Entering Gaussian System, Link 0=g16 Input=charges.com Output=charges.log Initial command: /home/rgalindo/g16/l1.exe "/home/rgalindo/tmp/Gau-1266351.inp" -scrdir="/home/rgalindo/tmp/" Entering Link 1 = /home/rgalindo/g16/l1.exe PID= 1266353. Copyright (c) 1988-2021, Gaussian, Inc. All Rights Reserved. This is part of the Gaussian(R) 16 program. It is based on the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.), the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.), the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.), the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.), the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.), the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.), the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.), the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon University), and the Gaussian 82(TM) system (copyright 1983, Carnegie Mellon University). Gaussian is a federally registered trademark of Gaussian, Inc. This software contains proprietary and confidential information, including trade secrets, belonging to Gaussian, Inc. This software is provided under written license and may be used, copied, transmitted, or stored only in accord with that written license. The following legend is applicable only to US Government contracts under FAR: RESTRICTED RIGHTS LEGEND Use, reproduction and disclosure by the US Government is subject to restrictions as set forth in subparagraphs (a) and (c) of the Commercial Computer Software - Restricted Rights clause in FAR 52.227-19. Gaussian, Inc. 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492 --------------------------------------------------------------- Warning -- This program may not be used in any manner that competes with the business of Gaussian, Inc. or will provide assistance to any competitor of Gaussian, Inc. The licensee of this program is prohibited from giving any competitor of Gaussian, Inc. access to this program. By using this program, the user acknowledges that Gaussian, Inc. is engaged in the business of creating and licensing software in the field of computational chemistry and represents and warrants to the licensee that it is not a competitor of Gaussian, Inc. and that it will not use this program in any manner prohibited above. --------------------------------------------------------------- Cite this work as: Gaussian 16, Revision C.02, M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2019. ****************************************** Gaussian 16: ES64L-G16RevC.02 7-Dec-2021 7-May-2024 ****************************************** %chk=gau.chk %mem=16GB %nprocshared=12 Will use up to 12 processors via shared memory. ------------------------------------------------------------ #HF/6-31G* SCF=tight Test Pop=MK iop(6/33=2) iop(6/42=6) opt ------------------------------------------------------------ 1/18=20,19=15,38=1/1,3; 2/9=110,12=2,17=6,18=5,40=1/2; 3/5=1,6=6,7=1,11=9,25=1,30=1,71=1/1,2,3; 4//1; 5/5=2,32=2,38=5/2; 6/7=2,8=2,9=2,10=2,15=8,20=1,28=1,33=2,42=6/1,2; 7//1,2,3,16; 1/18=20,19=15/3(2); 2/9=110/2; 99//99; 2/9=110/2; 3/5=1,6=6,7=1,11=9,25=1,30=1,71=1/1,2,3; 4/5=5,16=3,69=1/1; 5/5=2,32=2,38=5/2; 7//1,2,3,16; 1/18=20,19=15/3(-5); 2/9=110/2; 6/7=2,8=2,9=2,10=2,15=8,19=2,20=1,28=1,33=2,42=6/1,2; 99/9=1/99; --------------------- remark line goes here --------------------- Symbolic Z-matrix: Charge = 0 Multiplicity = 1 C 6.976 -5.016 2.03 C 7.152 -4.835 3.547 O 6.724 -6.396 1.771 N 2.714 -1.886 0.352 C 3.784 -2.651 0.765 N 4.965 -2.182 0.687 C 6.062 -2.942 1.1 O 7.204 -2.475 1.02 N 5.863 -4.225 1.601 C 4.573 -4.731 1.684 C 3.549 -3.986 1.284 H 7.893 -4.681 1.526 H 8.002 -5.441 3.89 H 7.341 -3.775 3.769 C 1.415 -2.388 0.432 H 2.87 -0.972 -0.004 H 4.405 -5.707 2.065 C 2.158 -4.532 1.374 H 6.237 -5.161 4.063 H 7.489 -6.935 2.09 O 0.473 -1.682 0.056 H 2.114 -5.474 0.81 O 1.156 -3.645 0.918 H 1.961 -4.82 2.416 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Initialization pass. ---------------------------- ! Initial Parameters ! ! (Angstroms and Degrees) ! -------------------------- -------------------------- ! Name Definition Value Derivative Info. ! -------------------------------------------------------------------------------- ! R1 R(1,2) 1.5379 estimate D2E/DX2 ! ! R2 R(1,3) 1.4265 estimate D2E/DX2 ! ! R3 R(1,9) 1.4313 estimate D2E/DX2 ! ! R4 R(1,12) 1.0987 estimate D2E/DX2 ! ! R5 R(2,13) 1.0988 estimate D2E/DX2 ! ! R6 R(2,14) 1.0994 estimate D2E/DX2 ! ! R7 R(2,19) 1.0999 estimate D2E/DX2 ! ! R8 R(3,20) 0.9887 estimate D2E/DX2 ! ! R9 R(4,5) 1.3787 estimate D2E/DX2 ! ! R10 R(4,15) 1.3949 estimate D2E/DX2 ! ! R11 R(4,16) 0.9932 estimate D2E/DX2 ! ! R12 R(5,6) 1.2731 estimate D2E/DX2 ! ! R13 R(5,11) 1.4515 estimate D2E/DX2 ! ! R14 R(6,7) 1.397 estimate D2E/DX2 ! ! R15 R(7,8) 1.2364 estimate D2E/DX2 ! ! R16 R(7,9) 1.3917 estimate D2E/DX2 ! ! R17 R(9,10) 1.3882 estimate D2E/DX2 ! ! R18 R(10,11) 1.328 estimate D2E/DX2 ! ! R19 R(10,17) 1.0611 estimate D2E/DX2 ! ! R20 R(11,18) 1.497 estimate D2E/DX2 ! ! R21 R(15,21) 1.2358 estimate D2E/DX2 ! ! R22 R(15,23) 1.3723 estimate D2E/DX2 ! ! R23 R(18,22) 1.0988 estimate D2E/DX2 ! ! R24 R(18,23) 1.4138 estimate D2E/DX2 ! ! R25 R(18,24) 1.0989 estimate D2E/DX2 ! ! A1 A(2,1,3) 108.2504 estimate D2E/DX2 ! ! A2 A(2,1,9) 108.64 estimate D2E/DX2 ! ! A3 A(2,1,12) 108.7293 estimate D2E/DX2 ! ! A4 A(3,1,9) 110.0502 estimate D2E/DX2 ! ! A5 A(3,1,12) 111.0459 estimate D2E/DX2 ! ! A6 A(9,1,12) 110.0616 estimate D2E/DX2 ! ! A7 A(1,2,13) 109.3623 estimate D2E/DX2 ! ! A8 A(1,2,14) 109.4115 estimate D2E/DX2 ! ! A9 A(1,2,19) 109.4317 estimate D2E/DX2 ! ! A10 A(13,2,14) 109.6171 estimate D2E/DX2 ! ! A11 A(13,2,19) 109.4888 estimate D2E/DX2 ! ! A12 A(14,2,19) 109.5156 estimate D2E/DX2 ! ! A13 A(1,3,20) 109.3975 estimate D2E/DX2 ! ! A14 A(5,4,15) 120.3896 estimate D2E/DX2 ! ! A15 A(5,4,16) 119.7428 estimate D2E/DX2 ! ! A16 A(15,4,16) 119.8676 estimate D2E/DX2 ! ! A17 A(4,5,6) 119.8148 estimate D2E/DX2 ! ! A18 A(4,5,11) 119.46 estimate D2E/DX2 ! ! A19 A(6,5,11) 120.7252 estimate D2E/DX2 ! ! A20 A(5,6,7) 120.6585 estimate D2E/DX2 ! ! A21 A(6,7,8) 120.0461 estimate D2E/DX2 ! ! A22 A(6,7,9) 119.7156 estimate D2E/DX2 ! ! A23 A(8,7,9) 120.2383 estimate D2E/DX2 ! ! A24 A(1,9,7) 120.4125 estimate D2E/DX2 ! ! A25 A(1,9,10) 120.2167 estimate D2E/DX2 ! ! A26 A(7,9,10) 119.3706 estimate D2E/DX2 ! ! A27 A(9,10,11) 119.6074 estimate D2E/DX2 ! ! A28 A(9,10,17) 120.2561 estimate D2E/DX2 ! ! A29 A(11,10,17) 120.1365 estimate D2E/DX2 ! ! A30 A(5,11,10) 119.9226 estimate D2E/DX2 ! ! A31 A(5,11,18) 120.4898 estimate D2E/DX2 ! ! A32 A(10,11,18) 119.5876 estimate D2E/DX2 ! ! A33 A(4,15,21) 119.1307 estimate D2E/DX2 ! ! A34 A(4,15,23) 121.7147 estimate D2E/DX2 ! ! A35 A(21,15,23) 119.1545 estimate D2E/DX2 ! ! A36 A(11,18,22) 108.6037 estimate D2E/DX2 ! ! A37 A(11,18,23) 114.2257 estimate D2E/DX2 ! ! A38 A(11,18,24) 108.613 estimate D2E/DX2 ! ! A39 A(22,18,23) 110.1165 estimate D2E/DX2 ! ! A40 A(22,18,24) 104.7649 estimate D2E/DX2 ! ! A41 A(23,18,24) 110.0735 estimate D2E/DX2 ! ! A42 A(15,23,18) 123.7202 estimate D2E/DX2 ! ! D1 D(3,1,2,13) 60.2929 estimate D2E/DX2 ! ! D2 D(3,1,2,14) -179.6316 estimate D2E/DX2 ! ! D3 D(3,1,2,19) -59.6379 estimate D2E/DX2 ! ! D4 D(9,1,2,13) 179.7795 estimate D2E/DX2 ! ! D5 D(9,1,2,14) -60.145 estimate D2E/DX2 ! ! D6 D(9,1,2,19) 59.8487 estimate D2E/DX2 ! ! D7 D(12,1,2,13) -60.4432 estimate D2E/DX2 ! ! D8 D(12,1,2,14) 59.6323 estimate D2E/DX2 ! ! D9 D(12,1,2,19) 179.626 estimate D2E/DX2 ! ! D10 D(2,1,3,20) -60.0905 estimate D2E/DX2 ! ! D11 D(9,1,3,20) -178.6853 estimate D2E/DX2 ! ! D12 D(12,1,3,20) 59.1947 estimate D2E/DX2 ! ! D13 D(2,1,9,7) 94.805 estimate D2E/DX2 ! ! D14 D(2,1,9,10) -85.0547 estimate D2E/DX2 ! ! D15 D(3,1,9,7) -146.8398 estimate D2E/DX2 ! ! D16 D(3,1,9,10) 33.3006 estimate D2E/DX2 ! ! D17 D(12,1,9,7) -24.1385 estimate D2E/DX2 ! ! D18 D(12,1,9,10) 156.0018 estimate D2E/DX2 ! ! D19 D(15,4,5,6) 179.993 estimate D2E/DX2 ! ! D20 D(15,4,5,11) 0.0443 estimate D2E/DX2 ! ! D21 D(16,4,5,6) -0.0391 estimate D2E/DX2 ! ! D22 D(16,4,5,11) -179.9877 estimate D2E/DX2 ! ! D23 D(5,4,15,21) 179.9605 estimate D2E/DX2 ! ! D24 D(5,4,15,23) -0.0033 estimate D2E/DX2 ! ! D25 D(16,4,15,21) -0.0074 estimate D2E/DX2 ! ! D26 D(16,4,15,23) -179.9712 estimate D2E/DX2 ! ! D27 D(4,5,6,7) -179.9761 estimate D2E/DX2 ! ! D28 D(11,5,6,7) -0.0281 estimate D2E/DX2 ! ! D29 D(4,5,11,10) 179.9783 estimate D2E/DX2 ! ! D30 D(4,5,11,18) -0.0815 estimate D2E/DX2 ! ! D31 D(6,5,11,10) 0.0301 estimate D2E/DX2 ! ! D32 D(6,5,11,18) 179.9703 estimate D2E/DX2 ! ! D33 D(5,6,7,8) -179.9555 estimate D2E/DX2 ! ! D34 D(5,6,7,9) 0.0428 estimate D2E/DX2 ! ! D35 D(6,7,9,1) -179.9184 estimate D2E/DX2 ! ! D36 D(6,7,9,10) -0.0576 estimate D2E/DX2 ! ! D37 D(8,7,9,1) 0.0799 estimate D2E/DX2 ! ! D38 D(8,7,9,10) 179.9407 estimate D2E/DX2 ! ! D39 D(1,9,10,11) 179.9208 estimate D2E/DX2 ! ! D40 D(1,9,10,17) -0.055 estimate D2E/DX2 ! ! D41 D(7,9,10,11) 0.0597 estimate D2E/DX2 ! ! D42 D(7,9,10,17) -179.9162 estimate D2E/DX2 ! ! D43 D(9,10,11,5) -0.0452 estimate D2E/DX2 ! ! D44 D(9,10,11,18) -179.9859 estimate D2E/DX2 ! ! D45 D(17,10,11,5) 179.9307 estimate D2E/DX2 ! ! D46 D(17,10,11,18) -0.0101 estimate D2E/DX2 ! ! D47 D(5,11,18,22) 123.4 estimate D2E/DX2 ! ! D48 D(5,11,18,23) 0.0744 estimate D2E/DX2 ! ! D49 D(5,11,18,24) -123.2023 estimate D2E/DX2 ! ! D50 D(10,11,18,22) -56.6596 estimate D2E/DX2 ! ! D51 D(10,11,18,23) -179.9852 estimate D2E/DX2 ! ! D52 D(10,11,18,24) 56.7381 estimate D2E/DX2 ! ! D53 D(4,15,23,18) -0.0002 estimate D2E/DX2 ! ! D54 D(21,15,23,18) -179.964 estimate D2E/DX2 ! ! D55 D(11,18,23,15) -0.0347 estimate D2E/DX2 ! ! D56 D(22,18,23,15) -122.5391 estimate D2E/DX2 ! ! D57 D(24,18,23,15) 122.4488 estimate D2E/DX2 ! -------------------------------------------------------------------------------- Trust Radius=3.00D-01 FncErr=1.00D-07 GrdErr=1.00D-07 EigMax=2.50D+02 EigMin=1.00D-04 Number of steps in this run= 134 maximum allowed number of steps= 144. GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.976000 -5.016000 2.030000 2 6 0 7.152000 -4.835000 3.547000 3 8 0 6.724000 -6.396000 1.771000 4 7 0 2.714000 -1.886000 0.352000 5 6 0 3.784000 -2.651000 0.765000 6 7 0 4.965000 -2.182000 0.687000 7 6 0 6.062000 -2.942000 1.100000 8 8 0 7.204000 -2.475000 1.020000 9 7 0 5.863000 -4.225000 1.601000 10 6 0 4.573000 -4.731000 1.684000 11 6 0 3.549000 -3.986000 1.284000 12 1 0 7.893000 -4.681000 1.526000 13 1 0 8.002000 -5.441000 3.890000 14 1 0 7.341000 -3.775000 3.769000 15 6 0 1.415000 -2.388000 0.432000 16 1 0 2.870000 -0.972000 -0.004000 17 1 0 4.405000 -5.707000 2.065000 18 6 0 2.158000 -4.532000 1.374000 19 1 0 6.237000 -5.161000 4.063000 20 1 0 7.489000 -6.935000 2.090000 21 8 0 0.473000 -1.682000 0.056000 22 1 0 2.114000 -5.474000 0.810000 23 8 0 1.156000 -3.645000 0.918000 24 1 0 1.961000 -4.820000 2.416000 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.537864 0.000000 3 O 1.426529 2.402932 0.000000 4 N 5.547723 6.212928 6.199497 0.000000 5 C 4.169210 4.883933 4.866278 1.378657 0.000000 6 N 3.725497 4.472245 4.693286 2.294960 1.273109 7 C 2.449851 3.280146 3.580307 3.589393 2.320817 8 O 2.743860 3.458039 4.021025 4.577471 3.434007 9 N 1.431255 2.412579 2.341679 4.116688 2.738360 10 C 2.444453 3.183210 2.721506 3.650223 2.406965 11 C 3.655372 4.338615 4.015706 2.444555 1.451486 12 H 1.098695 2.158063 2.089931 6.001028 4.645848 13 H 2.166310 1.098811 2.652446 7.288238 5.944851 14 H 2.167355 1.099366 3.352959 6.054200 4.789535 15 C 6.354896 6.971671 6.785460 1.394921 2.406703 16 H 6.111491 6.772584 6.886488 0.993211 2.060533 17 H 2.662470 3.240790 2.436990 4.515960 3.378576 18 C 4.886483 5.454702 4.947773 2.890491 2.559867 19 H 2.168003 1.099890 2.648709 6.075251 4.816027 20 H 1.987292 2.578065 0.988690 7.163356 5.816812 21 O 7.569758 8.169304 8.014863 2.269650 3.521983 22 H 5.033608 5.768963 4.798511 3.666539 3.280283 23 O 6.081824 6.654304 6.268830 2.416982 2.813864 24 H 5.033650 5.312802 5.058258 3.665441 3.279282 6 7 8 9 10 6 N 0.000000 7 C 1.396989 0.000000 8 O 2.282512 1.236387 0.000000 9 N 2.411566 1.391650 2.279987 0.000000 10 C 2.764973 2.399729 3.528823 1.388173 0.000000 11 C 2.369785 2.727446 3.963817 2.347809 1.328006 12 H 3.939810 2.560890 2.365839 2.081937 3.324134 13 H 5.486680 4.218140 4.203672 3.360580 4.138669 14 H 4.204967 3.074620 3.043973 2.662181 3.594855 15 C 3.565103 4.727341 5.819436 4.952356 4.126756 16 H 2.516070 3.910061 4.700121 4.702774 4.458658 17 H 3.825978 3.364833 4.401392 2.130114 1.061113 18 C 3.724744 4.224262 5.460648 3.724621 2.442934 19 H 4.678654 3.705935 4.172473 2.660341 2.934866 20 H 5.561474 4.354363 4.595403 3.197983 3.677704 21 O 4.563576 5.823612 6.845766 6.156783 5.362535 22 H 4.356672 4.699131 5.911531 4.029973 2.713412 23 O 4.086834 4.959452 6.160975 4.791528 3.666339 24 H 4.355743 4.698611 5.910744 4.030366 2.714091 11 12 13 14 15 11 C 0.000000 12 H 4.405897 0.000000 13 H 5.360734 2.485554 0.000000 14 H 4.538613 2.481247 1.796418 0.000000 15 C 2.798833 6.958388 8.041588 6.940952 0.000000 16 H 3.347265 6.428694 7.840448 6.487078 2.076578 17 H 2.074738 3.675506 4.042251 3.905936 4.756317 18 C 1.497029 5.738949 6.427198 5.759563 2.456858 19 H 4.040892 3.067426 1.795426 1.796176 6.642693 20 H 4.986967 2.358353 2.394829 3.581417 7.766444 21 O 4.034622 8.137033 9.247458 8.083096 1.235790 22 H 2.120859 5.876933 6.645001 6.242100 3.186672 23 O 2.444726 6.843254 7.676335 6.811705 1.372343 24 H 2.121020 6.000004 6.249160 5.645089 3.185749 16 17 18 19 20 16 H 0.000000 17 H 5.390474 0.000000 18 C 3.883224 2.628139 0.000000 19 H 6.739800 2.765202 4.925911 0.000000 20 H 7.827986 3.319588 5.891233 2.933822 0.000000 21 O 2.500662 5.974724 3.563544 7.834742 8.997523 22 H 4.637040 2.622593 1.098816 5.261094 5.715203 23 O 3.306480 4.015402 1.413757 6.164888 7.232190 24 H 4.635708 2.623567 1.098871 4.594896 5.927755 21 22 23 24 21 O 0.000000 22 H 4.200079 0.000000 23 O 2.250089 2.067527 0.000000 24 H 4.198903 1.740793 2.067040 0.000000 Stoichiometry C8H9N3O4 Framework group C1[X(C8H9N3O4)] Deg. of freedom 66 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 3.014368 -0.223463 -0.170139 2 6 0 3.520158 -0.418422 1.269025 3 8 0 3.230673 -1.437111 -0.887953 4 7 0 -2.387594 1.028154 0.001602 5 6 0 -1.041376 0.733971 -0.041396 6 7 0 -0.188502 1.677815 -0.092082 7 6 0 1.179823 1.399836 -0.136723 8 8 0 1.998282 2.325284 -0.184935 9 7 0 1.615971 0.078335 -0.126625 10 6 0 0.681448 -0.946649 -0.070950 11 6 0 -0.612973 -0.652802 -0.029387 12 1 0 3.565601 0.609368 -0.628031 13 1 0 4.593046 -0.654861 1.249217 14 1 0 3.356292 0.505290 1.842181 15 6 0 -3.332407 0.003437 0.057171 16 1 0 -2.685422 1.975624 -0.006601 17 1 0 0.998455 -1.959257 -0.061224 18 6 0 -1.620384 -1.758504 0.030967 19 1 0 2.970663 -1.246083 1.741032 20 1 0 4.196732 -1.647355 -0.893934 21 8 0 -4.533030 0.293605 0.095691 22 1 0 -1.465478 -2.421331 -0.831623 23 8 0 -2.963250 -1.318251 0.070908 24 1 0 -1.402355 -2.384160 0.907628 --------------------------------------------------------------------- Rotational constants (GHZ): 1.4135913 0.3591175 0.3015394 Standard basis: 6-31G(d) (6D, 7F) There are 243 symmetry adapted cartesian basis functions of A symmetry. There are 243 symmetry adapted basis functions of A symmetry. 243 basis functions, 456 primitive gaussians, 243 cartesian basis functions 55 alpha electrons 55 beta electrons nuclear repulsion energy 1015.9349018480 Hartrees. NAtoms= 24 NActive= 24 NUniq= 24 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. One-electron integrals computed using PRISM. NBasis= 243 RedAO= T EigKep= 8.57D-04 NBF= 243 NBsUse= 243 1.00D-06 EigRej= -1.00D+00 NBFU= 243 ExpMin= 1.61D-01 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn= 5 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 5 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 5 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -770.990873643 A.U. after 16 cycles NFock= 16 Conv=0.24D-08 -V/T= 2.0028 SCF density gives NOpUse= 1 NOpAll= 1. ********************************************************************** Population analysis using the SCF Density. ********************************************************************** Orbital symmetries: BldTbl: Degeneracy threshold= 1.00D-02 Occupied (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) Virtual (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) The electronic state is 1-A. Alpha occ. eigenvalues -- -20.64636 -20.60316 -20.55365 -20.52768 -15.65156 Alpha occ. eigenvalues -- -15.64934 -15.57541 -11.44894 -11.39771 -11.37880 Alpha occ. eigenvalues -- -11.35331 -11.33905 -11.33677 -11.27559 -11.24559 Alpha occ. eigenvalues -- -1.48449 -1.41830 -1.38876 -1.37252 -1.32735 Alpha occ. eigenvalues -- -1.29326 -1.22360 -1.13155 -1.03991 -0.98892 Alpha occ. eigenvalues -- -0.94283 -0.92580 -0.88324 -0.82364 -0.79019 Alpha occ. eigenvalues -- -0.77573 -0.73696 -0.71667 -0.71359 -0.70367 Alpha occ. eigenvalues -- -0.67684 -0.66408 -0.64771 -0.62970 -0.62392 Alpha occ. eigenvalues -- -0.61524 -0.60830 -0.58320 -0.57185 -0.55294 Alpha occ. eigenvalues -- -0.54125 -0.53137 -0.49980 -0.47262 -0.47083 Alpha occ. eigenvalues -- -0.46669 -0.45159 -0.43834 -0.40777 -0.35000 Alpha virt. eigenvalues -- 0.07652 0.14179 0.18375 0.20921 0.21869 Alpha virt. eigenvalues -- 0.22734 0.24778 0.25662 0.27454 0.27918 Alpha virt. eigenvalues -- 0.29611 0.30287 0.30677 0.34598 0.35314 Alpha virt. eigenvalues -- 0.37090 0.38403 0.39432 0.41659 0.42176 Alpha virt. eigenvalues -- 0.43556 0.48894 0.49945 0.50334 0.51927 Alpha virt. eigenvalues -- 0.54376 0.55012 0.64713 0.65828 0.66070 Alpha virt. eigenvalues -- 0.68059 0.69614 0.70418 0.73342 0.75207 Alpha virt. eigenvalues -- 0.75377 0.76431 0.77937 0.79769 0.80681 Alpha virt. eigenvalues -- 0.82062 0.84618 0.85231 0.87411 0.87829 Alpha virt. eigenvalues -- 0.89287 0.90323 0.91495 0.95411 0.96682 Alpha virt. eigenvalues -- 0.97719 1.00328 1.02385 1.03143 1.03972 Alpha virt. eigenvalues -- 1.05196 1.06441 1.07491 1.09055 1.10356 Alpha virt. eigenvalues -- 1.11094 1.12609 1.13108 1.13797 1.15045 Alpha virt. eigenvalues -- 1.16507 1.19057 1.19675 1.20268 1.22034 Alpha virt. eigenvalues -- 1.23851 1.26298 1.28397 1.30136 1.30603 Alpha virt. eigenvalues -- 1.31318 1.34223 1.35623 1.36145 1.38266 Alpha virt. eigenvalues -- 1.41082 1.41608 1.42875 1.44047 1.46901 Alpha virt. eigenvalues -- 1.49408 1.50161 1.53738 1.59368 1.61008 Alpha virt. eigenvalues -- 1.62259 1.64097 1.65178 1.67892 1.68122 Alpha virt. eigenvalues -- 1.69844 1.73140 1.74318 1.78523 1.79428 Alpha virt. eigenvalues -- 1.81740 1.86766 1.91566 1.93485 1.93934 Alpha virt. eigenvalues -- 1.99103 2.00942 2.02099 2.02702 2.04799 Alpha virt. eigenvalues -- 2.06570 2.09679 2.09837 2.10842 2.11796 Alpha virt. eigenvalues -- 2.13416 2.14832 2.15387 2.16727 2.18325 Alpha virt. eigenvalues -- 2.20102 2.21093 2.23695 2.25600 2.26649 Alpha virt. eigenvalues -- 2.28579 2.30051 2.33360 2.36887 2.37271 Alpha virt. eigenvalues -- 2.41053 2.42978 2.46296 2.47416 2.49496 Alpha virt. eigenvalues -- 2.51076 2.52302 2.53793 2.55730 2.57610 Alpha virt. eigenvalues -- 2.58442 2.59899 2.64787 2.67543 2.70074 Alpha virt. eigenvalues -- 2.72056 2.75900 2.77504 2.81044 2.82789 Alpha virt. eigenvalues -- 2.84045 2.89010 2.89879 2.91828 2.94608 Alpha virt. eigenvalues -- 2.98213 3.01219 3.02530 3.02933 3.04334 Alpha virt. eigenvalues -- 3.05283 3.12689 3.15569 3.19463 3.22396 Alpha virt. eigenvalues -- 3.28199 3.30339 3.34349 3.36844 3.50973 Alpha virt. eigenvalues -- 3.56499 3.76496 3.85924 4.19648 4.37351 Alpha virt. eigenvalues -- 4.41864 4.46116 4.48507 4.57332 4.60829 Alpha virt. eigenvalues -- 4.64090 4.70774 4.75828 4.80404 4.92234 Alpha virt. eigenvalues -- 4.95602 5.04276 5.09734 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 C 4.608617 0.380146 0.207975 0.000007 0.000073 0.003032 2 C 0.380146 5.188413 -0.067128 -0.000000 0.000068 -0.000251 3 O 0.207975 -0.067128 8.430776 -0.000000 0.000012 -0.000025 4 N 0.000007 -0.000000 -0.000000 7.389812 0.247494 -0.084660 5 C 0.000073 0.000068 0.000012 0.247494 4.214846 0.549141 6 N 0.003032 -0.000251 -0.000025 -0.084660 0.549141 7.091827 7 C -0.020316 -0.001383 0.000937 0.002013 -0.041786 0.407837 8 O 0.004092 -0.001334 0.000137 -0.000019 0.000386 -0.081738 9 N 0.192436 -0.089999 -0.044852 -0.000246 -0.004994 -0.110347 10 C -0.027564 -0.002974 -0.001240 0.002645 -0.040806 -0.024907 11 C 0.001384 -0.000376 0.000281 -0.076913 0.393926 -0.064624 12 H 0.419604 -0.052138 -0.029668 0.000000 -0.000038 0.000268 13 H -0.039046 0.384148 0.000743 0.000000 -0.000000 0.000002 14 H -0.030584 0.375018 0.003386 0.000000 -0.000013 -0.000009 15 C -0.000000 -0.000000 0.000000 0.277979 -0.029633 0.000094 16 H -0.000000 0.000000 0.000000 0.305473 -0.011644 0.004881 17 H -0.001622 -0.000167 0.006770 -0.000074 0.002221 -0.000391 18 C -0.000042 -0.000002 -0.000019 0.003487 -0.023949 0.004148 19 H -0.029771 0.378152 0.000341 -0.000000 -0.000002 -0.000009 20 H -0.022260 -0.000519 0.260445 0.000000 -0.000000 0.000002 21 O 0.000000 0.000000 -0.000000 -0.090205 0.001820 -0.000039 22 H 0.000003 0.000001 -0.000002 -0.000249 0.000736 -0.000048 23 O 0.000000 -0.000000 -0.000000 -0.082557 0.000021 0.000039 24 H -0.000006 -0.000001 0.000000 -0.000252 0.000790 -0.000046 7 8 9 10 11 12 1 C -0.020316 0.004092 0.192436 -0.027564 0.001384 0.419604 2 C -0.001383 -0.001334 -0.089999 -0.002974 -0.000376 -0.052138 3 O 0.000937 0.000137 -0.044852 -0.001240 0.000281 -0.029668 4 N 0.002013 -0.000019 -0.000246 0.002645 -0.076913 0.000000 5 C -0.041786 0.000386 -0.004994 -0.040806 0.393926 -0.000038 6 N 0.407837 -0.081738 -0.110347 -0.024907 -0.064624 0.000268 7 C 3.869080 0.604667 0.247868 -0.038286 -0.014173 -0.002818 8 O 0.604667 8.206653 -0.108239 0.001067 0.000401 0.008944 9 N 0.247868 -0.108239 7.497120 0.288742 -0.037334 -0.043898 10 C -0.038286 0.001067 0.288742 4.694628 0.615185 0.003845 11 C -0.014173 0.000401 -0.037334 0.615185 5.316158 0.000090 12 H -0.002818 0.008944 -0.043898 0.003845 0.000090 0.458337 13 H 0.000044 -0.000015 0.005551 -0.000071 0.000003 -0.001290 14 H 0.001290 0.002473 -0.001969 0.000331 0.000015 0.000124 15 C -0.000032 0.000000 0.000005 0.000303 -0.001965 0.000000 16 H -0.000024 -0.000012 0.000015 0.000010 0.004230 -0.000000 17 H 0.000567 -0.000062 -0.027934 0.390661 -0.041464 0.000187 18 C 0.000597 0.000003 0.001571 -0.049330 0.282043 0.000000 19 H 0.000057 -0.000012 -0.004686 0.002662 0.000170 0.003553 20 H 0.000018 0.000009 0.004846 -0.000041 0.000010 -0.002282 21 O 0.000000 -0.000000 0.000000 -0.000002 -0.000086 0.000000 22 H -0.000008 -0.000000 0.000060 -0.003858 -0.055183 -0.000000 23 O 0.000005 0.000000 -0.000026 0.002898 -0.017797 -0.000000 24 H -0.000011 -0.000000 0.000069 -0.004150 -0.056006 0.000000 13 14 15 16 17 18 1 C -0.039046 -0.030584 -0.000000 -0.000000 -0.001622 -0.000042 2 C 0.384148 0.375018 -0.000000 0.000000 -0.000167 -0.000002 3 O 0.000743 0.003386 0.000000 0.000000 0.006770 -0.000019 4 N 0.000000 0.000000 0.277979 0.305473 -0.000074 0.003487 5 C -0.000000 -0.000013 -0.029633 -0.011644 0.002221 -0.023949 6 N 0.000002 -0.000009 0.000094 0.004881 -0.000391 0.004148 7 C 0.000044 0.001290 -0.000032 -0.000024 0.000567 0.000597 8 O -0.000015 0.002473 0.000000 -0.000012 -0.000062 0.000003 9 N 0.005551 -0.001969 0.000005 0.000015 -0.027934 0.001571 10 C -0.000071 0.000331 0.000303 0.000010 0.390661 -0.049330 11 C 0.000003 0.000015 -0.001965 0.004230 -0.041464 0.282043 12 H -0.001290 0.000124 0.000000 -0.000000 0.000187 0.000000 13 H 0.533673 -0.019314 0.000000 -0.000000 -0.000013 0.000000 14 H -0.019314 0.492441 0.000000 0.000000 -0.000009 0.000000 15 C 0.000000 0.000000 3.806657 -0.008138 0.000010 -0.018390 16 H -0.000000 0.000000 -0.008138 0.254879 0.000002 -0.000378 17 H -0.000013 -0.000009 0.000010 0.000002 0.390553 -0.000403 18 C 0.000000 0.000000 -0.018390 -0.000378 -0.000403 4.735468 19 H -0.024320 -0.022307 0.000000 -0.000000 0.000567 -0.000006 20 H 0.001740 0.000037 -0.000000 -0.000000 -0.000161 0.000000 21 O -0.000000 -0.000000 0.623996 0.002777 -0.000000 0.001462 22 H -0.000000 0.000000 0.000809 0.000011 0.000737 0.410330 23 O 0.000000 -0.000000 0.288763 0.001453 0.000017 0.178396 24 H 0.000000 -0.000000 0.000807 0.000011 0.000670 0.410645 19 20 21 22 23 24 1 C -0.029771 -0.022260 0.000000 0.000003 0.000000 -0.000006 2 C 0.378152 -0.000519 0.000000 0.000001 -0.000000 -0.000001 3 O 0.000341 0.260445 -0.000000 -0.000002 -0.000000 0.000000 4 N -0.000000 0.000000 -0.090205 -0.000249 -0.082557 -0.000252 5 C -0.000002 -0.000000 0.001820 0.000736 0.000021 0.000790 6 N -0.000009 0.000002 -0.000039 -0.000048 0.000039 -0.000046 7 C 0.000057 0.000018 0.000000 -0.000008 0.000005 -0.000011 8 O -0.000012 0.000009 -0.000000 -0.000000 0.000000 -0.000000 9 N -0.004686 0.004846 0.000000 0.000060 -0.000026 0.000069 10 C 0.002662 -0.000041 -0.000002 -0.003858 0.002898 -0.004150 11 C 0.000170 0.000010 -0.000086 -0.055183 -0.017797 -0.056006 12 H 0.003553 -0.002282 0.000000 -0.000000 -0.000000 0.000000 13 H -0.024320 0.001740 -0.000000 -0.000000 0.000000 0.000000 14 H -0.022307 0.000037 -0.000000 0.000000 -0.000000 -0.000000 15 C 0.000000 -0.000000 0.623996 0.000809 0.288763 0.000807 16 H -0.000000 -0.000000 0.002777 0.000011 0.001453 0.000011 17 H 0.000567 -0.000161 -0.000000 0.000737 0.000017 0.000670 18 C -0.000006 0.000000 0.001462 0.410330 0.178396 0.410645 19 H 0.532930 -0.000184 -0.000000 0.000000 -0.000000 -0.000000 20 H -0.000184 0.298791 0.000000 0.000000 0.000000 -0.000000 21 O -0.000000 0.000000 8.128336 -0.000010 -0.071776 -0.000010 22 H 0.000000 0.000000 -0.000010 0.524871 -0.033191 -0.046215 23 O -0.000000 0.000000 -0.071776 -0.033191 8.408304 -0.033565 24 H -0.000000 -0.000000 -0.000010 -0.046215 -0.033565 0.530667 Mulliken charges: 1 1 C 0.353844 2 C -0.489675 3 O -0.768871 4 N -0.893734 5 C 0.741330 6 N -0.694176 7 C 0.983856 8 O -0.637400 9 N -0.763759 10 C 0.190252 11 C -0.247975 12 H 0.237179 13 H 0.158165 14 H 0.199091 15 C 1.058733 16 H 0.446455 17 H 0.279340 18 C 0.064369 19 H 0.162865 20 H 0.459549 21 O -0.596263 22 H 0.201207 23 O -0.640985 24 H 0.196603 Sum of Mulliken charges = -0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 C 0.591023 2 C 0.030447 3 O -0.309322 4 N -0.447279 5 C 0.741330 6 N -0.694176 7 C 0.983856 8 O -0.637400 9 N -0.763759 10 C 0.469592 11 C -0.247975 15 C 1.058733 18 C 0.462179 21 O -0.596263 23 O -0.640985 DipInt: DoE/N= T F RetVal/Mat= T F Init=T NMatP= 1 IDeriv=0 Min/MaxMlt= 0 4 Entering OneElI... OneElI was handed 2147329804 working-precision words. Multipole integrals L=0 to 4 MinM= 0 MaxM= 0. Requested accuracy = 0.1000D-12 ShPair: Thresh= 1.00D-13 NBox= 0 BxSize= 0.00D+00 RnKept= 1.75D+01 NSMCal= 3081 NSMKep= 2606 PrmmSu-InSpLW: IPartL= 0 NPrtUS= 1 NPrtUL= 1 DoSpLW=F IThBeg= 0 IThEnd= 0 NThAct= 1. PrSmSu: IncTry= 512 NBBP= 2606 NTPThr= 100 NPartT= 1 Incr= 26 LDynOK=F GPUOK=F. PrsmSu: NPrtUS= 1 ThrOK=F IAlg=2 LenDen= 0 ISkipM=0 DoSpLW=F IThBeg= 0 IThEnd= 0. Prism: IPart= 0 DynPar=F LinDyn=F Incr= 26. PRISM was handed 2147086005 working-precision words and 2606 shell-pairs IPart= 0 NShTot= 2606 NBatch= 51 AvBLen= 51.1 PrsmSu-ThDecC: IPartSL= 0 0 NPrtUSL= 1 1 IThBeg= 0 IThEnd= 0 CPU= -1 GPU= -1 NThAct= 1. PrSmSu: NxtVal= 27. Electronic moments (au): -110.00000000 1.99748942 -2.10736758 0.30713035 -2657.12133625 -672.36809682 -162.24741374 -10.13420109 1.43609071 0.02123811 2004.46460004 -360.53092393 -132.99359453 -432.60452347 940.31456153 -452.18093834 -582.34727784 136.66893295 156.40083595 -95.30424542 -120249.98478996 -9354.31988494 -1133.51201775 6808.66731436 -1279.65135646 -2880.31054977 91.87139025 -885.07422091 23.72823443 -11346.34178060 -5498.84144174 -887.68239274 -543.70008780 809.19109668 678.05284401 Electronic spatial extent (au): = 3491.7368 DipInt: DoE/N= F T RetVal/Mat= T F Init=T NMatP= 1 IDeriv=0 Min/MaxMlt= 0 4 Nuclear moments (au): 110.00000000 0.00000000 0.00000000 0.00000000 2583.64360858 603.35355186 98.50382913 -0.00000000 0.00000000 0.00000000 -1670.50868773 299.86368144 129.85910720 393.15124054 -968.82974253 436.72231012 576.32451451 -135.75838633 -153.15436716 97.04762980 110575.55658019 7021.46415705 582.09181966 -7277.69132849 1150.32667668 2626.13435179 -64.24041069 845.75485356 -16.34894219 9514.44049529 3964.83929570 434.00058774 588.44599587 -814.36115752 -660.04586213 Total moments (au): -0.00000000 1.99748942 -2.10736758 0.30713035 -73.47772767 -69.01454496 -63.74358461 -10.13420109 1.43609071 0.02123811 333.95591231 -60.66724250 -3.13448734 -39.45328293 -28.51518100 -15.45862823 -6.02276333 0.91054662 3.24646879 1.74338438 -9674.42820977 -2332.85572789 -551.42019808 -469.02401413 -129.32467977 -254.17619798 27.63097956 -39.31936735 7.37929224 -1831.90128531 -1534.00214604 -453.68180500 44.74590806 -5.17006084 18.00698189 Traceless Quadrup. (au): -4.73244193 -0.26925921 5.00170114 -10.13420109 1.43609071 0.02123811 Charge= -0.0000 electrons Dipole moment (field-independent basis, Debye): X= 5.0771 Y= -5.3564 Z= 0.7806 Tot= 7.4214 Quadrupole moment (field-independent basis, Debye-Ang): XX= -98.8301 YY= -92.8269 ZZ= -85.7373 XY= -13.6308 XZ= 1.9316 YZ= 0.0286 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= -6.3653 YY= -0.3622 ZZ= 6.7275 XY= -13.6308 XZ= 1.9316 YZ= 0.0286 Octapole moment (field-independent basis, Debye-Ang**2): XXX= 237.6970 YYY= -43.1806 ZZZ= -2.2310 XYY= -28.0813 XXY= -20.2960 XXZ= -11.0029 XZZ= -4.2868 YZZ= 0.6481 YYZ= 2.3107 XYZ= 1.2409 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -3643.8536 YYYY= -878.6653 ZZZZ= -207.6913 XXXY= -176.6569 XXXZ= -48.7099 YYYX= -95.7349 YYYZ= 10.4072 ZZZX= -14.8096 ZZZY= 2.7794 XXYY= -689.9819 XXZZ= -577.7788 YYZZ= -170.8783 XXYZ= 16.8535 YYXZ= -1.9473 ZZXY= 6.7823 N-N= 1.015934901848D+03 E-N=-3.839732049355D+03 KE= 7.688163757811D+02 Entering OneElI... OneElI was handed 2147358583 working-precision words. Calculate electrostatic properties NBasis = 243 MinDer = 0 MaxDer = 0 NGrid = 24 NMatD = 1 Requested accuracy = 0.1000D-12 PrtBox: NBox= 1 Levels= 1 BoxLen= 29.89 SMaxX= 17.25 Shift= 8.566185 4.575653 1.689291 Box 1 Number 0 centers from 1 to 78: ShPair: Thresh= 1.00D-13 NBox= 1 BxSize= 2.99D+01 RnKept= 1.54D+01 NSMCal= 3081 NSMKep= 2404 PrmmSu-InSpLW: IPartL= 0 NPrtUS= 12 NPrtUL= 1 DoSpLW=F IThBeg= 0 IThEnd= 11 NThAct= 12. PrSmSu: IncTry= 512 NBBP= 57696 NTPThr= 100 NPartT= 12 Incr= 48 LDynOK=F GPUOK=F. PrsmSu: NPrtUS= 12 ThrOK=T IAlg=2 LenDen= 0 ISkipM=0 DoSpLW=F IThBeg= 0 IThEnd= 11. Prism: IPart= 0 DynPar=F LinDyn=F Incr= 48. PRISM was handed 178855739 working-precision words and 2404 shell-pairs PRISM was handed 178855739 working-precision words and 2404 shell-pairs PRISM was handed 178855739 working-precision words and 2404 shell-pairs PRISM was handed 178855739 working-precision words and 2404 shell-pairs PRISM was handed 178855739 working-precision words and 2404 shell-pairs PRISM was handed 178855739 working-precision words and 2404 shell-pairs PRISM was handed 178855739 working-precision words and 2404 shell-pairs PRISM was handed 178855739 working-precision words and 2404 shell-pairs PRISM was handed 178855739 working-precision words and 2404 shell-pairs PRISM was handed 178855739 working-precision words and 2404 shell-pairs PRISM was handed 178855739 working-precision words and 2404 shell-pairs PRISM was handed 178855739 working-precision words and 2404 shell-pairs IPart= 0 NShTot= 5328 NBatch= 222 AvBLen= 24.0 PrsmSu-ThDecC: IPartSL= 0 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 12. IPart= 5 NShTot= 4848 NBatch= 202 AvBLen= 24.0 PrsmSu-ThDecC: IPartSL= 5 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 11. IPart= 6 NShTot= 4824 NBatch= 201 AvBLen= 24.0 IPart= 7 NShTot= 4728 NBatch= 197 AvBLen= 24.0 PrsmSu-ThDecC: IPartSL= 6 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 10. PrsmSu-ThDecC: IPartSL= 7 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 9. IPart= 11 NShTot= 4296 NBatch= 179 AvBLen= 24.0 PrsmSu-ThDecC: IPartSL= 11 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 8. IPart= 10 NShTot= 4392 NBatch= 183 AvBLen= 24.0 PrsmSu-ThDecC: IPartSL= 10 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 7. IPart= 9 NShTot= 4488 NBatch= 187 AvBLen= 24.0 PrsmSu-ThDecC: IPartSL= 9 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 6. IPart= 8 NShTot= 4560 NBatch= 190 AvBLen= 24.0 PrsmSu-ThDecC: IPartSL= 8 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 5. IPart= 4 NShTot= 4896 NBatch= 204 AvBLen= 24.0 PrsmSu-ThDecC: IPartSL= 4 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 4. IPart= 3 NShTot= 5016 NBatch= 209 AvBLen= 24.0 PrsmSu-ThDecC: IPartSL= 3 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 3. IPart= 2 NShTot= 5088 NBatch= 212 AvBLen= 24.0 PrsmSu-ThDecC: IPartSL= 2 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 2. IPart= 1 NShTot= 5232 NBatch= 218 AvBLen= 24.0 PrsmSu-ThDecC: IPartSL= 1 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 1. PrSmSu: NxtVal= 577. -------------------------------------------------------- Center ---- EFG at Nuclei ---- 3XX-RR 3YY-RR 3ZZ-RR -------------------------------------------------------- 1 Atom -0.121470 -0.048209 0.169679 2 Atom -0.006253 0.026751 -0.020499 3 Atom -0.918775 -0.357839 1.276615 4 Atom -0.516438 -0.445981 0.962419 5 Atom 0.136273 0.345924 -0.482197 6 Atom -0.526416 0.809628 -0.283212 7 Atom 0.278469 0.159615 -0.438084 8 Atom 0.516766 0.068757 -0.585523 9 Atom -0.439013 -0.437240 0.876254 10 Atom 0.229382 0.159232 -0.388614 11 Atom 0.081760 -0.041629 -0.040131 12 Atom 0.020627 -0.084921 0.064293 13 Atom -0.268235 0.131269 0.136966 14 Atom 0.133470 -0.154862 0.021392 15 Atom 0.396090 0.017940 -0.414030 16 Atom 0.125548 -0.378854 0.253306 17 Atom 0.114818 -0.296794 0.181976 18 Atom -0.369062 0.104797 0.264265 19 Atom 0.033119 -0.097401 0.064282 20 Atom -0.364797 0.157111 0.207686 21 Atom -0.900096 1.505968 -0.605872 22 Atom 0.117582 -0.004347 -0.113235 23 Atom -0.536904 -0.990355 1.527259 24 Atom 0.110170 0.012742 -0.122913 -------------------------------------------------------- XY XZ YZ -------------------------------------------------------- 1 Atom 0.168769 0.020932 -0.279998 2 Atom 0.005313 -0.006018 0.032526 3 Atom 0.882077 0.209008 -1.251903 4 Atom -0.069920 0.055342 0.031347 5 Atom 0.084476 -0.025849 -0.021252 6 Atom -0.301538 0.015720 -0.012708 7 Atom 0.147773 -0.033633 -0.006461 8 Atom -1.367494 0.010624 0.025315 9 Atom -0.047461 0.072697 0.036387 10 Atom -0.190992 -0.016907 -0.000856 11 Atom 0.000160 -0.004191 0.000053 12 Atom -0.148121 0.088095 0.126369 13 Atom 0.093818 0.009138 -0.002699 14 Atom 0.054424 0.029476 -0.187546 15 Atom -0.017888 -0.029547 -0.008272 16 Atom 0.181335 0.001007 0.006057 17 Atom 0.139583 -0.004652 0.006746 18 Atom 0.173118 0.018861 -0.000845 19 Atom -0.165526 0.086919 0.140535 20 Atom 0.117261 -0.003526 -0.025453 21 Atom 0.695220 -0.003063 -0.069165 22 Atom 0.034745 0.041281 -0.199922 23 Atom 1.124234 0.051937 0.011239 24 Atom 0.046926 -0.060435 0.192071 -------------------------------------------------------- --------------------------------------------------------------------------------- Nuclear Quadrupole Coupling Constant in Principal Axis System --------------------------------------------------------------------------------- Atom a.u. MegaHertz Gauss 10(-4) cm-1 Axes Baa -0.5622 2.700 0.963 0.901 0.8510 0.5235 -0.0417 4 N(14) Bbb -0.4029 1.935 0.690 0.645 -0.5238 0.8518 0.0017 Bcc 0.9651 -4.635 -1.654 -1.546 0.0364 0.0204 0.9991 Baa -0.5918 2.842 1.014 0.948 0.9769 0.2098 -0.0411 6 N(14) Bbb -0.2829 1.359 0.485 0.453 0.0373 0.0219 0.9991 Bcc 0.8747 -4.201 -1.499 -1.401 -0.2105 0.9775 -0.0136 Baa -0.4900 2.353 0.840 0.785 0.7224 0.6891 -0.0568 9 N(14) Bbb -0.3911 1.878 0.670 0.627 -0.6893 0.7242 0.0187 Bcc 0.8811 -4.232 -1.510 -1.412 0.0540 0.0256 0.9982 --------------------------------------------------------------------------------- No NMR shielding tensors so no spin-rotation constants. Leave Link 601 at Tue May 7 07:20:29 2024, MaxMem= 2147483648 cpu: 1.2 elap: 0.1 FitSet: NAtFit= 24 NAtPot= 24 NAtFrz= 0 MDM= 28 TotChg= 0.00000 Merz-Kollman atomic radii used. Atom Element Radius 1 6 1.50 2 6 1.50 3 8 1.40 4 7 1.50 5 6 1.50 6 7 1.50 7 6 1.50 8 8 1.40 9 7 1.50 10 6 1.50 11 6 1.50 12 1 1.20 13 1 1.20 14 1 1.20 15 6 1.50 16 1 1.20 17 1 1.20 18 6 1.50 19 1 1.20 20 1 1.20 21 8 1.40 22 1 1.20 23 8 1.40 24 1 1.20 Generate VDW surfaces: Layer= 4 Dens= 6 Start= 1.400 Inc= 0.200 ********************************************************************** Electrostatic Properties Using The SCF Density. ********************************************************************** Atomic Center 1 is at 3.014368 -0.223463 -0.170139 Atomic Center 2 is at 3.520158 -0.418422 1.269025 Atomic Center 3 is at 3.230673 -1.437111 -0.887953 Atomic Center 4 is at -2.387594 1.028154 0.001602 Atomic Center 5 is at -1.041376 0.733971 -0.041396 Atomic Center 6 is at -0.188502 1.677815 -0.092082 Atomic Center 7 is at 1.179823 1.399836 -0.136723 Atomic Center 8 is at 1.998282 2.325284 -0.184935 Atomic Center 9 is at 1.615971 0.078335 -0.126625 Atomic Center 10 is at 0.681448 -0.946649 -0.070950 Atomic Center 11 is at -0.612973 -0.652802 -0.029387 Atomic Center 12 is at 3.565601 0.609368 -0.628031 Atomic Center 13 is at 4.593046 -0.654861 1.249217 Atomic Center 14 is at 3.356292 0.505290 1.842181 Atomic Center 15 is at -3.332407 0.003437 0.057171 Atomic Center 16 is at -2.685422 1.975624 -0.006601 Atomic Center 17 is at 0.998455 -1.959257 -0.061224 Atomic Center 18 is at -1.620384 -1.758504 0.030967 Atomic Center 19 is at 2.970663 -1.246083 1.741032 Atomic Center 20 is at 4.196732 -1.647355 -0.893934 Atomic Center 21 is at -4.533030 0.293605 0.095691 Atomic Center 22 is at -1.465478 -2.421331 -0.831623 Atomic Center 23 is at -2.963250 -1.318251 0.070908 Atomic Center 24 is at -1.402355 -2.384160 0.907628 ESP Fit Center 25 is at 5.074017 -0.223463 -0.579829 ESP Fit Center 26 is at 2.612550 0.472505 -2.110286 ESP Fit Center 27 is at 2.318399 0.178354 -2.110286 ESP Fit Center 28 is at 3.219213 0.131338 -2.229789 ESP Fit Center 29 is at 2.809523 0.131338 -2.229789 ESP Fit Center 30 is at 3.520158 -0.418422 3.369025 ESP Fit Center 31 is at 3.929848 -0.418422 3.328674 ESP Fit Center 32 is at 3.110468 -0.418422 3.328674 ESP Fit Center 33 is at 3.315313 -0.773224 3.328674 ESP Fit Center 34 is at 3.725003 -0.773224 3.328674 ESP Fit Center 35 is at 4.323793 -0.418422 3.209172 ESP Fit Center 36 is at 4.216126 -0.016605 3.209172 ESP Fit Center 37 is at 2.716523 -0.418422 3.209172 ESP Fit Center 38 is at 3.921975 -1.114391 3.209172 ESP Fit Center 39 is at 4.216126 -0.820240 3.209172 ESP Fit Center 40 is at 4.686855 -0.418422 3.015111 ESP Fit Center 41 is at 4.608071 0.003037 3.015111 ESP Fit Center 42 is at 2.373326 -0.204042 3.015111 ESP Fit Center 43 is at 4.382358 -1.204421 3.015111 ESP Fit Center 44 is at 4.608071 -0.839882 3.015111 ESP Fit Center 45 is at 4.769356 0.384388 2.753949 ESP Fit Center 46 is at 4.492576 -1.540653 2.753949 ESP Fit Center 47 is at 1.824810 -0.000557 2.435722 ESP Fit Center 48 is at 4.512048 -1.855423 2.435722 ESP Fit Center 49 is at 5.064695 0.755705 2.072660 ESP Fit Center 50 is at 1.681571 0.201069 2.072660 ESP Fit Center 51 is at 1.591384 -0.208656 2.072660 ESP Fit Center 52 is at 4.428939 -2.132566 2.072660 ESP Fit Center 53 is at 4.939188 1.074396 1.678714 ESP Fit Center 54 is at 5.005082 1.066502 1.269025 ESP Fit Center 55 is at 4.323793 -2.358569 1.269025 ESP Fit Center 56 is at 4.939188 1.074396 0.859335 ESP Fit Center 57 is at 4.609638 1.329487 0.859335 ESP Fit Center 58 is at 3.832046 -2.454320 0.859335 ESP Fit Center 59 is at 4.235485 -2.349863 0.859335 ESP Fit Center 60 is at 5.064695 0.755705 0.465389 ESP Fit Center 61 is at 4.776182 1.060284 0.465389 ESP Fit Center 62 is at 3.336972 -2.584255 0.697720 ESP Fit Center 63 is at 3.744190 -2.468392 0.697720 ESP Fit Center 64 is at 2.625595 -2.762048 0.423543 ESP Fit Center 65 is at 3.023383 -2.878849 0.423543 ESP Fit Center 66 is at 3.437964 -2.878849 0.423543 ESP Fit Center 67 is at 3.835752 -2.762048 0.423543 ESP Fit Center 68 is at 2.507951 -2.972973 0.092047 ESP Fit Center 69 is at 2.912610 -3.104455 0.092047 ESP Fit Center 70 is at 3.337255 -3.131171 0.092047 ESP Fit Center 71 is at 3.755202 -3.051444 0.092047 ESP Fit Center 72 is at 2.421883 -3.116581 -0.282280 ESP Fit Center 73 is at 2.815879 -3.254446 -0.282280 ESP Fit Center 74 is at 3.230673 -3.301182 -0.282280 ESP Fit Center 75 is at 3.645468 -3.254446 -0.282280 ESP Fit Center 76 is at 2.136772 -3.050494 -0.683077 ESP Fit Center 77 is at 2.509177 -3.247931 -0.683077 ESP Fit Center 78 is at 2.915318 -3.360695 -0.683077 ESP Fit Center 79 is at 3.336204 -3.383515 -0.683077 ESP Fit Center 80 is at 3.752156 -3.315323 -0.683077 ESP Fit Center 81 is at 2.136772 -3.050494 -1.092829 ESP Fit Center 82 is at 2.509177 -3.247931 -1.092829 ESP Fit Center 83 is at 2.915318 -3.360695 -1.092829 ESP Fit Center 84 is at 3.336204 -3.383515 -1.092829 ESP Fit Center 85 is at 3.752156 -3.315323 -1.092829 ESP Fit Center 86 is at 1.773284 -2.599340 -1.493627 ESP Fit Center 87 is at 2.068444 -2.894500 -1.493627 ESP Fit Center 88 is at 2.421883 -3.116581 -1.493627 ESP Fit Center 89 is at 2.815879 -3.254446 -1.493627 ESP Fit Center 90 is at 3.230673 -3.301182 -1.493627 ESP Fit Center 91 is at 3.645468 -3.254446 -1.493627 ESP Fit Center 92 is at 4.468032 -0.275154 -1.867953 ESP Fit Center 93 is at 1.546648 -1.649853 -1.867953 ESP Fit Center 94 is at 1.652462 -2.061969 -1.867953 ESP Fit Center 95 is at 1.857440 -2.434823 -1.867953 ESP Fit Center 96 is at 2.148704 -2.744988 -1.867953 ESP Fit Center 97 is at 2.507951 -2.972973 -1.867953 ESP Fit Center 98 is at 2.912610 -3.104455 -1.867953 ESP Fit Center 99 is at 3.337255 -3.131171 -1.867953 ESP Fit Center 100 is at 3.755202 -3.051444 -1.867953 ESP Fit Center 101 is at 4.184520 -0.336313 -2.199449 ESP Fit Center 102 is at 3.835752 -0.112174 -2.199449 ESP Fit Center 103 is at 2.276827 -0.336313 -2.199449 ESP Fit Center 104 is at 2.005334 -0.649633 -2.199449 ESP Fit Center 105 is at 1.833111 -1.026749 -2.199449 ESP Fit Center 106 is at 1.774109 -1.437111 -2.199449 ESP Fit Center 107 is at 1.833111 -1.847472 -2.199449 ESP Fit Center 108 is at 2.005334 -2.224589 -2.199449 ESP Fit Center 109 is at 2.276827 -2.537908 -2.199449 ESP Fit Center 110 is at 2.625595 -2.762048 -2.199449 ESP Fit Center 111 is at 3.023383 -2.878849 -2.199449 ESP Fit Center 112 is at 3.437964 -2.878849 -2.199449 ESP Fit Center 113 is at 3.835752 -2.762048 -2.199449 ESP Fit Center 114 is at 4.304936 -1.020939 -2.473627 ESP Fit Center 115 is at 4.082055 -0.660974 -2.473627 ESP Fit Center 116 is at 3.744190 -0.405830 -2.473627 ESP Fit Center 117 is at 3.336972 -0.289966 -2.473627 ESP Fit Center 118 is at 2.915397 -0.329031 -2.473627 ESP Fit Center 119 is at 2.536403 -0.517748 -2.473627 ESP Fit Center 120 is at 2.251173 -0.830630 -2.473627 ESP Fit Center 121 is at 2.098230 -1.225421 -2.473627 ESP Fit Center 122 is at 2.098230 -1.648801 -2.473627 ESP Fit Center 123 is at 2.251173 -2.043592 -2.473627 ESP Fit Center 124 is at 2.536403 -2.356474 -2.473627 ESP Fit Center 125 is at 2.915397 -2.545191 -2.473627 ESP Fit Center 126 is at 3.336972 -2.584255 -2.473627 ESP Fit Center 127 is at 3.744190 -2.468392 -2.473627 ESP Fit Center 128 is at 4.082055 -2.213248 -2.473627 ESP Fit Center 129 is at 4.027877 -1.437111 -2.678502 ESP Fit Center 130 is at 3.921072 -1.038509 -2.678502 ESP Fit Center 131 is at 3.629275 -0.746712 -2.678502 ESP Fit Center 132 is at 3.230673 -0.639907 -2.678502 ESP Fit Center 133 is at 2.832071 -0.746712 -2.678502 ESP Fit Center 134 is at 2.540275 -1.038509 -2.678502 ESP Fit Center 135 is at 2.433469 -1.437111 -2.678502 ESP Fit Center 136 is at 2.540275 -1.835713 -2.678502 ESP Fit Center 137 is at 2.832071 -2.127510 -2.678502 ESP Fit Center 138 is at 3.230673 -2.234315 -2.678502 ESP Fit Center 139 is at 3.629275 -2.127510 -2.678502 ESP Fit Center 140 is at 3.921072 -1.835713 -2.678502 ESP Fit Center 141 is at 3.638180 -1.437111 -2.805122 ESP Fit Center 142 is at 3.434427 -1.084200 -2.805122 ESP Fit Center 143 is at 3.026920 -1.084200 -2.805122 ESP Fit Center 144 is at 2.823166 -1.437111 -2.805122 ESP Fit Center 145 is at 3.026920 -1.790022 -2.805122 ESP Fit Center 146 is at 3.434427 -1.790022 -2.805122 ESP Fit Center 147 is at 3.230673 -1.437111 -2.847953 ESP Fit Center 148 is at -2.387594 1.028154 2.101602 ESP Fit Center 149 is at -1.977904 1.028154 2.061251 ESP Fit Center 150 is at -2.182749 1.382955 2.061251 ESP Fit Center 151 is at -2.592438 1.382955 2.061251 ESP Fit Center 152 is at -2.797283 1.028154 2.061251 ESP Fit Center 153 is at -2.592438 0.673352 2.061251 ESP Fit Center 154 is at -2.182749 0.673352 2.061251 ESP Fit Center 155 is at -1.691625 1.429971 1.941749 ESP Fit Center 156 is at -1.985776 1.724122 1.941749 ESP Fit Center 157 is at -2.387594 1.831789 1.941749 ESP Fit Center 158 is at -2.789411 1.724122 1.941749 ESP Fit Center 159 is at -3.083562 1.429971 1.941749 ESP Fit Center 160 is at -3.191229 1.028154 1.941749 ESP Fit Center 161 is at -2.387594 0.224519 1.941749 ESP Fit Center 162 is at -1.985776 0.332185 1.941749 ESP Fit Center 163 is at -1.525394 1.814153 1.747688 ESP Fit Center 164 is at -1.867552 2.072539 1.747688 ESP Fit Center 165 is at -2.279944 2.189874 1.747688 ESP Fit Center 166 is at -2.706875 2.150313 1.747688 ESP Fit Center 167 is at -3.090686 1.959198 1.747688 ESP Fit Center 168 is at -3.379540 1.642341 1.747688 ESP Fit Center 169 is at -3.534426 1.242534 1.747688 ESP Fit Center 170 is at -1.867552 -0.016231 1.747688 ESP Fit Center 171 is at -1.770734 2.378888 1.486526 ESP Fit Center 172 is at -3.636791 1.830964 1.486526 ESP Fit Center 173 is at -3.933676 1.839600 1.168299 ESP Fit Center 174 is at -3.933676 1.839600 -1.165095 ESP Fit Center 175 is at -1.770734 2.378888 -1.483322 ESP Fit Center 176 is at -3.636791 1.830964 -1.483322 ESP Fit Center 177 is at -3.812368 1.446505 -1.483322 ESP Fit Center 178 is at -1.867552 2.072539 -1.744484 ESP Fit Center 179 is at -2.279944 2.189874 -1.744484 ESP Fit Center 180 is at -2.706875 2.150313 -1.744484 ESP Fit Center 181 is at -3.090686 1.959198 -1.744484 ESP Fit Center 182 is at -3.379540 1.642341 -1.744484 ESP Fit Center 183 is at -3.534426 1.242534 -1.744484 ESP Fit Center 184 is at -1.691625 1.429971 -1.938545 ESP Fit Center 185 is at -1.985776 1.724122 -1.938545 ESP Fit Center 186 is at -2.387594 1.831789 -1.938545 ESP Fit Center 187 is at -2.789411 1.724122 -1.938545 ESP Fit Center 188 is at -3.083562 1.429971 -1.938545 ESP Fit Center 189 is at -3.191229 1.028154 -1.938545 ESP Fit Center 190 is at -3.083562 0.626336 -1.938545 ESP Fit Center 191 is at -2.387594 0.224519 -1.938545 ESP Fit Center 192 is at -1.985776 0.332185 -1.938545 ESP Fit Center 193 is at -1.977904 1.028154 -2.058047 ESP Fit Center 194 is at -2.182749 1.382955 -2.058047 ESP Fit Center 195 is at -2.592438 1.382955 -2.058047 ESP Fit Center 196 is at -2.797283 1.028154 -2.058047 ESP Fit Center 197 is at -2.592438 0.673352 -2.058047 ESP Fit Center 198 is at -2.182749 0.673352 -2.058047 ESP Fit Center 199 is at -2.387594 1.028154 -2.098398 ESP Fit Center 200 is at -1.041376 0.733971 2.058604 ESP Fit Center 201 is at -0.631686 0.733971 2.018253 ESP Fit Center 202 is at -0.836531 1.088773 2.018253 ESP Fit Center 203 is at -1.246221 1.088773 2.018253 ESP Fit Center 204 is at -1.451066 0.733971 2.018253 ESP Fit Center 205 is at -1.246221 0.379169 2.018253 ESP Fit Center 206 is at -0.836531 0.379169 2.018253 ESP Fit Center 207 is at -0.237741 0.733971 1.898751 ESP Fit Center 208 is at -1.041376 1.537606 1.898751 ESP Fit Center 209 is at -1.443194 1.429939 1.898751 ESP Fit Center 210 is at -1.737345 0.332153 1.898751 ESP Fit Center 211 is at -1.443194 0.038002 1.898751 ESP Fit Center 212 is at -0.345408 0.332153 1.898751 ESP Fit Center 213 is at -1.360658 1.856130 1.704690 ESP Fit Center 214 is at -1.744468 -0.197074 1.704690 ESP Fit Center 215 is at -1.744468 -0.197074 -1.787482 ESP Fit Center 216 is at 0.046537 0.312511 -1.787482 ESP Fit Center 217 is at -0.237741 0.733971 -1.981543 ESP Fit Center 218 is at -1.443194 1.429939 -1.981543 ESP Fit Center 219 is at -1.737345 0.332153 -1.981543 ESP Fit Center 220 is at -1.443194 0.038002 -1.981543 ESP Fit Center 221 is at -0.345408 0.332153 -1.981543 ESP Fit Center 222 is at -0.631686 0.733971 -2.101045 ESP Fit Center 223 is at -0.836531 1.088773 -2.101045 ESP Fit Center 224 is at -1.246221 1.088773 -2.101045 ESP Fit Center 225 is at -1.451066 0.733971 -2.101045 ESP Fit Center 226 is at -1.246221 0.379169 -2.101045 ESP Fit Center 227 is at -0.836531 0.379169 -2.101045 ESP Fit Center 228 is at -1.041376 0.733971 -2.141396 ESP Fit Center 229 is at -0.188502 1.677815 2.007918 ESP Fit Center 230 is at 0.221188 1.677815 1.967567 ESP Fit Center 231 is at 0.016343 2.032617 1.967567 ESP Fit Center 232 is at -0.393346 2.032617 1.967567 ESP Fit Center 233 is at -0.598191 1.677815 1.967567 ESP Fit Center 234 is at -0.393346 1.323014 1.967567 ESP Fit Center 235 is at 0.016343 1.323014 1.967567 ESP Fit Center 236 is at 0.507467 2.079633 1.848065 ESP Fit Center 237 is at 0.213316 2.373784 1.848065 ESP Fit Center 238 is at -0.188502 2.481450 1.848065 ESP Fit Center 239 is at -0.590319 2.373784 1.848065 ESP Fit Center 240 is at -0.884470 2.079633 1.848065 ESP Fit Center 241 is at -0.992137 1.677815 1.848065 ESP Fit Center 242 is at 0.213316 0.981847 1.848065 ESP Fit Center 243 is at 0.673698 2.463814 1.654004 ESP Fit Center 244 is at 0.331540 2.722200 1.654004 ESP Fit Center 245 is at -0.080852 2.839536 1.654004 ESP Fit Center 246 is at -0.507784 2.799975 1.654004 ESP Fit Center 247 is at -0.891594 2.608860 1.654004 ESP Fit Center 248 is at -1.180448 2.292002 1.654004 ESP Fit Center 249 is at 0.331540 0.633430 1.654004 ESP Fit Center 250 is at 0.783917 2.800046 1.392843 ESP Fit Center 251 is at 0.428358 3.028550 1.392843 ESP Fit Center 252 is at 0.022825 3.147625 1.392843 ESP Fit Center 253 is at -0.399828 3.147625 1.392843 ESP Fit Center 254 is at -0.805361 3.028550 1.392843 ESP Fit Center 255 is at -1.160920 2.800046 1.392843 ESP Fit Center 256 is at -1.437699 2.480626 1.392843 ESP Fit Center 257 is at 0.430669 3.310434 1.074616 ESP Fit Center 258 is at 0.021966 3.411170 1.074616 ESP Fit Center 259 is at -0.398969 3.411170 1.074616 ESP Fit Center 260 is at -0.807672 3.310434 1.074616 ESP Fit Center 261 is at -1.180392 3.114816 1.074616 ESP Fit Center 262 is at -1.495466 2.835685 1.074616 ESP Fit Center 263 is at 0.330543 3.547244 0.711553 ESP Fit Center 264 is at -0.083464 3.615117 0.711553 ESP Fit Center 265 is at -0.502382 3.592404 0.711553 ESP Fit Center 266 is at -0.906624 3.480167 0.711553 ESP Fit Center 267 is at -1.277287 3.283654 0.711553 ESP Fit Center 268 is at 0.526825 3.609256 0.317608 ESP Fit Center 269 is at 0.123386 3.713713 0.317608 ESP Fit Center 270 is at -0.292821 3.734821 0.317608 ESP Fit Center 271 is at -0.704758 3.671714 0.317608 ESP Fit Center 272 is at -1.095559 3.526977 0.317608 ESP Fit Center 273 is at -1.449225 3.306536 0.317608 ESP Fit Center 274 is at 0.221188 3.737464 -0.092082 ESP Fit Center 275 is at -0.188502 3.777815 -0.092082 ESP Fit Center 276 is at -0.598191 3.737464 -0.092082 ESP Fit Center 277 is at -0.992137 3.617962 -0.092082 ESP Fit Center 278 is at -1.355199 3.423901 -0.092082 ESP Fit Center 279 is at 0.526825 3.609256 -0.501771 ESP Fit Center 280 is at 0.123386 3.713713 -0.501771 ESP Fit Center 281 is at -0.292821 3.734821 -0.501771 ESP Fit Center 282 is at -0.704758 3.671714 -0.501771 ESP Fit Center 283 is at -1.095559 3.526977 -0.501771 ESP Fit Center 284 is at -1.449225 3.306536 -0.501771 ESP Fit Center 285 is at 0.330543 3.547244 -0.895717 ESP Fit Center 286 is at -0.083464 3.615117 -0.895717 ESP Fit Center 287 is at -0.502382 3.592404 -0.895717 ESP Fit Center 288 is at -0.906624 3.480167 -0.895717 ESP Fit Center 289 is at -1.277287 3.283654 -0.895717 ESP Fit Center 290 is at -1.597040 3.012053 -0.895717 ESP Fit Center 291 is at 0.430669 3.310434 -1.258779 ESP Fit Center 292 is at 0.021966 3.411170 -1.258779 ESP Fit Center 293 is at -0.398969 3.411170 -1.258779 ESP Fit Center 294 is at -0.807672 3.310434 -1.258779 ESP Fit Center 295 is at -1.180392 3.114816 -1.258779 ESP Fit Center 296 is at -1.495466 2.835685 -1.258779 ESP Fit Center 297 is at 0.428358 3.028550 -1.577006 ESP Fit Center 298 is at 0.022825 3.147625 -1.577006 ESP Fit Center 299 is at -0.399828 3.147625 -1.577006 ESP Fit Center 300 is at -0.805361 3.028550 -1.577006 ESP Fit Center 301 is at -1.160920 2.800046 -1.577006 ESP Fit Center 302 is at -1.437699 2.480626 -1.577006 ESP Fit Center 303 is at 0.331540 2.722200 -1.838168 ESP Fit Center 304 is at -0.080852 2.839536 -1.838168 ESP Fit Center 305 is at -0.507784 2.799975 -1.838168 ESP Fit Center 306 is at -0.891594 2.608860 -1.838168 ESP Fit Center 307 is at -1.180448 2.292002 -1.838168 ESP Fit Center 308 is at -1.335334 1.892195 -1.838168 ESP Fit Center 309 is at 0.507467 2.079633 -2.032229 ESP Fit Center 310 is at 0.213316 2.373784 -2.032229 ESP Fit Center 311 is at 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330 is at 1.384668 1.045034 1.922926 ESP Fit Center 331 is at 1.875792 1.801654 1.803424 ESP Fit Center 332 is at 1.581641 2.095805 1.803424 ESP Fit Center 333 is at 1.179823 2.203471 1.803424 ESP Fit Center 334 is at 0.778006 2.095805 1.803424 ESP Fit Center 335 is at 0.483855 0.998019 1.803424 ESP Fit Center 336 is at 0.778006 0.703868 1.803424 ESP Fit Center 337 is at 0.860541 2.521996 1.609363 ESP Fit Center 338 is at 0.476731 0.468791 1.609363 ESP Fit Center 339 is at 2.346521 1.399836 -1.882809 ESP Fit Center 340 is at 0.860541 2.521996 -1.882809 ESP Fit Center 341 is at 0.476731 0.468791 -1.882809 ESP Fit Center 342 is at 1.983458 1.399836 -2.076870 ESP Fit Center 343 is at 1.875792 1.801654 -2.076870 ESP Fit Center 344 is at 1.179823 2.203471 -2.076870 ESP Fit Center 345 is at 0.778006 2.095805 -2.076870 ESP Fit Center 346 is at 0.483855 0.998019 -2.076870 ESP Fit Center 347 is at 0.778006 0.703868 -2.076870 ESP Fit Center 348 is at 1.875792 0.998019 -2.076870 ESP Fit Center 349 is at 1.589513 1.399836 -2.196372 ESP Fit Center 350 is at 1.384668 1.754638 -2.196372 ESP Fit Center 351 is at 0.974978 1.754638 -2.196372 ESP Fit Center 352 is at 0.770134 1.399836 -2.196372 ESP Fit Center 353 is at 0.974978 1.045034 -2.196372 ESP Fit Center 354 is at 1.384668 1.045034 -2.196372 ESP Fit Center 355 is at 1.179823 1.399836 -2.236723 ESP Fit Center 356 is at 1.998282 2.325284 1.775065 ESP Fit Center 357 is at 2.405789 2.325284 1.732234 ESP Fit Center 358 is at 2.202035 2.678196 1.732234 ESP Fit Center 359 is at 1.794528 2.678196 1.732234 ESP Fit Center 360 is at 1.590775 2.325284 1.732234 ESP Fit Center 361 is at 2.202035 1.972373 1.732234 ESP Fit Center 362 is at 2.795485 2.325284 1.605614 ESP Fit Center 363 is at 2.688680 2.723886 1.605614 ESP Fit Center 364 is at 2.396884 3.015683 1.605614 ESP Fit Center 365 is at 1.998282 3.122488 1.605614 ESP Fit Center 366 is at 1.599680 3.015683 1.605614 ESP Fit Center 367 is at 1.307883 2.723886 1.605614 ESP Fit Center 368 is at 3.150341 2.325284 1.400738 ESP Fit Center 369 is at 3.072545 2.741456 1.400738 ESP Fit Center 370 is at 2.849664 3.101422 1.400738 ESP Fit Center 371 is at 2.511799 3.356565 1.400738 ESP Fit Center 372 is at 2.104580 3.472429 1.400738 ESP Fit Center 373 is at 1.683006 3.433364 1.400738 ESP Fit Center 374 is at 1.304011 3.244647 1.400738 ESP Fit Center 375 is at 1.018781 2.931765 1.400738 ESP Fit Center 376 is at 3.454845 2.325284 1.126561 ESP Fit Center 377 is at 3.395844 2.735646 1.126561 ESP Fit Center 378 is at 3.223621 3.112762 1.126561 ESP Fit Center 379 is at 2.952128 3.426082 1.126561 ESP Fit Center 380 is at 2.603360 3.650221 1.126561 ESP Fit Center 381 is at 2.205572 3.767023 1.126561 ESP Fit Center 382 is at 1.790991 3.767023 1.126561 ESP Fit Center 383 is at 1.393203 3.650221 1.126561 ESP Fit Center 384 is at 1.044435 3.426082 1.126561 ESP Fit Center 385 is at 0.772942 3.112762 1.126561 ESP Fit Center 386 is at 3.695691 2.325284 0.795065 ESP Fit Center 387 is at 3.642364 2.747413 0.795065 ESP Fit Center 388 is at 3.485733 3.143018 0.795065 ESP Fit Center 389 is at 3.235640 3.487241 0.795065 ESP Fit Center 390 is at 2.907799 3.758455 0.795065 ESP Fit Center 391 is at 2.522810 3.939617 0.795065 ESP Fit Center 392 is at 2.104863 4.019345 0.795065 ESP Fit Center 393 is at 1.680219 3.992628 0.795065 ESP Fit Center 394 is at 1.275560 3.861147 0.795065 ESP Fit Center 395 is at 0.916312 3.633161 0.795065 ESP Fit Center 396 is at 3.642364 1.903156 0.795065 ESP Fit Center 397 is at 3.862352 2.325284 0.420738 ESP Fit Center 398 is at 3.815616 2.740079 0.420738 ESP Fit Center 399 is at 3.677751 3.134074 0.420738 ESP Fit Center 400 is at 3.455671 3.487513 0.420738 ESP Fit Center 401 is at 3.160511 3.782674 0.420738 ESP Fit Center 402 is at 2.807072 4.004754 0.420738 ESP Fit Center 403 is at 2.413076 4.142619 0.420738 ESP Fit Center 404 is at 1.998282 4.189355 0.420738 ESP Fit Center 405 is at 1.583487 4.142619 0.420738 ESP Fit Center 406 is at 1.189492 4.004754 0.420738 ESP Fit Center 407 is at 0.836053 3.782674 0.420738 ESP Fit Center 408 is at 3.815616 1.910490 0.420738 ESP Fit Center 409 is at 3.947545 2.325284 0.019941 ESP Fit Center 410 is at 3.901972 2.744318 0.019941 ESP Fit Center 411 is at 3.767385 3.143759 0.019941 ESP Fit Center 412 is at 3.550076 3.504928 0.019941 ESP Fit Center 413 is at 3.260208 3.810939 0.019941 ESP Fit Center 414 is at 2.911333 4.047482 0.019941 ESP Fit Center 415 is at 2.519765 4.203497 0.019941 ESP Fit Center 416 is at 2.103813 4.271689 0.019941 ESP Fit Center 417 is at 1.682926 4.248869 0.019941 ESP Fit Center 418 is at 1.276785 4.136104 0.019941 ESP Fit Center 419 is at 0.904380 3.938668 0.019941 ESP Fit Center 420 is at 0.583126 3.665791 0.019941 ESP Fit Center 421 is at 3.947545 2.325284 -0.389811 ESP Fit Center 422 is at 3.901972 2.744318 -0.389811 ESP Fit Center 423 is at 3.767385 3.143759 -0.389811 ESP Fit Center 424 is at 3.550076 3.504928 -0.389811 ESP Fit Center 425 is at 3.260208 3.810939 -0.389811 ESP Fit Center 426 is at 2.911333 4.047482 -0.389811 ESP Fit Center 427 is at 2.519765 4.203497 -0.389811 ESP Fit Center 428 is at 2.103813 4.271689 -0.389811 ESP Fit Center 429 is at 1.682926 4.248869 -0.389811 ESP Fit Center 430 is at 1.276785 4.136104 -0.389811 ESP Fit Center 431 is at 0.904380 3.938668 -0.389811 ESP Fit Center 432 is at 0.583126 3.665791 -0.389811 ESP Fit Center 433 is at 3.862352 2.325284 -0.790608 ESP Fit Center 434 is at 3.815616 2.740079 -0.790608 ESP Fit Center 435 is at 3.677751 3.134074 -0.790608 ESP Fit Center 436 is at 3.455671 3.487513 -0.790608 ESP Fit Center 437 is at 3.160511 3.782674 -0.790608 ESP Fit Center 438 is at 2.807072 4.004754 -0.790608 ESP Fit Center 439 is at 2.413076 4.142619 -0.790608 ESP Fit Center 440 is at 1.998282 4.189355 -0.790608 ESP Fit Center 441 is at 1.583487 4.142619 -0.790608 ESP Fit Center 442 is at 1.189492 4.004754 -0.790608 ESP Fit Center 443 is at 0.836053 3.782674 -0.790608 ESP Fit Center 444 is at 3.695691 2.325284 -1.164935 ESP Fit Center 445 is at 3.642364 2.747413 -1.164935 ESP Fit Center 446 is at 3.485733 3.143018 -1.164935 ESP Fit Center 447 is at 3.235640 3.487241 -1.164935 ESP Fit Center 448 is at 2.907799 3.758455 -1.164935 ESP Fit Center 449 is at 2.522810 3.939617 -1.164935 ESP Fit Center 450 is at 2.104863 4.019345 -1.164935 ESP Fit Center 451 is at 1.680219 3.992628 -1.164935 ESP Fit Center 452 is at 1.275560 3.861147 -1.164935 ESP Fit Center 453 is at 0.916312 3.633161 -1.164935 ESP Fit Center 454 is at 0.625048 3.322997 -1.164935 ESP Fit Center 455 is at 3.454845 2.325284 -1.496431 ESP Fit Center 456 is at 3.395844 2.735646 -1.496431 ESP Fit Center 457 is at 3.223621 3.112762 -1.496431 ESP Fit Center 458 is at 2.952128 3.426082 -1.496431 ESP Fit Center 459 is at 2.603360 3.650221 -1.496431 ESP Fit Center 460 is at 2.205572 3.767023 -1.496431 ESP Fit Center 461 is at 1.790991 3.767023 -1.496431 ESP Fit Center 462 is at 1.393203 3.650221 -1.496431 ESP Fit Center 463 is at 1.044435 3.426082 -1.496431 ESP Fit Center 464 is at 0.772942 3.112762 -1.496431 ESP Fit Center 465 is at 3.150341 2.325284 -1.770608 ESP Fit Center 466 is at 3.072545 2.741456 -1.770608 ESP Fit Center 467 is at 2.849664 3.101422 -1.770608 ESP Fit Center 468 is at 2.511799 3.356565 -1.770608 ESP Fit Center 469 is at 2.104580 3.472429 -1.770608 ESP Fit Center 470 is at 1.683006 3.433364 -1.770608 ESP Fit Center 471 is at 1.304011 3.244647 -1.770608 ESP Fit Center 472 is at 1.018781 2.931765 -1.770608 ESP Fit Center 473 is at 2.511799 1.294003 -1.770608 ESP Fit Center 474 is at 3.072545 1.909113 -1.770608 ESP Fit Center 475 is at 2.795485 2.325284 -1.975484 ESP Fit Center 476 is at 2.688680 2.723886 -1.975484 ESP Fit Center 477 is at 2.396884 3.015683 -1.975484 ESP Fit Center 478 is at 1.998282 3.122488 -1.975484 ESP Fit Center 479 is at 1.599680 3.015683 -1.975484 ESP Fit Center 480 is at 1.307883 2.723886 -1.975484 ESP Fit Center 481 is at 2.396884 1.634886 -1.975484 ESP Fit Center 482 is at 2.688680 1.926682 -1.975484 ESP Fit Center 483 is at 2.405789 2.325284 -2.102104 ESP Fit Center 484 is at 2.202035 2.678196 -2.102104 ESP Fit Center 485 is at 1.794528 2.678196 -2.102104 ESP Fit Center 486 is at 1.590775 2.325284 -2.102104 ESP Fit Center 487 is at 1.794528 1.972373 -2.102104 ESP Fit Center 488 is at 2.202035 1.972373 -2.102104 ESP Fit Center 489 is at 1.998282 2.325284 -2.144935 ESP Fit Center 490 is at 1.411126 0.433137 1.933024 ESP Fit Center 491 is at 1.206281 0.078335 1.933024 ESP Fit Center 492 is at 1.411126 -0.276466 1.933024 ESP Fit Center 493 is at 0.920002 0.480153 1.813522 ESP Fit Center 494 is at 0.812335 0.078335 1.813522 ESP Fit Center 495 is at 0.469138 0.292715 1.619461 ESP Fit Center 496 is at 0.469138 0.292715 -1.872712 ESP Fit Center 497 is at 2.311939 0.480153 -2.066773 ESP Fit Center 498 is at 2.017788 0.774304 -2.066773 ESP Fit Center 499 is at 0.920002 0.480153 -2.066773 ESP Fit Center 500 is at 0.812335 0.078335 -2.066773 ESP Fit Center 501 is at 0.920002 -0.323482 -2.066773 ESP Fit Center 502 is at 1.615971 -0.725300 -2.066773 ESP Fit Center 503 is at 2.025660 0.078335 -2.186275 ESP Fit Center 504 is at 1.820815 0.433137 -2.186275 ESP Fit Center 505 is at 1.411126 0.433137 -2.186275 ESP Fit Center 506 is at 1.206281 0.078335 -2.186275 ESP Fit Center 507 is at 1.411126 -0.276466 -2.186275 ESP Fit Center 508 is at 1.820815 -0.276466 -2.186275 ESP Fit Center 509 is at 1.615971 0.078335 -2.226625 ESP Fit Center 510 is at 0.681448 -0.946649 2.029050 ESP Fit Center 511 is at 1.091138 -0.946649 1.988700 ESP Fit Center 512 is at 0.886293 -0.591848 1.988700 ESP Fit Center 513 is at 0.476604 -0.591848 1.988700 ESP Fit Center 514 is at 0.271759 -0.946649 1.988700 ESP Fit Center 515 is at 0.476604 -1.301451 1.988700 ESP Fit Center 516 is at 0.886293 -1.301451 1.988700 ESP Fit Center 517 is at 1.377417 -0.544832 1.869197 ESP Fit Center 518 is at 0.681448 -0.143014 1.869197 ESP Fit Center 519 is at 0.279631 -0.250681 1.869197 ESP Fit Center 520 is at -0.014520 -1.348467 1.869197 ESP Fit Center 521 is at 0.279631 -1.642618 1.869197 ESP Fit Center 522 is at 0.681448 -1.750285 1.869197 ESP Fit Center 523 is at 1.083266 -1.642618 1.869197 ESP Fit Center 524 is at 0.362166 0.175510 1.675137 ESP Fit Center 525 is at 0.362166 -2.068809 1.675137 ESP Fit Center 526 is at 0.789098 -2.108370 1.675137 ESP Fit Center 527 is at 1.201490 -1.991034 1.675137 ESP Fit Center 528 is at 0.064589 -2.297384 -1.555874 ESP Fit Center 529 is at 0.362166 0.175510 -1.817036 ESP Fit Center 530 is at -0.021644 -1.877694 -1.817036 ESP Fit Center 531 is at 0.362166 -2.068809 -1.817036 ESP Fit Center 532 is at 0.789098 -2.108370 -1.817036 ESP Fit Center 533 is at 1.201490 -1.991034 -1.817036 ESP Fit Center 534 is at 1.485084 -0.946649 -2.011097 ESP Fit Center 535 is at 0.681448 -0.143014 -2.011097 ESP Fit Center 536 is at 0.279631 -0.250681 -2.011097 ESP Fit Center 537 is at -0.014520 -1.348467 -2.011097 ESP Fit Center 538 is at 0.279631 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Center 557 is at -0.211155 0.043167 1.910760 ESP Fit Center 558 is at -1.308942 -0.250984 1.910760 ESP Fit Center 559 is at -1.416608 -0.652802 1.910760 ESP Fit Center 560 is at -0.211155 -1.348770 1.910760 ESP Fit Center 561 is at 0.249227 0.133197 1.716699 ESP Fit Center 562 is at -1.759805 -0.438421 1.716699 ESP Fit Center 563 is at -1.759805 -0.438421 -1.775474 ESP Fit Center 564 is at 0.082995 -0.250984 -1.969534 ESP Fit Center 565 is at -0.211155 0.043167 -1.969534 ESP Fit Center 566 is at -1.308942 -0.250984 -1.969534 ESP Fit Center 567 is at -1.416608 -0.652802 -1.969534 ESP Fit Center 568 is at -1.308942 -1.054619 -1.969534 ESP Fit Center 569 is at -0.612973 -1.456437 -1.969534 ESP Fit Center 570 is at -0.211155 -1.348770 -1.969534 ESP Fit Center 571 is at -0.203283 -0.652802 -2.089036 ESP Fit Center 572 is at -0.408128 -0.298000 -2.089036 ESP Fit Center 573 is at -0.817818 -0.298000 -2.089036 ESP Fit Center 574 is at -1.022663 -0.652802 -2.089036 ESP Fit Center 575 is at -0.817818 -1.007603 -2.089036 ESP Fit Center 576 is at -0.408128 -1.007603 -2.089036 ESP Fit Center 577 is at -0.612973 -0.652802 -2.129387 ESP Fit Center 578 is at 4.443499 1.409677 0.559908 ESP Fit Center 579 is at 4.095111 1.672768 0.559908 ESP Fit Center 580 is at 5.020523 0.609368 0.211969 ESP Fit Center 581 is at 4.955885 1.038214 0.211969 ESP Fit Center 582 is at 4.767714 1.428955 0.211969 ESP Fit Center 583 is at 4.472730 1.746872 0.211969 ESP Fit Center 584 is at 4.097144 1.963717 0.211969 ESP Fit Center 585 is at 5.188356 0.609368 -0.193215 ESP Fit Center 586 is at 5.133062 1.029368 -0.193215 ESP Fit Center 587 is at 4.970948 1.420746 -0.193215 ESP Fit Center 588 is at 4.713062 1.756829 -0.193215 ESP Fit Center 589 is at 4.376978 2.014715 -0.193215 ESP Fit Center 590 is at 3.985601 2.176829 -0.193215 ESP Fit Center 591 is at 5.133062 0.189368 -0.193215 ESP Fit Center 592 is at 5.245601 0.609368 -0.628031 ESP Fit Center 593 is at 5.192820 1.027167 -0.628031 ESP Fit Center 594 is at 5.037796 1.418714 -0.628031 ESP Fit Center 595 is at 4.790268 1.759407 -0.628031 ESP Fit Center 596 is at 4.465790 2.027839 -0.628031 ESP Fit Center 597 is at 4.084749 2.207143 -0.628031 ESP Fit Center 598 is at 5.192820 0.191569 -0.628031 ESP Fit Center 599 is at 5.188356 0.609368 -1.062847 ESP Fit Center 600 is at 5.133062 1.029368 -1.062847 ESP Fit Center 601 is at 4.970948 1.420746 -1.062847 ESP Fit Center 602 is at 4.713062 1.756829 -1.062847 ESP Fit Center 603 is at 4.376978 2.014715 -1.062847 ESP Fit Center 604 is at 3.985601 2.176829 -1.062847 ESP Fit Center 605 is at 5.133062 0.189368 -1.062847 ESP Fit Center 606 is at 5.020523 0.609368 -1.468031 ESP Fit Center 607 is at 4.955885 1.038214 -1.468031 ESP Fit Center 608 is at 4.767714 1.428955 -1.468031 ESP Fit Center 609 is at 4.472730 1.746872 -1.468031 ESP Fit Center 610 is at 4.097144 1.963717 -1.468031 ESP Fit Center 611 is at 3.674327 2.060222 -1.468031 ESP Fit Center 612 is at 4.955885 0.180522 -1.468031 ESP Fit Center 613 is at 4.753540 0.609368 -1.815970 ESP Fit Center 614 is at 4.673321 1.038501 -1.815970 ESP Fit Center 615 is at 4.443499 1.409677 -1.815970 ESP Fit Center 616 is at 4.095111 1.672768 -1.815970 ESP Fit Center 617 is at 3.675210 1.792240 -1.815970 ESP Fit Center 618 is at 3.240506 1.751958 -1.815970 ESP Fit Center 619 is at 2.849707 1.557364 -1.815970 ESP Fit Center 620 is at 2.555594 1.234737 -1.815970 ESP Fit Center 621 is at 4.443499 -0.190942 -1.815970 ESP Fit Center 622 is at 4.673321 0.180235 -1.815970 ESP Fit Center 623 is at 4.405601 0.609368 -2.082954 ESP Fit Center 624 is at 4.293062 1.029368 -2.082954 ESP Fit Center 625 is at 3.985601 1.336829 -2.082954 ESP Fit Center 626 is at 3.565601 1.449368 -2.082954 ESP Fit Center 627 is at 3.145601 1.336829 -2.082954 ESP Fit Center 628 is at 2.838139 1.029368 -2.082954 ESP Fit Center 629 is at 2.725601 0.609368 -2.082954 ESP Fit Center 630 is at 4.293062 0.189368 -2.082954 ESP Fit Center 631 is at 4.000417 0.609368 -2.250786 ESP Fit Center 632 is at 3.783009 0.985930 -2.250786 ESP Fit Center 633 is at 3.348193 0.985930 -2.250786 ESP Fit Center 634 is at 3.130785 0.609368 -2.250786 ESP Fit Center 635 is at 3.348193 0.232806 -2.250786 ESP Fit Center 636 is at 3.783009 0.232806 -2.250786 ESP Fit Center 637 is at 3.565601 0.609368 -2.308031 ESP Fit Center 638 is at 5.027862 -0.654861 2.871972 ESP Fit Center 639 is at 4.810454 -1.031423 2.871972 ESP Fit Center 640 is at 5.433046 -0.654861 2.704139 ESP Fit Center 641 is at 5.320508 -0.234861 2.704139 ESP Fit Center 642 is at 5.013046 0.072600 2.704139 ESP Fit Center 643 is at 5.013046 -1.382322 2.704139 ESP Fit Center 644 is at 5.320508 -1.074861 2.704139 ESP Fit Center 645 is at 5.780986 -0.654861 2.437156 ESP Fit Center 646 is at 5.700767 -0.225728 2.437156 ESP Fit Center 647 is at 5.470944 0.145449 2.437156 ESP Fit Center 648 is at 5.122556 0.408539 2.437156 ESP Fit Center 649 is at 4.702655 -1.837733 2.437156 ESP Fit Center 650 is at 5.122556 -1.718261 2.437156 ESP Fit Center 651 is at 5.470944 -1.455170 2.437156 ESP Fit Center 652 is at 5.700767 -1.083994 2.437156 ESP Fit Center 653 is at 6.047969 -0.654861 2.089217 ESP Fit Center 654 is at 5.983331 -0.226015 2.089217 ESP Fit Center 655 is at 5.795160 0.164726 2.089217 ESP Fit Center 656 is at 5.500176 0.482643 2.089217 ESP Fit Center 657 is at 5.124589 0.699488 2.089217 ESP Fit Center 658 is at 4.701773 -2.105715 2.089217 ESP Fit Center 659 is at 5.124589 -2.009210 2.089217 ESP Fit Center 660 is at 5.500176 -1.792365 2.089217 ESP Fit Center 661 is at 5.795160 -1.474448 2.089217 ESP Fit Center 662 is at 5.983331 -1.083707 2.089217 ESP Fit Center 663 is at 6.215802 -0.654861 1.684033 ESP Fit Center 664 is at 6.160508 -0.234861 1.684033 ESP Fit Center 665 is at 5.998394 0.156517 1.684033 ESP Fit Center 666 is at 5.740508 0.492600 1.684033 ESP Fit Center 667 is at 5.404424 0.750487 1.684033 ESP Fit Center 668 is at 4.593046 -2.277616 1.684033 ESP Fit Center 669 is at 5.013046 -2.222322 1.684033 ESP Fit Center 670 is at 5.404424 -2.060208 1.684033 ESP Fit Center 671 is at 5.740508 -1.802322 1.684033 ESP Fit Center 672 is at 5.998394 -1.466239 1.684033 ESP Fit Center 673 is at 6.160508 -1.074861 1.684033 ESP Fit Center 674 is at 6.273046 -0.654861 1.249217 ESP Fit Center 675 is at 6.220266 -0.237062 1.249217 ESP Fit Center 676 is at 6.065241 0.154485 1.249217 ESP Fit Center 677 is at 5.817714 0.495178 1.249217 ESP Fit Center 678 is at 5.493235 0.763610 1.249217 ESP Fit Center 679 is at 4.698534 -2.331546 1.249217 ESP Fit Center 680 is at 5.112195 -2.252636 1.249217 ESP Fit Center 681 is at 5.493235 -2.073332 1.249217 ESP Fit Center 682 is at 5.817714 -1.804900 1.249217 ESP Fit Center 683 is at 6.065241 -1.464207 1.249217 ESP Fit Center 684 is at 6.220266 -1.072660 1.249217 ESP Fit Center 685 is at 6.215802 -0.654861 0.814401 ESP Fit Center 686 is at 6.160508 -0.234861 0.814401 ESP Fit Center 687 is at 5.998394 0.156517 0.814401 ESP Fit Center 688 is at 5.740508 0.492600 0.814401 ESP Fit Center 689 is at 5.404424 0.750487 0.814401 ESP Fit Center 690 is at 4.593046 -2.277616 0.814401 ESP Fit Center 691 is at 5.013046 -2.222322 0.814401 ESP Fit Center 692 is at 5.404424 -2.060208 0.814401 ESP Fit Center 693 is at 5.740508 -1.802322 0.814401 ESP Fit Center 694 is at 5.998394 -1.466239 0.814401 ESP Fit Center 695 is at 6.160508 -1.074861 0.814401 ESP Fit Center 696 is at 6.047969 -0.654861 0.409217 ESP Fit Center 697 is at 5.983331 -0.226015 0.409217 ESP Fit Center 698 is at 5.795160 0.164726 0.409217 ESP Fit Center 699 is at 5.500176 0.482643 0.409217 ESP Fit Center 700 is at 5.124589 0.699488 0.409217 ESP Fit Center 701 is at 5.500176 -1.792365 0.409217 ESP Fit Center 702 is at 5.795160 -1.474448 0.409217 ESP Fit Center 703 is at 5.983331 -1.083707 0.409217 ESP Fit Center 704 is at 5.780986 -0.654861 0.061277 ESP Fit Center 705 is at 5.700767 -0.225728 0.061277 ESP Fit Center 706 is at 5.470944 0.145449 0.061277 ESP Fit Center 707 is at 5.122556 0.408539 0.061277 ESP Fit Center 708 is at 5.700767 -1.083994 0.061277 ESP Fit Center 709 is at 5.433046 -0.654861 -0.205706 ESP Fit Center 710 is at 5.320508 -0.234861 -0.205706 ESP Fit Center 711 is at 3.356292 0.505290 3.522181 ESP Fit Center 712 is at 3.791108 0.505290 3.464936 ESP Fit Center 713 is at 3.573700 0.881852 3.464936 ESP Fit Center 714 is at 3.138884 0.881852 3.464936 ESP Fit Center 715 is at 2.921476 0.505290 3.464936 ESP Fit Center 716 is at 3.138884 0.128728 3.464936 ESP Fit Center 717 is at 3.573700 0.128728 3.464936 ESP Fit Center 718 is at 4.196292 0.505290 3.297104 ESP Fit Center 719 is at 4.083753 0.925290 3.297104 ESP Fit Center 720 is at 3.776292 1.232751 3.297104 ESP Fit Center 721 is at 3.356292 1.345290 3.297104 ESP Fit Center 722 is at 2.936292 1.232751 3.297104 ESP Fit Center 723 is at 2.628831 0.925290 3.297104 ESP Fit Center 724 is at 2.516292 0.505290 3.297104 ESP Fit Center 725 is at 2.628831 0.085290 3.297104 ESP Fit Center 726 is at 2.936292 -0.222171 3.297104 ESP Fit Center 727 is at 4.083753 0.085290 3.297104 ESP Fit Center 728 is at 4.544231 0.505290 3.030120 ESP Fit Center 729 is at 4.464013 0.934423 3.030120 ESP Fit Center 730 is at 4.234190 1.305600 3.030120 ESP Fit Center 731 is at 3.885802 1.568690 3.030120 ESP Fit Center 732 is at 3.465901 1.688162 3.030120 ESP Fit Center 733 is at 3.031197 1.647881 3.030120 ESP Fit Center 734 is at 2.640399 1.453286 3.030120 ESP Fit Center 735 is at 2.346286 1.130660 3.030120 ESP Fit Center 736 is at 2.188580 0.723573 3.030120 ESP Fit Center 737 is at 2.188580 0.287007 3.030120 ESP Fit Center 738 is at 2.346286 -0.120079 3.030120 ESP Fit Center 739 is at 4.811215 0.505290 2.682181 ESP Fit Center 740 is at 4.746577 0.934136 2.682181 ESP Fit Center 741 is at 4.558406 1.324877 2.682181 ESP Fit Center 742 is at 4.263422 1.642795 2.682181 ESP Fit Center 743 is at 3.887835 1.859639 2.682181 ESP Fit Center 744 is at 3.465019 1.956145 2.682181 ESP Fit Center 745 is at 3.032541 1.923735 2.682181 ESP Fit Center 746 is at 2.628831 1.765290 2.682181 ESP Fit Center 747 is at 2.289758 1.494889 2.682181 ESP Fit Center 748 is at 2.045452 1.136557 2.682181 ESP Fit Center 749 is at 1.917620 0.722135 2.682181 ESP Fit Center 750 is at 1.917620 0.288445 2.682181 ESP Fit Center 751 is at 4.923753 0.925290 2.276997 ESP Fit Center 752 is at 4.761639 1.316668 2.276997 ESP Fit Center 753 is at 4.503753 1.652751 2.276997 ESP Fit Center 754 is at 4.167670 1.910638 2.276997 ESP Fit Center 755 is at 3.776292 2.072751 2.276997 ESP Fit Center 756 is at 3.356292 2.128046 2.276997 ESP Fit Center 757 is at 2.936292 2.072751 2.276997 ESP Fit Center 758 is at 2.544914 1.910638 2.276997 ESP Fit Center 759 is at 2.208831 1.652751 2.276997 ESP Fit Center 760 is at 1.950945 1.316668 2.276997 ESP Fit Center 761 is at 1.788831 0.925290 2.276997 ESP Fit Center 762 is at 1.733537 0.505290 2.276997 ESP Fit Center 763 is at 4.828487 1.314636 1.842181 ESP Fit Center 764 is at 4.580959 1.655329 1.842181 ESP Fit Center 765 is at 4.256481 1.923761 1.842181 ESP Fit Center 766 is at 3.875441 2.103065 1.842181 ESP Fit Center 767 is at 3.461780 2.181975 1.842181 ESP Fit Center 768 is at 3.041491 2.155533 1.842181 ESP Fit Center 769 is at 2.640983 2.025400 1.842181 ESP Fit Center 770 is at 2.285420 1.799752 1.842181 ESP Fit Center 771 is at 1.997144 1.492769 1.842181 ESP Fit Center 772 is at 4.761639 1.316668 1.407365 ESP Fit Center 773 is at 4.503753 1.652751 1.407365 ESP Fit Center 774 is at 4.167670 1.910638 1.407365 ESP Fit Center 775 is at 3.776292 2.072751 1.407365 ESP Fit Center 776 is at 3.356292 2.128046 1.407365 ESP Fit Center 777 is at 4.263422 1.642795 1.002181 ESP Fit Center 778 is at 3.887835 1.859639 1.002181 ESP Fit Center 779 is at -3.332407 0.003437 2.157171 ESP Fit Center 780 is at -2.922718 0.003437 2.116820 ESP Fit Center 781 is at -3.127562 0.358239 2.116820 ESP Fit Center 782 is at -3.537252 0.358239 2.116820 ESP Fit Center 783 is at -3.742097 0.003437 2.116820 ESP Fit Center 784 is at -3.537252 -0.351364 2.116820 ESP Fit Center 785 is at -3.127562 -0.351364 2.116820 ESP Fit Center 786 is at -2.528772 0.003437 1.997318 ESP Fit Center 787 is at -2.636439 0.405255 1.997318 ESP Fit Center 788 is at -3.332407 0.807072 1.997318 ESP Fit Center 789 is at -3.734225 0.699406 1.997318 ESP Fit Center 790 is at -4.028376 0.405255 1.997318 ESP Fit Center 791 is at -4.136042 0.003437 1.997318 ESP Fit Center 792 is at -4.028376 -0.398380 1.997318 ESP Fit Center 793 is at -3.734225 -0.692531 1.997318 ESP Fit Center 794 is at -3.332407 -0.800198 1.997318 ESP Fit Center 795 is at -2.930590 -0.692531 1.997318 ESP Fit Center 796 is at -2.636439 -0.398380 1.997318 ESP Fit Center 797 is at -3.651689 1.125597 1.803258 ESP Fit Center 798 is at -4.035500 -0.927608 1.803258 ESP Fit Center 799 is at -2.244494 -0.418023 1.803258 ESP Fit Center 800 is at -4.304826 -1.118794 1.542096 ESP Fit Center 801 is at -4.304826 -1.118794 -1.427753 ESP Fit Center 802 is at -3.651689 1.125597 -1.688915 ESP Fit Center 803 is at -4.035500 0.934482 -1.688915 ESP Fit Center 804 is at -4.324353 -0.610750 -1.688915 ESP Fit Center 805 is at -4.035500 -0.927608 -1.688915 ESP Fit Center 806 is at -2.244494 -0.418023 -1.688915 ESP Fit Center 807 is at -2.528772 0.003437 -1.882976 ESP Fit Center 808 is at -3.332407 0.807072 -1.882976 ESP Fit Center 809 is at -3.734225 0.699406 -1.882976 ESP Fit Center 810 is at -4.028376 0.405255 -1.882976 ESP Fit Center 811 is at -4.136042 0.003437 -1.882976 ESP Fit Center 812 is at -4.028376 -0.398380 -1.882976 ESP Fit Center 813 is at -3.734225 -0.692531 -1.882976 ESP Fit Center 814 is at -3.332407 -0.800198 -1.882976 ESP Fit Center 815 is at -2.930590 -0.692531 -1.882976 ESP Fit Center 816 is at -2.636439 -0.398380 -1.882976 ESP Fit Center 817 is at -2.922718 0.003437 -2.002478 ESP Fit Center 818 is at -3.127562 0.358239 -2.002478 ESP Fit Center 819 is at -3.537252 0.358239 -2.002478 ESP Fit Center 820 is at -3.742097 0.003437 -2.002478 ESP Fit Center 821 is at -3.537252 -0.351364 -2.002478 ESP Fit Center 822 is at -3.127562 -0.351364 -2.002478 ESP Fit Center 823 is at -3.332407 0.003437 -2.042829 ESP Fit Center 824 is at -2.902830 2.352185 1.616154 ESP Fit Center 825 is at -2.265422 2.703085 1.448322 ESP Fit Center 826 is at -2.685422 2.815624 1.448322 ESP Fit Center 827 is at -3.105422 2.703085 1.448322 ESP Fit Center 828 is at -3.412883 2.395624 1.448322 ESP Fit Center 829 is at -1.807524 2.775933 1.181338 ESP Fit Center 830 is at -2.155911 3.039023 1.181338 ESP Fit Center 831 is at -2.575812 3.158496 1.181338 ESP Fit Center 832 is at -3.010517 3.118214 1.181338 ESP Fit Center 833 is at -3.401315 2.923620 1.181338 ESP Fit Center 834 is at -3.695428 2.600993 1.181338 ESP Fit Center 835 is at -3.853134 2.193907 1.181338 ESP Fit Center 836 is at -1.778292 3.113128 0.833399 ESP Fit Center 837 is at -2.153879 3.329973 0.833399 ESP Fit Center 838 is at -2.576695 3.426478 0.833399 ESP Fit Center 839 is at -3.009172 3.394068 0.833399 ESP Fit Center 840 is at -3.412883 3.235624 0.833399 ESP Fit Center 841 is at -3.751955 2.965222 0.833399 ESP Fit Center 842 is at -3.996262 2.606891 0.833399 ESP Fit Center 843 is at -4.124094 2.192469 0.833399 ESP Fit Center 844 is at -1.874044 3.380971 0.428215 ESP Fit Center 845 is at -2.265422 3.543085 0.428215 ESP Fit Center 846 is at -2.685422 3.598379 0.428215 ESP Fit Center 847 is at -3.105422 3.543085 0.428215 ESP Fit Center 848 is at -3.496799 3.380971 0.428215 ESP Fit Center 849 is at -3.832883 3.123085 0.428215 ESP Fit Center 850 is at -4.090769 2.787001 0.428215 ESP Fit Center 851 is at -4.252883 2.395624 0.428215 ESP Fit Center 852 is at -1.785233 3.394095 -0.006601 ESP Fit Center 853 is at -2.166273 3.573399 -0.006601 ESP Fit Center 854 is at -2.579933 3.652309 -0.006601 ESP Fit Center 855 is at -3.000222 3.625866 -0.006601 ESP Fit Center 856 is at -3.400731 3.495733 -0.006601 ESP Fit Center 857 is at -3.756294 3.270086 -0.006601 ESP Fit Center 858 is at -4.044570 2.963103 -0.006601 ESP Fit Center 859 is at -4.247446 2.594073 -0.006601 ESP Fit Center 860 is at -1.874044 3.380971 -0.441417 ESP Fit Center 861 is at -2.265422 3.543085 -0.441417 ESP Fit Center 862 is at -2.685422 3.598379 -0.441417 ESP Fit Center 863 is at -3.105422 3.543085 -0.441417 ESP Fit Center 864 is at -3.496799 3.380971 -0.441417 ESP Fit Center 865 is at -3.832883 3.123085 -0.441417 ESP Fit Center 866 is at -4.090769 2.787001 -0.441417 ESP Fit Center 867 is at -4.252883 2.395624 -0.441417 ESP Fit Center 868 is at -1.778292 3.113128 -0.846601 ESP Fit Center 869 is at -2.153879 3.329973 -0.846601 ESP Fit Center 870 is at -2.576695 3.426478 -0.846601 ESP Fit Center 871 is at -3.009172 3.394068 -0.846601 ESP Fit Center 872 is at -3.412883 3.235624 -0.846601 ESP Fit Center 873 is at -3.751955 2.965222 -0.846601 ESP Fit Center 874 is at -3.996262 2.606891 -0.846601 ESP Fit Center 875 is at -4.124094 2.192469 -0.846601 ESP Fit Center 876 is at -1.807524 2.775933 -1.194541 ESP Fit Center 877 is at -2.155911 3.039023 -1.194541 ESP Fit Center 878 is at -2.575812 3.158496 -1.194541 ESP Fit Center 879 is at -3.010517 3.118214 -1.194541 ESP Fit Center 880 is at -3.401315 2.923620 -1.194541 ESP Fit Center 881 is at -3.695428 2.600993 -1.194541 ESP Fit Center 882 is at -3.853134 2.193907 -1.194541 ESP Fit Center 883 is at -2.265422 2.703085 -1.461524 ESP Fit Center 884 is at -2.685422 2.815624 -1.461524 ESP Fit Center 885 is at -3.105422 2.703085 -1.461524 ESP Fit Center 886 is at -3.412883 2.395624 -1.461524 ESP Fit Center 887 is at -2.468014 2.352185 -1.629357 ESP Fit Center 888 is at -2.902830 2.352185 -1.629357 ESP Fit Center 889 is at 0.781047 -2.335818 1.561532 ESP Fit Center 890 is at 1.215863 -2.335818 1.561532 ESP Fit Center 891 is at 0.578455 -2.686718 1.393699 ESP Fit Center 892 is at 0.998455 -2.799257 1.393699 ESP Fit Center 893 is at 1.418455 -2.686718 1.393699 ESP Fit Center 894 is at 1.725916 -2.379257 1.393699 ESP Fit Center 895 is at 0.282561 -2.907253 1.126716 ESP Fit Center 896 is at 0.673360 -3.101847 1.126716 ESP Fit Center 897 is at 1.108064 -3.142128 1.126716 ESP Fit Center 898 is at 1.527965 -3.022656 1.126716 ESP Fit Center 899 is at 1.876353 -2.759566 1.126716 ESP Fit Center 900 is at 0.270993 -3.219257 0.778776 ESP Fit Center 901 is at 0.674704 -3.377701 0.778776 ESP Fit Center 902 is at 1.107181 -3.410111 0.778776 ESP Fit Center 903 is at 1.529998 -3.313606 0.778776 ESP Fit Center 904 is at 1.905584 -3.096761 0.778776 ESP Fit Center 905 is at 2.200568 -2.778844 0.778776 ESP Fit Center 906 is at 0.187077 -3.364604 0.373592 ESP Fit Center 907 is at 0.578455 -3.526718 0.373592 ESP Fit Center 908 is at 0.998455 -3.582012 0.373592 ESP Fit Center 909 is at 1.418455 -3.526718 0.373592 ESP Fit Center 910 is at 1.809832 -3.364604 0.373592 ESP Fit Center 911 is at 2.145916 -3.106718 0.373592 ESP Fit Center 912 is at 2.403802 -2.770634 0.373592 ESP Fit Center 913 is at -0.072418 -3.253719 -0.061224 ESP Fit Center 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is at 4.118124 -2.393544 2.175848 ESP Fit Center 1008 is at 1.408638 -1.864532 1.741032 ESP Fit Center 1009 is at 1.611514 -2.233562 1.741032 ESP Fit Center 1010 is at 1.899790 -2.540545 1.741032 ESP Fit Center 1011 is at 2.255353 -2.766192 1.741032 ESP Fit Center 1012 is at 2.655862 -2.896325 1.741032 ESP Fit Center 1013 is at 3.076151 -2.922768 1.741032 ESP Fit Center 1014 is at 3.489811 -2.843858 1.741032 ESP Fit Center 1015 is at 3.870852 -2.664554 1.741032 ESP Fit Center 1016 is at 4.195330 -2.396122 1.741032 ESP Fit Center 1017 is at 2.159285 -2.651430 1.306216 ESP Fit Center 1018 is at 2.550663 -2.813544 1.306216 ESP Fit Center 1019 is at 2.970663 -2.868838 1.306216 ESP Fit Center 1020 is at 3.390663 -2.813544 1.306216 ESP Fit Center 1021 is at 3.782040 -2.651430 1.306216 ESP Fit Center 1022 is at 2.646912 -2.664527 0.901032 ESP Fit Center 1023 is at 3.079389 -2.696937 0.901032 ESP Fit Center 1024 is at 3.502205 -2.600432 0.901032 ESP Fit Center 1025 is at 4.196732 -2.487355 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Fit Center 1044 is at 5.008109 -3.052702 -0.459118 ESP Fit Center 1045 is at 5.344193 -2.794816 -0.459118 ESP Fit Center 1046 is at 5.602079 -2.458733 -0.459118 ESP Fit Center 1047 is at 5.764193 -2.067355 -0.459118 ESP Fit Center 1048 is at 5.876732 -1.647355 -0.893934 ESP Fit Center 1049 is at 5.823951 -1.229556 -0.893934 ESP Fit Center 1050 is at 5.668927 -0.838009 -0.893934 ESP Fit Center 1051 is at 5.421399 -0.497316 -0.893934 ESP Fit Center 1052 is at 5.096921 -0.228884 -0.893934 ESP Fit Center 1053 is at 3.881931 -3.297597 -0.893934 ESP Fit Center 1054 is at 4.302220 -3.324040 -0.893934 ESP Fit Center 1055 is at 4.715880 -3.245130 -0.893934 ESP Fit Center 1056 is at 5.096921 -3.065826 -0.893934 ESP Fit Center 1057 is at 5.421399 -2.797394 -0.893934 ESP Fit Center 1058 is at 5.668927 -2.456701 -0.893934 ESP Fit Center 1059 is at 5.823951 -2.065154 -0.893934 ESP Fit Center 1060 is at 5.819487 -1.647355 -1.328750 ESP Fit Center 1061 is at 5.764193 -1.227355 -1.328750 ESP Fit Center 1062 is at 5.602079 -0.835977 -1.328750 ESP Fit Center 1063 is at 5.344193 -0.499894 -1.328750 ESP Fit Center 1064 is at 5.008109 -0.242007 -1.328750 ESP Fit Center 1065 is at 4.196732 -3.270110 -1.328750 ESP Fit Center 1066 is at 4.616732 -3.214816 -1.328750 ESP Fit Center 1067 is at 5.008109 -3.052702 -1.328750 ESP Fit Center 1068 is at 5.344193 -2.794816 -1.328750 ESP Fit Center 1069 is at 5.602079 -2.458733 -1.328750 ESP Fit Center 1070 is at 5.764193 -2.067355 -1.328750 ESP Fit Center 1071 is at 5.651654 -1.647355 -1.733934 ESP Fit Center 1072 is at 5.587016 -1.218509 -1.733934 ESP Fit Center 1073 is at 5.398845 -0.827768 -1.733934 ESP Fit Center 1074 is at 5.103861 -0.509851 -1.733934 ESP Fit Center 1075 is at 4.728275 -0.293006 -1.733934 ESP Fit Center 1076 is at 4.305458 -3.098209 -1.733934 ESP Fit Center 1077 is at 4.728275 -3.001704 -1.733934 ESP Fit Center 1078 is at 5.103861 -2.784859 -1.733934 ESP Fit Center 1079 is at 5.398845 -2.466942 -1.733934 ESP Fit Center 1080 is at 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0.293605 2.055691 ESP Fit Center 1099 is at -4.125523 0.293605 2.012860 ESP Fit Center 1100 is at -4.329277 0.646516 2.012860 ESP Fit Center 1101 is at -4.736784 0.646516 2.012860 ESP Fit Center 1102 is at -4.940537 0.293605 2.012860 ESP Fit Center 1103 is at -4.736784 -0.059307 2.012860 ESP Fit Center 1104 is at -4.329277 -0.059307 2.012860 ESP Fit Center 1105 is at -4.134428 0.984003 1.886240 ESP Fit Center 1106 is at -4.533030 1.090808 1.886240 ESP Fit Center 1107 is at -4.931632 0.984003 1.886240 ESP Fit Center 1108 is at -5.223429 0.692207 1.886240 ESP Fit Center 1109 is at -5.330234 0.293605 1.886240 ESP Fit Center 1110 is at -5.223429 -0.104997 1.886240 ESP Fit Center 1111 is at -4.931632 -0.396794 1.886240 ESP Fit Center 1112 is at -4.533030 -0.503599 1.886240 ESP Fit Center 1113 is at -4.019513 1.324886 1.681364 ESP Fit Center 1114 is at -4.426731 1.440749 1.681364 ESP Fit Center 1115 is at -4.848306 1.401685 1.681364 ESP Fit Center 1116 is at -5.227301 1.212968 1.681364 ESP Fit Center 1117 is at -5.512530 0.900086 1.681364 ESP Fit Center 1118 is at -5.665473 0.505295 1.681364 ESP Fit Center 1119 is at -5.665473 0.081914 1.681364 ESP Fit Center 1120 is at -5.512530 -0.312876 1.681364 ESP Fit Center 1121 is at -5.227301 -0.625758 1.681364 ESP Fit Center 1122 is at -4.848306 -0.814475 1.681364 ESP Fit Center 1123 is at -4.426731 -0.853540 1.681364 ESP Fit Center 1124 is at -3.927952 1.618542 1.407187 ESP Fit Center 1125 is at -4.325739 1.735343 1.407187 ESP Fit Center 1126 is at -4.740321 1.735343 1.407187 ESP Fit Center 1127 is at -5.138109 1.618542 1.407187 ESP Fit Center 1128 is at -5.486877 1.394402 1.407187 ESP Fit Center 1129 is at -5.758370 1.081083 1.407187 ESP Fit Center 1130 is at -5.930593 0.703966 1.407187 ESP Fit Center 1131 is at -5.989594 0.293605 1.407187 ESP Fit Center 1132 is at -5.930593 -0.116757 1.407187 ESP Fit Center 1133 is at -5.758370 -0.493873 1.407187 ESP Fit Center 1134 is at -5.486877 -0.807193 1.407187 ESP Fit Center 1135 is at 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0.701364 ESP Fit Center 1154 is at -5.695259 1.750994 0.701364 ESP Fit Center 1155 is at -5.990419 1.455834 0.701364 ESP Fit Center 1156 is at -6.212500 1.102395 0.701364 ESP Fit Center 1157 is at -6.350365 0.708399 0.701364 ESP Fit Center 1158 is at -6.397101 0.293605 0.701364 ESP Fit Center 1159 is at -6.350365 -0.121190 0.701364 ESP Fit Center 1160 is at -6.212500 -0.515185 0.701364 ESP Fit Center 1161 is at -5.990419 -0.868624 0.701364 ESP Fit Center 1162 is at -5.695259 -1.163785 0.701364 ESP Fit Center 1163 is at -5.341820 -1.385865 0.701364 ESP Fit Center 1164 is at -4.947825 -1.523730 0.701364 ESP Fit Center 1165 is at -4.427499 2.240009 0.300567 ESP Fit Center 1166 is at -4.848386 2.217189 0.300567 ESP Fit Center 1167 is at -5.254527 2.104424 0.300567 ESP Fit Center 1168 is at -5.626931 1.906988 0.300567 ESP Fit Center 1169 is at -5.948186 1.634112 0.300567 ESP Fit Center 1170 is at -6.203270 1.298555 0.300567 ESP Fit Center 1171 is at -6.380255 0.916007 0.300567 ESP Fit Center 1172 is at -6.470866 0.504357 0.300567 ESP Fit Center 1173 is at -6.470866 0.082852 0.300567 ESP Fit Center 1174 is at -6.380255 -0.328798 0.300567 ESP Fit Center 1175 is at -6.203270 -0.711345 0.300567 ESP Fit Center 1176 is at -5.948186 -1.046902 0.300567 ESP Fit Center 1177 is at -5.626931 -1.319779 0.300567 ESP Fit Center 1178 is at -5.254527 -1.517215 0.300567 ESP Fit Center 1179 is at -4.427499 2.240009 -0.109185 ESP Fit Center 1180 is at -4.848386 2.217189 -0.109185 ESP Fit Center 1181 is at -5.254527 2.104424 -0.109185 ESP Fit Center 1182 is at -5.626931 1.906988 -0.109185 ESP Fit Center 1183 is at -5.948186 1.634112 -0.109185 ESP Fit Center 1184 is at -6.203270 1.298555 -0.109185 ESP Fit Center 1185 is at -6.380255 0.916007 -0.109185 ESP Fit Center 1186 is at -6.470866 0.504357 -0.109185 ESP Fit Center 1187 is at -6.470866 0.082852 -0.109185 ESP Fit Center 1188 is at -6.380255 -0.328798 -0.109185 ESP Fit Center 1189 is at -6.203270 -0.711345 -0.109185 ESP Fit Center 1190 is at -5.948186 -1.046902 -0.109185 ESP Fit Center 1191 is at -5.626931 -1.319779 -0.109185 ESP Fit Center 1192 is at -5.254527 -1.517215 -0.109185 ESP Fit Center 1193 is at -4.533030 2.157675 -0.509982 ESP Fit Center 1194 is at -4.947825 2.110939 -0.509982 ESP Fit Center 1195 is at -5.341820 1.973074 -0.509982 ESP Fit Center 1196 is at -5.695259 1.750994 -0.509982 ESP Fit Center 1197 is at -5.990419 1.455834 -0.509982 ESP Fit Center 1198 is at -6.212500 1.102395 -0.509982 ESP Fit Center 1199 is at -6.350365 0.708399 -0.509982 ESP Fit Center 1200 is at -6.397101 0.293605 -0.509982 ESP Fit Center 1201 is at -6.350365 -0.121190 -0.509982 ESP Fit Center 1202 is at -6.212500 -0.515185 -0.509982 ESP Fit Center 1203 is at -5.990419 -0.868624 -0.509982 ESP Fit Center 1204 is at -5.695259 -1.163785 -0.509982 ESP Fit Center 1205 is at -5.341820 -1.385865 -0.509982 ESP Fit Center 1206 is at -4.947825 -1.523730 -0.509982 ESP Fit Center 1207 is at -4.426449 1.987665 -0.884309 ESP Fit Center 1208 is at -4.851093 1.960949 -0.884309 ESP Fit Center 1209 is at -5.255752 1.829467 -0.884309 ESP Fit Center 1210 is at -5.615000 1.601481 -0.884309 ESP Fit Center 1211 is at -5.906263 1.291317 -0.884309 ESP Fit Center 1212 is at -6.111242 0.918463 -0.884309 ESP Fit Center 1213 is at -6.217055 0.506346 -0.884309 ESP Fit Center 1214 is at -6.217055 0.080863 -0.884309 ESP Fit Center 1215 is at -6.111242 -0.331254 -0.884309 ESP Fit Center 1216 is at -5.906263 -0.704108 -0.884309 ESP Fit Center 1217 is at -5.615000 -1.014272 -0.884309 ESP Fit Center 1218 is at -5.255752 -1.242258 -0.884309 ESP Fit Center 1219 is at -4.851093 -1.373739 -0.884309 ESP Fit Center 1220 is at -4.325739 1.735343 -1.215805 ESP Fit Center 1221 is at -4.740321 1.735343 -1.215805 ESP Fit Center 1222 is at -5.138109 1.618542 -1.215805 ESP Fit Center 1223 is at -5.486877 1.394402 -1.215805 ESP Fit Center 1224 is at -5.758370 1.081083 -1.215805 ESP Fit Center 1225 is at -5.930593 0.703966 -1.215805 ESP Fit Center 1226 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ESP Fit Center 1316 is at -1.045478 -1.693870 -2.286545 ESP Fit Center 1317 is at -1.465478 -1.581331 -2.286545 ESP Fit Center 1318 is at -1.885478 -1.693870 -2.286545 ESP Fit Center 1319 is at -2.192940 -2.001331 -2.286545 ESP Fit Center 1320 is at -2.305478 -2.421331 -2.286545 ESP Fit Center 1321 is at -2.192940 -2.841331 -2.286545 ESP Fit Center 1322 is at -1.885478 -3.148793 -2.286545 ESP Fit Center 1323 is at -1.465478 -3.261331 -2.286545 ESP Fit Center 1324 is at -1.045478 -3.148793 -2.286545 ESP Fit Center 1325 is at -0.738017 -2.841331 -2.286545 ESP Fit Center 1326 is at -1.030662 -2.421331 -2.454378 ESP Fit Center 1327 is at -1.248070 -2.044770 -2.454378 ESP Fit Center 1328 is at -1.682886 -2.044770 -2.454378 ESP Fit Center 1329 is at -1.900294 -2.421331 -2.454378 ESP Fit Center 1330 is at -1.682886 -2.797893 -2.454378 ESP Fit Center 1331 is at -1.248070 -2.797893 -2.454378 ESP Fit Center 1332 is at -1.465478 -2.421331 -2.511623 ESP Fit Center 1333 is at -2.963250 -1.318251 2.030908 ESP Fit Center 1334 is at -2.555743 -1.318251 1.988078 ESP Fit Center 1335 is at -2.759497 -0.965340 1.988078 ESP Fit Center 1336 is at -3.167004 -0.965340 1.988078 ESP Fit Center 1337 is at -3.370757 -1.318251 1.988078 ESP Fit Center 1338 is at -3.167004 -1.671163 1.988078 ESP Fit Center 1339 is at -2.759497 -1.671163 1.988078 ESP Fit Center 1340 is at -2.272852 -0.919649 1.861458 ESP Fit Center 1341 is at -3.760454 -1.318251 1.861458 ESP Fit Center 1342 is at -3.653649 -1.716853 1.861458 ESP Fit Center 1343 is at -3.361852 -2.008650 1.861458 ESP Fit Center 1344 is at -2.963250 -2.115455 1.861458 ESP Fit Center 1345 is at -4.095693 -1.529942 1.656582 ESP Fit Center 1346 is at -3.942751 -1.924732 1.656582 ESP Fit Center 1347 is at -3.657521 -2.237614 1.656582 ESP Fit Center 1348 is at -3.278526 -2.426331 1.656582 ESP Fit Center 1349 is at -4.419814 -1.318251 1.382404 ESP Fit Center 1350 is at -4.360813 -1.728613 1.382404 ESP Fit Center 1351 is at -4.188590 -2.105729 1.382404 ESP Fit Center 1352 is at -3.917097 -2.419049 1.382404 ESP Fit Center 1353 is at -3.568329 -2.643188 1.382404 ESP Fit Center 1354 is at -3.170541 -2.759989 1.382404 ESP Fit Center 1355 is at -4.647276 -1.530993 1.050908 ESP Fit Center 1356 is at -4.541462 -1.943110 1.050908 ESP Fit Center 1357 is at -4.336484 -2.315964 1.050908 ESP Fit Center 1358 is at -4.045220 -2.626128 1.050908 ESP Fit Center 1359 is at -3.685972 -2.854114 1.050908 ESP Fit Center 1360 is at -3.281313 -2.985595 1.050908 ESP Fit Center 1361 is at -4.780585 -1.733046 0.676582 ESP Fit Center 1362 is at -4.642720 -2.127041 0.676582 ESP Fit Center 1363 is at -4.420640 -2.480480 0.676582 ESP Fit Center 1364 is at -4.125479 -2.775641 0.676582 ESP Fit Center 1365 is at -3.772040 -2.997721 0.676582 ESP Fit Center 1366 is at -3.378045 -3.135586 0.676582 ESP Fit Center 1367 is at -4.810476 -1.940654 0.275784 ESP Fit Center 1368 is at -4.633490 -2.323201 0.275784 ESP Fit Center 1369 is at -4.378406 -2.658758 0.275784 ESP Fit Center 1370 is at -4.057152 -2.931635 0.275784 ESP Fit Center 1371 is at -3.684747 -3.129071 0.275784 ESP Fit Center 1372 is at -3.278606 -3.241836 0.275784 ESP Fit Center 1373 is at -4.810476 -1.940654 -0.133967 ESP Fit Center 1374 is at -4.633490 -2.323201 -0.133967 ESP Fit Center 1375 is at -4.378406 -2.658758 -0.133967 ESP Fit Center 1376 is at -4.057152 -2.931635 -0.133967 ESP Fit Center 1377 is at -3.684747 -3.129071 -0.133967 ESP Fit Center 1378 is at -3.278606 -3.241836 -0.133967 ESP Fit Center 1379 is at -4.780585 -1.733046 -0.534765 ESP Fit Center 1380 is at -4.642720 -2.127041 -0.534765 ESP Fit Center 1381 is at -4.420640 -2.480480 -0.534765 ESP Fit Center 1382 is at -4.125479 -2.775641 -0.534765 ESP Fit Center 1383 is at -3.772040 -2.997721 -0.534765 ESP Fit Center 1384 is at -3.378045 -3.135586 -0.534765 ESP Fit Center 1385 is at -4.647276 -1.530993 -0.909092 ESP Fit Center 1386 is at -4.541462 -1.943110 -0.909092 ESP Fit Center 1387 is at -4.336484 -2.315964 -0.909092 ESP Fit Center 1388 is at -4.045220 -2.626128 -0.909092 ESP Fit Center 1389 is at -3.685972 -2.854114 -0.909092 ESP Fit Center 1390 is at -3.281313 -2.985595 -0.909092 ESP Fit Center 1391 is at -4.419814 -1.318251 -1.240588 ESP Fit Center 1392 is at -4.360813 -1.728613 -1.240588 ESP Fit Center 1393 is at -4.188590 -2.105729 -1.240588 ESP Fit Center 1394 is at -3.917097 -2.419049 -1.240588 ESP Fit Center 1395 is at -3.568329 -2.643188 -1.240588 ESP Fit Center 1396 is at -3.170541 -2.759989 -1.240588 ESP Fit Center 1397 is at -4.095693 -1.529942 -1.514765 ESP Fit Center 1398 is at -3.942751 -1.924732 -1.514765 ESP Fit Center 1399 is at -3.657521 -2.237614 -1.514765 ESP Fit Center 1400 is at -3.278526 -2.426331 -1.514765 ESP Fit Center 1401 is at -3.760454 -1.318251 -1.719641 ESP Fit Center 1402 is at -3.653649 -1.716853 -1.719641 ESP Fit Center 1403 is at -3.361852 -2.008650 -1.719641 ESP Fit Center 1404 is at -2.963250 -2.115455 -1.719641 ESP Fit Center 1405 is at -2.555743 -1.318251 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2.362551 ESP Fit Center 1424 is at -2.129817 -1.964160 2.362551 ESP Fit Center 1425 is at -2.242355 -2.384160 2.362551 ESP Fit Center 1426 is at -2.129817 -2.804160 2.362551 ESP Fit Center 1427 is at -1.822355 -3.111621 2.362551 ESP Fit Center 1428 is at -1.402355 -3.224160 2.362551 ESP Fit Center 1429 is at -0.982355 -3.111621 2.362551 ESP Fit Center 1430 is at -0.674894 -2.804160 2.362551 ESP Fit Center 1431 is at -0.214416 -2.384160 2.095568 ESP Fit Center 1432 is at -0.294635 -1.955026 2.095568 ESP Fit Center 1433 is at -0.524458 -1.583850 2.095568 ESP Fit Center 1434 is at -0.872845 -1.320760 2.095568 ESP Fit Center 1435 is at -1.292746 -1.201288 2.095568 ESP Fit Center 1436 is at -1.727450 -1.241569 2.095568 ESP Fit Center 1437 is at -2.118249 -1.436164 2.095568 ESP Fit Center 1438 is at -2.412362 -1.758790 2.095568 ESP Fit Center 1439 is at -2.570068 -2.165876 2.095568 ESP Fit Center 1440 is at -2.570068 -2.602443 2.095568 ESP Fit Center 1441 is at -2.412362 -3.009529 2.095568 ESP Fit Center 1442 is at -2.118249 -3.332156 2.095568 ESP Fit Center 1443 is at -1.727450 -3.526750 2.095568 ESP Fit Center 1444 is at -1.292746 -3.567031 2.095568 ESP Fit Center 1445 is at -0.872845 -3.447559 2.095568 ESP Fit Center 1446 is at -0.524458 -3.184469 2.095568 ESP Fit Center 1447 is at -0.294635 -2.813293 2.095568 ESP Fit Center 1448 is at 0.052567 -2.384160 1.747628 ESP Fit Center 1449 is at -0.012071 -1.955314 1.747628 ESP Fit Center 1450 is at -2.841028 -2.601005 1.747628 ESP Fit Center 1451 is at -2.713195 -3.015427 1.747628 ESP Fit Center 1452 is at -2.468889 -3.373758 1.747628 ESP Fit Center 1453 is at -2.129817 -3.644160 1.747628 ESP Fit Center 1454 is at -1.726106 -3.802604 1.747628 ESP Fit Center 1455 is at -1.293629 -3.835014 1.747628 ESP Fit Center 1456 is at -0.870812 -3.738509 1.747628 ESP Fit Center 1457 is at -0.495226 -3.521664 1.747628 ESP Fit Center 1458 is at -0.200242 -3.203747 1.747628 ESP Fit Center 1459 is at -0.012071 -2.813006 1.747628 ESP Fit Center 1460 is at -2.807703 -3.195537 1.342444 ESP Fit Center 1461 is at -2.549817 -3.531621 1.342444 ESP Fit Center 1462 is at -2.213733 -3.789507 1.342444 ESP Fit Center 1463 is at -1.822355 -3.951621 1.342444 ESP Fit Center 1464 is at -1.402355 -4.006915 1.342444 ESP Fit Center 1465 is at -0.982355 -3.951621 1.342444 ESP Fit Center 1466 is at -0.590978 -3.789507 1.342444 ESP Fit Center 1467 is at -0.254894 -3.531621 1.342444 ESP Fit Center 1468 is at 0.002992 -3.195537 1.342444 ESP Fit Center 1469 is at 0.165106 -2.804160 1.342444 ESP Fit Center 1470 is at -2.761504 -3.371639 0.907628 ESP Fit Center 1471 is at -2.473228 -3.678622 0.907628 ESP Fit Center 1472 is at -2.117665 -3.904269 0.907628 ESP Fit Center 1473 is at -1.717156 -4.034402 0.907628 ESP Fit Center 1474 is at -1.296867 -4.060845 0.907628 ESP Fit Center 1475 is at -0.883207 -3.981935 0.907628 ESP Fit Center 1476 is at -0.502166 -3.802631 0.907628 ESP Fit Center 1477 is at -0.177688 -3.534199 0.907628 ESP Fit Center 1478 is at 0.069840 -3.193506 0.907628 ESP Fit Center 1479 is at -2.213733 -3.789507 0.472812 ESP Fit Center 1480 is at -1.822355 -3.951621 0.472812 ESP Fit Center 1481 is at -1.402355 -4.006915 0.472812 ESP Fit Center 1482 is at -0.982355 -3.951621 0.472812 ESP Fit Center 1483 is at -0.590978 -3.789507 0.472812 ESP Fit Center 1484 is at -0.254894 -3.531621 0.472812 ESP Fit Center 1485 is at -1.293629 -3.835014 0.067628 ESP Fit Center 1486 is at -0.870812 -3.738509 0.067628 ESP Fit Center 1487 is at 2.603944 0.487412 -2.425402 ESP Fit Center 1488 is at 2.303492 0.186961 -2.425402 ESP Fit Center 1489 is at 3.222746 0.137458 -2.533678 ESP Fit Center 1490 is at 2.805990 0.137458 -2.533678 ESP Fit Center 1491 is at 3.520158 -0.418422 3.669025 ESP Fit Center 1492 is at 3.936914 -0.418422 3.632563 ESP Fit Center 1493 is at 3.103402 -0.418422 3.632563 ESP Fit Center 1494 is at 3.311780 -0.779343 3.632563 ESP Fit Center 1495 is at 3.728536 -0.779343 3.632563 ESP Fit Center 1496 is at 4.341006 -0.418422 3.524287 ESP Fit Center 1497 is at 4.231033 -0.007998 3.524287 ESP Fit Center 1498 is at 2.699310 -0.418422 3.524287 ESP Fit Center 1499 is at 3.930582 -1.129298 3.524287 ESP Fit Center 1500 is at 4.231033 -0.828847 3.524287 ESP Fit Center 1501 is at 4.720158 -0.418422 3.347486 ESP Fit Center 1502 is at 4.647789 -0.007998 3.347486 ESP Fit Center 1503 is at 2.320158 -0.418422 3.347486 ESP Fit Center 1504 is at 4.120158 -1.457653 3.347486 ESP Fit Center 1505 is at 4.439411 -1.189768 3.347486 ESP Fit Center 1506 is at 4.647789 -0.828847 3.347486 ESP Fit Center 1507 is at 5.062848 -0.418422 3.107531 ESP Fit Center 1508 is at 5.005641 -0.002210 3.107531 ESP Fit Center 1509 is at 4.838262 0.383135 3.107531 ESP Fit Center 1510 is at 1.991836 -0.208359 3.107531 ESP Fit Center 1511 is at 4.229896 -1.788154 3.107531 ESP Fit Center 1512 is at 4.573126 -1.545876 3.107531 ESP Fit Center 1513 is at 4.838262 -1.219980 3.107531 ESP Fit Center 1514 is at 5.163107 0.406698 2.811715 ESP Fit Center 1515 is at 1.694083 -0.204985 2.811715 ESP Fit Center 1516 is at 4.618038 -1.893131 2.811715 ESP Fit Center 1517 is at 5.226083 0.768936 2.469025 ESP Fit Center 1518 is at 1.537017 0.203792 2.469025 ESP Fit Center 1519 is at 1.452361 -0.208148 2.469025 ESP Fit Center 1520 is at 4.619589 -2.182296 2.469025 ESP Fit Center 1521 is at 5.152368 1.137887 2.089873 ESP Fit Center 1522 is at 4.457028 -2.469881 2.089873 ESP Fit Center 1523 is at 5.300071 1.136641 1.685780 ESP Fit Center 1524 is at 5.358665 1.124268 1.269025 ESP Fit Center 1525 is at 5.062848 1.420084 1.269025 ESP Fit Center 1526 is at 4.341006 -2.673685 1.269025 ESP Fit Center 1527 is at 5.300071 1.136641 0.852269 ESP Fit Center 1528 is at 4.993800 1.429466 0.852269 ESP Fit Center 1529 is at 4.640165 1.662899 0.852269 ESP Fit Center 1530 is at 3.837423 -2.760570 0.852269 ESP Fit Center 1531 is at 4.250531 -2.666281 0.852269 ESP Fit Center 1532 is at 5.152368 1.137887 0.448176 ESP Fit Center 1533 is at 3.015909 -2.930829 0.767427 ESP Fit Center 1534 is at 3.445438 -2.930829 0.767427 ESP Fit Center 1535 is at 3.857567 -2.809817 0.767427 ESP Fit Center 1536 is at 2.717996 -3.149573 0.461948 ESP Fit Center 1537 is at 3.126736 -3.221645 0.461948 ESP Fit Center 1538 is at 3.541080 -3.197512 0.461948 ESP Fit Center 1539 is at 3.938689 -3.078476 0.461948 ESP Fit Center 1540 is at 2.611043 -3.344137 0.110501 ESP Fit Center 1541 is at 3.021076 -3.431292 0.110501 ESP Fit Center 1542 is at 3.440270 -3.431292 0.110501 ESP Fit Center 1543 is at 3.850304 -3.344137 0.110501 ESP Fit Center 1544 is at 2.406186 -3.427600 -0.274948 ESP Fit Center 1545 is at 2.810353 -3.550202 -0.274948 ESP Fit Center 1546 is at 3.230673 -3.591600 -0.274948 ESP Fit Center 1547 is at 3.650993 -3.550202 -0.274948 ESP Fit Center 1548 is at 2.501166 -3.544883 -0.681272 ESP Fit Center 1549 is at 2.913248 -3.644853 -0.681272 ESP Fit Center 1550 is at 3.336802 -3.665029 -0.681272 ESP Fit Center 1551 is at 3.756521 -3.604683 -0.681272 ESP Fit Center 1552 is at 2.115451 -3.368733 -1.094634 ESP Fit Center 1553 is at 2.501166 -3.544883 -1.094634 ESP Fit Center 1554 is at 2.913248 -3.644853 -1.094634 ESP Fit Center 1555 is at 3.336802 -3.665029 -1.094634 ESP Fit Center 1556 is at 3.756521 -3.604683 -1.094634 ESP Fit Center 1557 is at 2.033703 -3.228503 -1.500958 ESP Fit Center 1558 is at 2.406186 -3.427600 -1.500958 ESP Fit Center 1559 is at 2.810353 -3.550202 -1.500958 ESP Fit Center 1560 is at 3.230673 -3.591600 -1.500958 ESP Fit Center 1561 is at 3.650993 -3.550202 -1.500958 ESP Fit Center 1562 is at 1.608460 -2.615718 -1.886407 ESP Fit Center 1563 is at 1.888956 -2.927239 -1.886407 ESP Fit Center 1564 is at 2.228090 -3.173635 -1.886407 ESP Fit Center 1565 is at 2.611043 -3.344137 -1.886407 ESP Fit Center 1566 is at 3.021076 -3.431292 -1.886407 ESP Fit Center 1567 is at 3.440270 -3.431292 -1.886407 ESP Fit Center 1568 is at 3.850304 -3.344137 -1.886407 ESP Fit Center 1569 is at 4.600023 -0.288090 -2.237855 ESP Fit Center 1570 is at 1.455202 -1.644634 -2.237855 ESP Fit Center 1571 is at 1.550918 -2.048492 -2.237855 ESP Fit Center 1572 is at 1.737190 -2.419390 -2.237855 ESP Fit Center 1573 is at 2.003976 -2.737334 -2.237855 ESP Fit Center 1574 is at 2.336894 -2.985182 -2.237855 ESP Fit Center 1575 is at 2.717996 -3.149573 -2.237855 ESP Fit Center 1576 is at 3.126736 -3.221645 -2.237855 ESP Fit Center 1577 is at 3.541080 -3.197512 -2.237855 ESP Fit Center 1578 is at 3.938689 -3.078476 -2.237855 ESP Fit Center 1579 is at 4.500191 -0.621242 -2.543333 ESP Fit Center 1580 is at 4.218909 -0.296626 -2.543333 ESP Fit Center 1581 is at 3.857567 -0.064405 -2.543333 ESP Fit Center 1582 is at 3.445438 0.056607 -2.543333 ESP Fit Center 1583 is at 2.603780 -0.064405 -2.543333 ESP Fit Center 1584 is at 2.242437 -0.296626 -2.543333 ESP Fit Center 1585 is at 1.961156 -0.621242 -2.543333 ESP Fit Center 1586 is at 1.782723 -1.011954 -2.543333 ESP Fit Center 1587 is at 1.721595 -1.437111 -2.543333 ESP Fit Center 1588 is at 1.782723 -1.862267 -2.543333 ESP Fit Center 1589 is at 1.961156 -2.252980 -2.543333 ESP Fit Center 1590 is at 2.242437 -2.577596 -2.543333 ESP Fit Center 1591 is at 2.603780 -2.809817 -2.543333 ESP Fit Center 1592 is at 3.015909 -2.930829 -2.543333 ESP Fit Center 1593 is at 3.445438 -2.930829 -2.543333 ESP Fit Center 1594 is at 3.857567 -2.809817 -2.543333 ESP Fit Center 1595 is at 4.409881 -1.437111 -2.792440 ESP Fit Center 1596 is at 4.330252 -1.011132 -2.792440 ESP Fit Center 1597 is at 4.102119 -0.642684 -2.792440 ESP Fit Center 1598 is at 3.756292 -0.381527 -2.792440 ESP Fit Center 1599 is at 3.339477 -0.262933 -2.792440 ESP Fit Center 1600 is at 2.907968 -0.302918 -2.792440 ESP Fit Center 1601 is at 2.520042 -0.496083 -2.792440 ESP Fit Center 1602 is at 2.228090 -0.816338 -2.792440 ESP Fit Center 1603 is at 2.071544 -1.220432 -2.792440 ESP Fit Center 1604 is at 2.071544 -1.653790 -2.792440 ESP Fit Center 1605 is at 2.228090 -2.057884 -2.792440 ESP Fit Center 1606 is at 2.520042 -2.378139 -2.792440 ESP Fit Center 1607 is at 2.907968 -2.571303 -2.792440 ESP Fit Center 1608 is at 3.339477 -2.611289 -2.792440 ESP Fit Center 1609 is at 3.756292 -2.492695 -2.792440 ESP Fit Center 1610 is at 4.102119 -2.231538 -2.792440 ESP Fit Center 1611 is at 4.039855 -1.437111 -2.976691 ESP Fit Center 1612 is at 3.931445 -1.032520 -2.976691 ESP Fit Center 1613 is at 3.635264 -0.736339 -2.976691 ESP Fit Center 1614 is at 3.230673 -0.627930 -2.976691 ESP Fit Center 1615 is at 2.826083 -0.736339 -2.976691 ESP Fit Center 1616 is at 2.529902 -1.032520 -2.976691 ESP Fit Center 1617 is at 2.421492 -1.437111 -2.976691 ESP Fit Center 1618 is at 2.529902 -1.841702 -2.976691 ESP Fit Center 1619 is at 2.826083 -2.137882 -2.976691 ESP Fit Center 1620 is at 3.230673 -2.246292 -2.976691 ESP Fit Center 1621 is at 3.635264 -2.137882 -2.976691 ESP Fit Center 1622 is at 3.931445 -1.841702 -2.976691 ESP Fit Center 1623 is at 3.642272 -1.437111 -3.089813 ESP Fit Center 1624 is at 3.436473 -1.080656 -3.089813 ESP Fit Center 1625 is at 3.024874 -1.080656 -3.089813 ESP Fit Center 1626 is at 2.819074 -1.437111 -3.089813 ESP Fit Center 1627 is at 3.024874 -1.793566 -3.089813 ESP Fit Center 1628 is at 3.436473 -1.793566 -3.089813 ESP Fit Center 1629 is at 3.230673 -1.437111 -3.127953 ESP Fit Center 1630 is at -2.387594 1.028154 2.401602 ESP Fit Center 1631 is at -1.970838 1.028154 2.365141 ESP Fit Center 1632 is at -2.179216 1.389075 2.365141 ESP Fit Center 1633 is at -2.595971 1.389075 2.365141 ESP Fit Center 1634 is at -2.804349 1.028154 2.365141 ESP Fit Center 1635 is at -2.595971 0.667233 2.365141 ESP Fit Center 1636 is at -2.179216 0.667233 2.365141 ESP Fit Center 1637 is at -1.676718 1.438578 2.256864 ESP Fit Center 1638 is at -1.977169 1.739029 2.256864 ESP Fit Center 1639 is at -2.387594 1.849002 2.256864 ESP Fit Center 1640 is at -2.798018 1.739029 2.256864 ESP Fit Center 1641 is at -3.098469 1.438578 2.256864 ESP Fit Center 1642 is at -3.208442 1.028154 2.256864 ESP Fit Center 1643 is at -2.387594 0.207305 2.256864 ESP Fit Center 1644 is at -1.977169 0.317278 2.256864 ESP Fit Center 1645 is at -1.468340 1.799499 2.080063 ESP Fit Center 1646 is at -1.787594 2.067384 2.080063 ESP Fit Center 1647 is at -2.179216 2.209923 2.080063 ESP Fit Center 1648 is at -2.595971 2.209923 2.080063 ESP Fit Center 1649 is at -2.987594 2.067384 2.080063 ESP Fit Center 1650 is at -3.306847 1.799499 2.080063 ESP Fit Center 1651 is at -3.515225 1.438578 2.080063 ESP Fit Center 1652 is at -1.677856 2.397886 1.840109 ESP Fit Center 1653 is at -2.073724 2.538577 1.840109 ESP Fit Center 1654 is at -2.492870 2.567248 1.840109 ESP Fit Center 1655 is at -2.904209 2.481771 1.840109 ESP Fit Center 1656 is at -3.277233 2.288485 1.840109 ESP Fit Center 1657 is at -3.584276 2.001727 1.840109 ESP Fit Center 1658 is at -3.802567 1.642763 1.840109 ESP Fit Center 1659 is at -1.659398 2.716300 1.544292 ESP Fit Center 1660 is at -3.923643 2.038430 1.544292 ESP Fit Center 1661 is at -3.923643 2.038430 -1.541088 ESP Fit Center 1662 is at -1.677856 2.397886 -1.836905 ESP Fit Center 1663 is at -2.073724 2.538577 -1.836905 ESP Fit Center 1664 is at -2.492870 2.567248 -1.836905 ESP Fit Center 1665 is at -3.277233 2.288485 -1.836905 ESP Fit Center 1666 is at -3.584276 2.001727 -1.836905 ESP Fit Center 1667 is at -3.802567 1.642763 -1.836905 ESP Fit Center 1668 is at -1.787594 2.067384 -2.076859 ESP Fit Center 1669 is at -2.179216 2.209923 -2.076859 ESP Fit Center 1670 is at -2.595971 2.209923 -2.076859 ESP Fit Center 1671 is at -2.987594 2.067384 -2.076859 ESP Fit Center 1672 is at -3.306847 1.799499 -2.076859 ESP Fit Center 1673 is at -3.515225 1.438578 -2.076859 ESP Fit Center 1674 is at -2.179216 -0.153616 -2.076859 ESP Fit Center 1675 is at -1.676718 1.438578 -2.253660 ESP Fit Center 1676 is at -1.977169 1.739029 -2.253660 ESP Fit Center 1677 is at -2.387594 1.849002 -2.253660 ESP Fit Center 1678 is at -2.798018 1.739029 -2.253660 ESP Fit Center 1679 is at -3.098469 1.438578 -2.253660 ESP Fit Center 1680 is at -3.208442 1.028154 -2.253660 ESP Fit Center 1681 is at -3.098469 0.617730 -2.253660 ESP Fit Center 1682 is at -2.387594 0.207305 -2.253660 ESP Fit Center 1683 is at -1.977169 0.317278 -2.253660 ESP Fit Center 1684 is at -1.970838 1.028154 -2.361937 ESP Fit Center 1685 is at -2.179216 1.389075 -2.361937 ESP Fit Center 1686 is at -2.595971 1.389075 -2.361937 ESP Fit Center 1687 is at -2.804349 1.028154 -2.361937 ESP Fit Center 1688 is at -2.595971 0.667233 -2.361937 ESP Fit Center 1689 is at -2.179216 0.667233 -2.361937 ESP Fit Center 1690 is at -2.387594 1.028154 -2.398398 ESP Fit Center 1691 is at -1.041376 0.733971 2.358604 ESP Fit Center 1692 is at -0.624620 0.733971 2.322143 ESP Fit Center 1693 is at -0.832998 1.094892 2.322143 ESP Fit Center 1694 is at -1.249754 1.094892 2.322143 ESP Fit Center 1695 is at -1.458132 0.733971 2.322143 ESP Fit Center 1696 is at -1.249754 0.373050 2.322143 ESP Fit Center 1697 is at -0.832998 0.373050 2.322143 ESP Fit Center 1698 is at -0.220528 0.733971 2.213866 ESP Fit Center 1699 is at -1.041376 1.554819 2.213866 ESP Fit Center 1700 is at -1.451800 1.444846 2.213866 ESP Fit Center 1701 is at -1.752252 0.323547 2.213866 ESP Fit Center 1702 is at -1.451800 0.023095 2.213866 ESP Fit Center 1703 is at -0.330501 0.323547 2.213866 ESP Fit Center 1704 is at -1.960629 -0.037374 -2.119857 ESP Fit Center 1705 is at 0.086255 0.323547 -2.119857 ESP Fit Center 1706 is at -1.451800 1.444846 -2.296658 ESP Fit Center 1707 is at -1.752252 0.323547 -2.296658 ESP Fit Center 1708 is at -1.451800 0.023095 -2.296658 ESP Fit Center 1709 is at -0.330501 0.323547 -2.296658 ESP Fit Center 1710 is at -0.624620 0.733971 -2.404934 ESP Fit Center 1711 is at -0.832998 1.094892 -2.404934 ESP Fit Center 1712 is at -1.249754 1.094892 -2.404934 ESP Fit Center 1713 is at -1.458132 0.733971 -2.404934 ESP Fit Center 1714 is at -1.249754 0.373050 -2.404934 ESP Fit Center 1715 is at -0.832998 0.373050 -2.404934 ESP Fit Center 1716 is at -1.041376 0.733971 -2.441396 ESP Fit Center 1717 is at -0.188502 1.677815 2.307918 ESP Fit Center 1718 is at 0.228254 1.677815 2.271457 ESP Fit Center 1719 is at 0.019876 2.038736 2.271457 ESP Fit Center 1720 is at -0.396879 2.038736 2.271457 ESP Fit Center 1721 is at -0.605257 1.677815 2.271457 ESP Fit Center 1722 is at -0.396879 1.316894 2.271457 ESP Fit Center 1723 is at 0.019876 1.316894 2.271457 ESP Fit Center 1724 is at 0.522374 2.088239 2.163181 ESP Fit Center 1725 is at 0.221923 2.388691 2.163181 ESP Fit Center 1726 is at -0.188502 2.498664 2.163181 ESP Fit Center 1727 is at -0.598926 2.388691 2.163181 ESP Fit Center 1728 is at -0.899377 2.088239 2.163181 ESP Fit Center 1729 is at 0.221923 0.966940 2.163181 ESP Fit Center 1730 is at 0.730752 2.449160 1.986379 ESP Fit Center 1731 is at 0.411498 2.717046 1.986379 ESP Fit Center 1732 is at 0.019876 2.859584 1.986379 ESP Fit Center 1733 is at -0.396879 2.859584 1.986379 ESP Fit Center 1734 is at -0.788502 2.717046 1.986379 ESP Fit Center 1735 is at -1.107755 2.449160 1.986379 ESP Fit Center 1736 is at -1.316133 2.088239 1.986379 ESP Fit Center 1737 is at 0.521236 3.047547 1.746425 ESP Fit Center 1738 is at 0.125368 3.188239 1.746425 ESP Fit Center 1739 is at -0.293779 3.216909 1.746425 ESP Fit Center 1740 is at -0.705117 3.131432 1.746425 ESP Fit Center 1741 is at -1.078141 2.938147 1.746425 ESP Fit Center 1742 is at -1.385184 2.651388 1.746425 ESP Fit Center 1743 is at 0.539694 3.365962 1.450609 ESP Fit Center 1744 is at 0.130752 3.488391 1.450609 ESP Fit Center 1745 is at -0.295401 3.513211 1.450609 ESP Fit Center 1746 is at -0.715791 3.439085 1.450609 ESP Fit Center 1747 is at -1.107755 3.270009 1.450609 ESP Fit Center 1748 is at -1.450161 3.015096 1.450609 ESP Fit Center 1749 is at 0.533359 3.626896 1.107918 ESP Fit Center 1750 is at 0.126235 3.732308 1.107918 ESP Fit Center 1751 is at -0.293774 3.753608 1.107918 ESP Fit Center 1752 is at -0.709473 3.689926 1.107918 ESP Fit Center 1753 is at -1.103844 3.543867 1.107918 ESP Fit Center 1754 is at -1.460740 3.321412 1.107918 ESP Fit Center 1755 is at 0.343197 3.869505 0.728767 ESP Fit Center 1756 is at -0.081192 3.930523 0.728767 ESP Fit Center 1757 is at -0.509459 3.910122 0.728767 ESP Fit Center 1758 is at -0.926126 3.809040 0.728767 ESP Fit Center 1759 is at -1.316133 3.630930 0.728767 ESP Fit Center 1760 is at 0.128764 4.019963 0.324674 ESP Fit Center 1761 is at -0.294541 4.038974 0.324674 ESP Fit Center 1762 is at -0.714438 3.982095 0.324674 ESP Fit Center 1763 is at -1.117431 3.851155 0.324674 ESP Fit Center 1764 is at -1.490568 3.650361 0.324674 ESP Fit Center 1765 is at 0.228254 4.041354 -0.092082 ESP Fit Center 1766 is at -0.188502 4.077815 -0.092082 ESP Fit Center 1767 is at -0.605257 4.041354 -0.092082 ESP Fit Center 1768 is at -1.009350 3.933077 -0.092082 ESP Fit Center 1769 is at -1.388502 3.756276 -0.092082 ESP Fit Center 1770 is at 0.128764 4.019963 -0.508837 ESP Fit Center 1771 is at -0.294541 4.038974 -0.508837 ESP Fit Center 1772 is at -0.714438 3.982095 -0.508837 ESP Fit Center 1773 is at -1.117431 3.851155 -0.508837 ESP Fit Center 1774 is at -1.490568 3.650361 -0.508837 ESP Fit Center 1775 is at 0.343197 3.869505 -0.912930 ESP Fit Center 1776 is at -0.081192 3.930523 -0.912930 ESP Fit Center 1777 is at -0.509459 3.910122 -0.912930 ESP Fit Center 1778 is at -0.926126 3.809040 -0.912930 ESP Fit Center 1779 is at -1.316133 3.630930 -0.912930 ESP Fit Center 1780 is at -1.665384 3.382229 -0.912930 ESP Fit Center 1781 is at 0.533359 3.626896 -1.292082 ESP Fit Center 1782 is at 0.126235 3.732308 -1.292082 ESP Fit Center 1783 is at -0.293774 3.753608 -1.292082 ESP Fit Center 1784 is at -0.709473 3.689926 -1.292082 ESP Fit Center 1785 is at -1.103844 3.543867 -1.292082 ESP Fit Center 1786 is at -1.460740 3.321412 -1.292082 ESP Fit Center 1787 is at 0.539694 3.365962 -1.634772 ESP Fit Center 1788 is at 0.130752 3.488391 -1.634772 ESP Fit Center 1789 is at -0.295401 3.513211 -1.634772 ESP Fit Center 1790 is at -0.715791 3.439085 -1.634772 ESP Fit Center 1791 is at -1.107755 3.270009 -1.634772 ESP Fit Center 1792 is at -1.450161 3.015096 -1.634772 ESP Fit Center 1793 is at -1.724552 2.688091 -1.634772 ESP Fit Center 1794 is at 0.521236 3.047547 -1.930588 ESP Fit Center 1795 is at 0.125368 3.188239 -1.930588 ESP Fit Center 1796 is at -0.293779 3.216909 -1.930588 ESP Fit Center 1797 is at -0.705117 3.131432 -1.930588 ESP Fit Center 1798 is at -1.078141 2.938147 -1.930588 ESP Fit Center 1799 is at -1.385184 2.651388 -1.930588 ESP Fit Center 1800 is at -1.603475 2.292425 -1.930588 ESP Fit Center 1801 is at 0.411498 2.717046 -2.170543 ESP Fit Center 1802 is at 0.019876 2.859584 -2.170543 ESP Fit Center 1803 is at -0.396879 2.859584 -2.170543 ESP Fit Center 1804 is at -0.788502 2.717046 -2.170543 ESP Fit Center 1805 is at -1.107755 2.449160 -2.170543 ESP Fit Center 1806 is at -1.316133 2.088239 -2.170543 ESP Fit Center 1807 is at 0.522374 2.088239 -2.347344 ESP Fit Center 1808 is at 0.221923 2.388691 -2.347344 ESP Fit Center 1809 is at -0.188502 2.498664 -2.347344 ESP Fit Center 1810 is at -0.598926 2.388691 -2.347344 ESP Fit Center 1811 is at -0.899377 2.088239 -2.347344 ESP Fit Center 1812 is at -1.009350 1.677815 -2.347344 ESP Fit Center 1813 is at -0.188502 0.856967 -2.347344 ESP Fit Center 1814 is at 0.221923 0.966940 -2.347344 ESP Fit Center 1815 is at 0.228254 1.677815 -2.455620 ESP Fit Center 1816 is at 0.019876 2.038736 -2.455620 ESP Fit Center 1817 is at -0.396879 2.038736 -2.455620 ESP Fit Center 1818 is at -0.605257 1.677815 -2.455620 ESP Fit Center 1819 is at -0.396879 1.316894 -2.455620 ESP Fit Center 1820 is at 0.019876 1.316894 -2.455620 ESP Fit Center 1821 is at -0.188502 1.677815 -2.492082 ESP Fit Center 1822 is at 1.179823 1.399836 2.263277 ESP Fit Center 1823 is at 1.596579 1.399836 2.226815 ESP Fit Center 1824 is at 1.388201 1.760757 2.226815 ESP Fit Center 1825 is at 0.971445 1.760757 2.226815 ESP Fit Center 1826 is at 0.763068 1.399836 2.226815 ESP Fit Center 1827 is at 0.971445 1.038915 2.226815 ESP Fit Center 1828 is at 1.388201 1.038915 2.226815 ESP Fit Center 1829 is at 1.890699 1.810260 2.118539 ESP Fit Center 1830 is at 1.590247 2.110712 2.118539 ESP Fit Center 1831 is at 1.179823 2.220684 2.118539 ESP Fit Center 1832 is at 0.769399 2.110712 2.118539 ESP Fit Center 1833 is at 0.468948 0.989412 2.118539 ESP Fit Center 1834 is at 0.769399 0.688961 2.118539 ESP Fit Center 1835 is at 0.971445 2.581605 1.941738 ESP Fit Center 1836 is at 2.379823 1.399836 -2.215184 ESP Fit Center 1837 is at 0.971445 2.581605 -2.215184 ESP Fit Center 1838 is at 0.260570 0.628491 -2.215184 ESP Fit Center 1839 is at 2.000672 1.399836 -2.391986 ESP Fit Center 1840 is at 1.890699 1.810260 -2.391986 ESP Fit Center 1841 is at 1.590247 2.110712 -2.391986 ESP Fit Center 1842 is at 1.179823 2.220684 -2.391986 ESP Fit Center 1843 is at 0.769399 2.110712 -2.391986 ESP Fit Center 1844 is at 0.468948 0.989412 -2.391986 ESP Fit Center 1845 is at 0.769399 0.688961 -2.391986 ESP Fit Center 1846 is at 1.890699 0.989412 -2.391986 ESP Fit Center 1847 is at 1.596579 1.399836 -2.500262 ESP Fit Center 1848 is at 1.388201 1.760757 -2.500262 ESP Fit Center 1849 is at 0.971445 1.760757 -2.500262 ESP Fit Center 1850 is at 0.763068 1.399836 -2.500262 ESP Fit Center 1851 is at 0.971445 1.038915 -2.500262 ESP Fit Center 1852 is at 1.388201 1.038915 -2.500262 ESP Fit Center 1853 is at 1.179823 1.399836 -2.536723 ESP Fit Center 1854 is at 1.998282 2.325284 2.055065 ESP Fit Center 1855 is at 2.409881 2.325284 2.016925 ESP Fit Center 1856 is at 2.204081 2.681740 2.016925 ESP Fit Center 1857 is at 1.792482 2.681740 2.016925 ESP Fit Center 1858 is at 2.699053 2.729875 1.903803 ESP Fit Center 1859 is at 2.402872 3.026056 1.903803 ESP Fit Center 1860 is at 1.998282 3.134466 1.903803 ESP Fit Center 1861 is at 1.593691 3.026056 1.903803 ESP Fit Center 1862 is at 1.297510 2.729875 1.903803 ESP Fit Center 1863 is at 3.097860 2.751263 1.719551 ESP Fit Center 1864 is at 2.869727 3.119712 1.719551 ESP Fit Center 1865 is at 2.523900 3.380868 1.719551 ESP Fit Center 1866 is at 2.107085 3.499462 1.719551 ESP Fit Center 1867 is at 1.675576 3.459477 1.719551 ESP Fit Center 1868 is at 1.287650 3.266313 1.719551 ESP Fit Center 1869 is at 0.995699 2.946057 1.719551 ESP Fit Center 1870 is at 3.446232 2.750441 1.470445 ESP Fit Center 1871 is at 3.267799 3.141154 1.470445 ESP Fit Center 1872 is at 2.986518 3.465770 1.470445 ESP Fit Center 1873 is at 2.625175 3.697990 1.470445 ESP Fit Center 1874 is at 2.213046 3.819002 1.470445 ESP Fit Center 1875 is at 1.783517 3.819002 1.470445 ESP Fit Center 1876 is at 1.371388 3.697990 1.470445 ESP Fit Center 1877 is at 1.010046 3.465770 1.470445 ESP Fit Center 1878 is at 3.785840 2.325284 1.164967 ESP Fit Center 1879 is at 3.737656 2.737524 1.164967 ESP Fit Center 1880 is at 3.595702 3.127539 1.164967 ESP Fit Center 1881 is at 3.367631 3.474305 1.164967 ESP Fit Center 1882 is at 3.065738 3.759127 1.164967 ESP Fit Center 1883 is at 2.706297 3.966649 1.164967 ESP Fit Center 1884 is at 2.308688 4.085686 1.164967 ESP Fit Center 1885 is at 1.894344 4.109819 1.164967 ESP Fit Center 1886 is at 1.485604 4.037747 1.164967 ESP Fit Center 1887 is at 1.104502 3.873356 1.164967 ESP Fit Center 1888 is at 0.771584 3.625507 1.164967 ESP Fit Center 1889 is at 4.003447 2.325284 0.813519 ESP Fit Center 1890 is at 3.959630 2.742182 0.813519 ESP Fit Center 1891 is at 3.830092 3.140859 0.813519 ESP Fit Center 1892 is at 3.620495 3.503891 0.813519 ESP Fit Center 1893 is at 3.339999 3.815413 0.813519 ESP Fit Center 1894 is at 3.000865 4.061809 0.813519 ESP Fit Center 1895 is at 2.617912 4.232310 0.813519 ESP Fit Center 1896 is at 2.207879 4.319466 0.813519 ESP Fit Center 1897 is at 1.788685 4.319466 0.813519 ESP Fit Center 1898 is at 1.378651 4.232310 0.813519 ESP Fit Center 1899 is at 0.995699 4.061809 0.813519 ESP Fit Center 1900 is at 0.656564 3.815413 0.813519 ESP Fit Center 1901 is at 4.152771 2.325284 0.428070 ESP Fit Center 1902 is at 4.111373 2.745604 0.428070 ESP Fit Center 1903 is at 3.988770 3.149772 0.428070 ESP Fit Center 1904 is at 3.789674 3.522255 0.428070 ESP Fit Center 1905 is at 3.521736 3.848738 0.428070 ESP Fit Center 1906 is at 3.195252 4.116677 0.428070 ESP Fit Center 1907 is at 2.822769 4.315773 0.428070 ESP Fit Center 1908 is at 2.418602 4.438376 0.428070 ESP Fit Center 1909 is at 1.998282 4.479774 0.428070 ESP Fit Center 1910 is at 1.577962 4.438376 0.428070 ESP Fit Center 1911 is at 1.173794 4.315773 0.428070 ESP Fit Center 1912 is at 0.801311 4.116677 0.428070 ESP Fit Center 1913 is at 4.228726 2.325284 0.021746 ESP Fit Center 1914 is at 4.188419 2.747399 0.021746 ESP Fit Center 1915 is at 4.068955 3.154257 0.021746 ESP Fit Center 1916 is at 3.874651 3.531154 0.021746 ESP Fit Center 1917 is at 3.612530 3.864467 0.021746 ESP Fit Center 1918 is at 3.292066 4.142151 0.021746 ESP Fit Center 1919 is at 2.924842 4.354168 0.021746 ESP Fit Center 1920 is at 2.524129 4.492856 0.021746 ESP Fit Center 1921 is at 2.104410 4.553203 0.021746 ESP Fit Center 1922 is at 1.680856 4.533026 0.021746 ESP Fit Center 1923 is at 1.268775 4.433056 0.021746 ESP Fit Center 1924 is at 0.883059 4.256906 0.021746 ESP Fit Center 1925 is at 0.537651 4.010942 0.021746 ESP Fit Center 1926 is at 4.188419 2.747399 -0.391616 ESP Fit Center 1927 is at 4.068955 3.154257 -0.391616 ESP Fit Center 1928 is at 3.874651 3.531154 -0.391616 ESP Fit Center 1929 is at 3.612530 3.864467 -0.391616 ESP Fit Center 1930 is at 3.292066 4.142151 -0.391616 ESP Fit Center 1931 is at 2.924842 4.354168 -0.391616 ESP Fit Center 1932 is at 2.524129 4.492856 -0.391616 ESP Fit Center 1933 is at 2.104410 4.553203 -0.391616 ESP Fit Center 1934 is at 1.680856 4.533026 -0.391616 ESP Fit Center 1935 is at 1.268775 4.433056 -0.391616 ESP Fit Center 1936 is at 0.883059 4.256906 -0.391616 ESP Fit Center 1937 is at 0.537651 4.010942 -0.391616 ESP Fit Center 1938 is at 4.111373 2.745604 -0.797940 ESP Fit Center 1939 is at 3.988770 3.149772 -0.797940 ESP Fit Center 1940 is at 3.789674 3.522255 -0.797940 ESP Fit Center 1941 is at 3.521736 3.848738 -0.797940 ESP Fit Center 1942 is at 3.195252 4.116677 -0.797940 ESP Fit Center 1943 is at 2.822769 4.315773 -0.797940 ESP Fit Center 1944 is at 2.418602 4.438376 -0.797940 ESP Fit Center 1945 is at 1.998282 4.479774 -0.797940 ESP Fit Center 1946 is at 1.577962 4.438376 -0.797940 ESP Fit Center 1947 is at 1.173794 4.315773 -0.797940 ESP Fit Center 1948 is at 0.801311 4.116677 -0.797940 ESP Fit Center 1949 is at 3.959630 2.742182 -1.183389 ESP Fit Center 1950 is at 3.830092 3.140859 -1.183389 ESP Fit Center 1951 is at 3.620495 3.503891 -1.183389 ESP Fit Center 1952 is at 3.339999 3.815413 -1.183389 ESP Fit Center 1953 is at 3.000865 4.061809 -1.183389 ESP Fit Center 1954 is at 2.617912 4.232310 -1.183389 ESP Fit Center 1955 is at 2.207879 4.319466 -1.183389 ESP Fit Center 1956 is at 1.788685 4.319466 -1.183389 ESP Fit Center 1957 is at 1.378651 4.232310 -1.183389 ESP Fit Center 1958 is at 0.995699 4.061809 -1.183389 ESP Fit Center 1959 is at 0.656564 3.815413 -1.183389 ESP Fit Center 1960 is at 3.785840 2.325284 -1.534837 ESP Fit Center 1961 is at 3.737656 2.737524 -1.534837 ESP Fit Center 1962 is at 3.595702 3.127539 -1.534837 ESP Fit Center 1963 is at 3.367631 3.474305 -1.534837 ESP Fit Center 1964 is at 3.065738 3.759127 -1.534837 ESP Fit Center 1965 is at 2.706297 3.966649 -1.534837 ESP Fit Center 1966 is at 2.308688 4.085686 -1.534837 ESP Fit Center 1967 is at 1.894344 4.109819 -1.534837 ESP Fit Center 1968 is at 1.485604 4.037747 -1.534837 ESP Fit Center 1969 is at 1.104502 3.873356 -1.534837 ESP Fit Center 1970 is at 0.771584 3.625507 -1.534837 ESP Fit Center 1971 is at 3.507360 2.325284 -1.840315 ESP Fit Center 1972 is at 3.446232 2.750441 -1.840315 ESP Fit Center 1973 is at 3.267799 3.141154 -1.840315 ESP Fit Center 1974 is at 2.986518 3.465770 -1.840315 ESP Fit Center 1975 is at 2.625175 3.697990 -1.840315 ESP Fit Center 1976 is at 2.213046 3.819002 -1.840315 ESP Fit Center 1977 is at 1.783517 3.819002 -1.840315 ESP Fit Center 1978 is at 1.371388 3.697990 -1.840315 ESP Fit Center 1979 is at 1.010046 3.465770 -1.840315 ESP Fit Center 1980 is at 0.728764 3.141154 -1.840315 ESP Fit Center 1981 is at 3.177490 2.325284 -2.089421 ESP Fit Center 1982 is at 3.097860 2.751263 -2.089421 ESP Fit Center 1983 is at 2.869727 3.119712 -2.089421 ESP Fit Center 1984 is at 2.523900 3.380868 -2.089421 ESP Fit Center 1985 is at 2.107085 3.499462 -2.089421 ESP Fit Center 1986 is at 1.675576 3.459477 -2.089421 ESP Fit Center 1987 is at 1.287650 3.266313 -2.089421 ESP Fit Center 1988 is at 0.995699 2.946057 -2.089421 ESP Fit Center 1989 is at 3.097860 1.899305 -2.089421 ESP Fit Center 1990 is at 2.807463 2.325284 -2.273673 ESP Fit Center 1991 is at 2.699053 2.729875 -2.273673 ESP Fit Center 1992 is at 2.402872 3.026056 -2.273673 ESP Fit Center 1993 is at 1.998282 3.134466 -2.273673 ESP Fit Center 1994 is at 1.593691 3.026056 -2.273673 ESP Fit Center 1995 is at 1.297510 2.729875 -2.273673 ESP Fit Center 1996 is at 2.402872 1.624513 -2.273673 ESP Fit Center 1997 is at 2.699053 1.920694 -2.273673 ESP Fit Center 1998 is at 2.409881 2.325284 -2.386795 ESP Fit Center 1999 is at 2.204081 2.681740 -2.386795 ESP Fit Center 2000 is at 1.792482 2.681740 -2.386795 ESP Fit Center 2001 is at 1.586683 2.325284 -2.386795 ESP Fit Center 2002 is at 1.792482 1.968829 -2.386795 ESP Fit Center 2003 is at 2.204081 1.968829 -2.386795 ESP Fit Center 2004 is at 1.998282 2.325284 -2.424935 ESP Fit Center 2005 is at 1.407593 0.439256 2.236913 ESP Fit Center 2006 is at 1.199215 0.078335 2.236913 ESP Fit Center 2007 is at 0.905095 0.488759 2.128637 ESP Fit Center 2008 is at 0.795122 0.078335 2.128637 ESP Fit Center 2009 is at 2.326846 0.488759 -2.381888 ESP Fit Center 2010 is at 2.026395 0.789211 -2.381888 ESP Fit Center 2011 is at 0.905095 0.488759 -2.381888 ESP Fit Center 2012 is at 0.795122 0.078335 -2.381888 ESP Fit Center 2013 is at 0.905095 -0.332089 -2.381888 ESP Fit Center 2014 is at 1.615971 -0.742513 -2.381888 ESP Fit Center 2015 is at 2.032726 0.078335 -2.490164 ESP Fit Center 2016 is at 1.824348 0.439256 -2.490164 ESP Fit Center 2017 is at 1.407593 0.439256 -2.490164 ESP Fit Center 2018 is at 1.199215 0.078335 -2.490164 ESP Fit Center 2019 is at 1.407593 -0.282586 -2.490164 ESP Fit Center 2020 is at 1.824348 -0.282586 -2.490164 ESP Fit Center 2021 is at 1.615971 0.078335 -2.526625 ESP Fit Center 2022 is at 0.681448 -0.946649 2.329050 ESP Fit Center 2023 is at 1.098204 -0.946649 2.292589 ESP Fit Center 2024 is at 0.889826 -0.585728 2.292589 ESP Fit Center 2025 is at 0.473071 -0.585728 2.292589 ESP Fit Center 2026 is at 0.264693 -0.946649 2.292589 ESP Fit Center 2027 is at 0.473071 -1.307570 2.292589 ESP Fit Center 2028 is at 0.889826 -1.307570 2.292589 ESP Fit Center 2029 is at 0.681448 -0.125801 2.184313 ESP Fit Center 2030 is at 0.271024 -0.235774 2.184313 ESP Fit Center 2031 is at 0.271024 -1.657525 2.184313 ESP Fit Center 2032 is at 0.681448 -1.767498 2.184313 ESP Fit Center 2033 is at 1.091873 -1.657525 2.184313 ESP Fit Center 2034 is at 0.473071 0.235120 2.007511 ESP Fit Center 2035 is at 0.473071 -2.128419 2.007511 ESP Fit Center 2036 is at 0.889826 -2.128419 2.007511 ESP Fit Center 2037 is at 0.576172 -2.485743 1.767557 ESP Fit Center 2038 is at 0.164833 -2.400266 -1.909456 ESP Fit Center 2039 is at 0.576172 -2.485743 -1.909456 ESP Fit Center 2040 is at 1.391186 -2.316381 -1.909456 ESP Fit Center 2041 is at -0.237805 -1.717995 -2.149411 ESP Fit Center 2042 is at 0.081448 -1.985880 -2.149411 ESP Fit Center 2043 is at 0.473071 -2.128419 -2.149411 ESP Fit Center 2044 is at 0.889826 -2.128419 -2.149411 ESP Fit Center 2045 is at 1.281448 -1.985880 -2.149411 ESP Fit Center 2046 is at 1.502297 -0.946649 -2.326212 ESP Fit Center 2047 is at 0.271024 -0.235774 -2.326212 ESP Fit Center 2048 is at -0.029427 -1.357074 -2.326212 ESP Fit Center 2049 is at 0.271024 -1.657525 -2.326212 ESP Fit Center 2050 is at 0.681448 -1.767498 -2.326212 ESP Fit Center 2051 is at 1.091873 -1.657525 -2.326212 ESP Fit Center 2052 is at 1.392324 -1.357074 -2.326212 ESP Fit Center 2053 is at 1.098204 -0.946649 -2.434488 ESP Fit Center 2054 is at 0.889826 -0.585728 -2.434488 ESP Fit Center 2055 is at 0.473071 -0.585728 -2.434488 ESP Fit Center 2056 is at 0.264693 -0.946649 -2.434488 ESP Fit Center 2057 is at 0.473071 -1.307570 -2.434488 ESP Fit Center 2058 is at 0.889826 -1.307570 -2.434488 ESP Fit Center 2059 is at 0.681448 -0.946649 -2.470950 ESP Fit Center 2060 is at -0.612973 -0.652802 2.370613 ESP Fit Center 2061 is at -0.196217 -0.652802 2.334151 ESP Fit Center 2062 is at -0.404595 -0.291881 2.334151 ESP Fit Center 2063 is at -0.821351 -0.291881 2.334151 ESP Fit Center 2064 is at -1.029729 -0.652802 2.334151 ESP Fit Center 2065 is at -0.821351 -1.013723 2.334151 ESP Fit Center 2066 is at -0.404595 -1.013723 2.334151 ESP Fit Center 2067 is at 0.097902 -0.242377 2.225875 ESP Fit Center 2068 is at -0.202549 0.058074 2.225875 ESP Fit Center 2069 is at -1.323849 -0.242377 2.225875 ESP Fit Center 2070 is at -1.433821 -0.652802 2.225875 ESP Fit Center 2071 is at -0.202549 -1.363677 2.225875 ESP Fit Center 2072 is at 0.306280 0.118544 2.049074 ESP Fit Center 2073 is at -1.740604 -0.242377 2.049074 ESP Fit Center 2074 is at -1.812973 -0.652802 -2.107848 ESP Fit Center 2075 is at -0.202549 0.058074 -2.284650 ESP Fit Center 2076 is at -1.323849 -0.242377 -2.284650 ESP Fit Center 2077 is at -1.433821 -0.652802 -2.284650 ESP Fit Center 2078 is at -1.323849 -1.063226 -2.284650 ESP Fit Center 2079 is at -0.612973 -1.473650 -2.284650 ESP Fit Center 2080 is at -0.202549 -1.363677 -2.284650 ESP Fit Center 2081 is at -0.196217 -0.652802 -2.392926 ESP Fit Center 2082 is at -0.404595 -0.291881 -2.392926 ESP Fit Center 2083 is at -0.821351 -0.291881 -2.392926 ESP Fit Center 2084 is at -1.029729 -0.652802 -2.392926 ESP Fit Center 2085 is at -0.821351 -1.013723 -2.392926 ESP Fit Center 2086 is at -0.404595 -1.013723 -2.392926 ESP Fit Center 2087 is at -0.612973 -0.652802 -2.429387 ESP Fit Center 2088 is at 4.548623 1.743836 0.569069 ESP Fit Center 2089 is at 4.189187 1.974831 0.569069 ESP Fit Center 2090 is at 5.245194 1.023350 0.205026 ESP Fit Center 2091 is at 5.097316 1.413274 0.205026 ESP Fit Center 2092 is at 4.860420 1.756477 0.205026 ESP Fit Center 2093 is at 4.548273 2.033015 0.205026 ESP Fit Center 2094 is at 5.437462 0.609368 -0.200791 ESP Fit Center 2095 is at 5.390531 1.025896 -0.200791 ESP Fit Center 2096 is at 5.252090 1.421538 -0.200791 ESP Fit Center 2097 is at 5.029081 1.776454 -0.200791 ESP Fit Center 2098 is at 4.732687 2.072848 -0.200791 ESP Fit Center 2099 is at 4.377771 2.295857 -0.200791 ESP Fit Center 2100 is at 5.485601 0.609368 -0.628031 ESP Fit Center 2101 is at 5.440712 1.022111 -0.628031 ESP Fit Center 2102 is at 5.308146 1.415555 -0.628031 ESP Fit Center 2103 is at 5.094099 1.771302 -0.628031 ESP Fit Center 2104 is at 4.808582 2.072719 -0.628031 ESP Fit Center 2105 is at 4.464945 2.305711 -0.628031 ESP Fit Center 2106 is at 5.440712 0.196625 -0.628031 ESP Fit Center 2107 is at 5.437462 0.609368 -1.055271 ESP Fit Center 2108 is at 5.390531 1.025896 -1.055271 ESP Fit Center 2109 is at 5.252090 1.421538 -1.055271 ESP Fit Center 2110 is at 5.029081 1.776454 -1.055271 ESP Fit Center 2111 is at 4.732687 2.072848 -1.055271 ESP Fit Center 2112 is at 4.377771 2.295857 -1.055271 ESP Fit Center 2113 is at 5.390531 0.192839 -1.055271 ESP Fit Center 2114 is at 5.295461 0.609368 -1.461088 ESP Fit Center 2115 is at 5.245194 1.023350 -1.461088 ESP Fit Center 2116 is at 5.097316 1.413274 -1.461088 ESP Fit Center 2117 is at 4.860420 1.756477 -1.461088 ESP Fit Center 2118 is at 4.548273 2.033015 -1.461088 ESP Fit Center 2119 is at 4.179018 2.226815 -1.461088 ESP Fit Center 2120 is at 5.245194 0.195385 -1.461088 ESP Fit Center 2121 is at 5.066717 0.609368 -1.825131 ESP Fit Center 2122 is at 5.005911 1.032281 -1.825131 ESP Fit Center 2123 is at 4.828420 1.420933 -1.825131 ESP Fit Center 2124 is at 4.548623 1.743836 -1.825131 ESP Fit Center 2125 is at 4.189187 1.974831 -1.825131 ESP Fit Center 2126 is at 3.779232 2.095205 -1.825131 ESP Fit Center 2127 is at 5.005911 0.186454 -1.825131 ESP Fit Center 2128 is at 4.762701 0.609368 -2.129147 ESP Fit Center 2129 is at 4.690507 1.018800 -2.129147 ESP Fit Center 2130 is at 4.482633 1.378849 -2.129147 ESP Fit Center 2131 is at 4.164151 1.646087 -2.129147 ESP Fit Center 2132 is at 3.773475 1.788282 -2.129147 ESP Fit Center 2133 is at 3.357726 1.788282 -2.129147 ESP Fit Center 2134 is at 2.967051 1.646087 -2.129147 ESP Fit Center 2135 is at 2.648569 1.378849 -2.129147 ESP Fit Center 2136 is at 4.690507 0.199935 -2.129147 ESP Fit Center 2137 is at 4.398658 0.609368 -2.357891 ESP Fit Center 2138 is at 4.287049 1.025896 -2.357891 ESP Fit Center 2139 is at 3.982129 1.330816 -2.357891 ESP Fit Center 2140 is at 3.565601 1.442425 -2.357891 ESP Fit Center 2141 is at 3.149072 1.330816 -2.357891 ESP Fit Center 2142 is at 2.844152 1.025896 -2.357891 ESP Fit Center 2143 is at 4.287049 0.192839 -2.357891 ESP Fit Center 2144 is at 3.992841 0.609368 -2.499893 ESP Fit Center 2145 is at 3.779221 0.979369 -2.499893 ESP Fit Center 2146 is at 3.351981 0.979369 -2.499893 ESP Fit Center 2147 is at 3.138361 0.609368 -2.499893 ESP Fit Center 2148 is at 3.779221 0.239367 -2.499893 ESP Fit Center 2149 is at 3.565601 0.609368 -2.548031 ESP Fit Center 2150 is at 5.426103 -0.654861 2.979077 ESP Fit Center 2151 is at 5.314495 -0.238332 2.979077 ESP Fit Center 2152 is at 5.009575 -1.376309 2.979077 ESP Fit Center 2153 is at 5.314495 -1.071389 2.979077 ESP Fit Center 2154 is at 5.790147 -0.654861 2.750333 ESP Fit Center 2155 is at 5.717953 -0.245428 2.750333 ESP Fit Center 2156 is at 5.510078 0.114620 2.750333 ESP Fit Center 2157 is at 4.800921 -1.833775 2.750333 ESP Fit Center 2158 is at 5.191596 -1.691580 2.750333 ESP Fit Center 2159 is at 5.510078 -1.424342 2.750333 ESP Fit Center 2160 is at 5.717953 -1.064293 2.750333 ESP Fit Center 2161 is at 6.094163 -0.654861 2.446317 ESP Fit Center 2162 is at 6.033357 -0.231947 2.446317 ESP Fit Center 2163 is at 5.855866 0.156704 2.446317 ESP Fit Center 2164 is at 5.576068 0.479607 2.446317 ESP Fit Center 2165 is at 4.806677 -2.140698 2.446317 ESP Fit Center 2166 is at 5.216633 -2.020324 2.446317 ESP Fit Center 2167 is at 5.576068 -1.789329 2.446317 ESP Fit Center 2168 is at 5.855866 -1.466426 2.446317 ESP Fit Center 2169 is at 6.033357 -1.077774 2.446317 ESP Fit Center 2170 is at 6.322906 -0.654861 2.082273 ESP Fit Center 2171 is at 6.272640 -0.240878 2.082273 ESP Fit Center 2172 is at 6.124761 0.149045 2.082273 ESP Fit Center 2173 is at 5.887865 0.492249 2.082273 ESP Fit Center 2174 is at 5.575719 0.768786 2.082273 ESP Fit Center 2175 is at 4.801558 -2.372108 2.082273 ESP Fit Center 2176 is at 5.206463 -2.272308 2.082273 ESP Fit Center 2177 is at 5.575719 -2.078508 2.082273 ESP Fit Center 2178 is at 5.887865 -1.801970 2.082273 ESP Fit Center 2179 is at 6.124761 -1.458767 2.082273 ESP Fit Center 2180 is at 6.272640 -1.068844 2.082273 ESP Fit Center 2181 is at 6.464908 -0.654861 1.676457 ESP Fit Center 2182 is at 6.417976 -0.238332 1.676457 ESP Fit Center 2183 is at 6.279535 0.157309 1.676457 ESP Fit Center 2184 is at 6.056527 0.512226 1.676457 ESP Fit Center 2185 is at 5.760133 0.808619 1.676457 ESP Fit Center 2186 is at 5.405217 1.031628 1.676457 ESP Fit Center 2187 is at 4.593046 -2.526722 1.676457 ESP Fit Center 2188 is at 5.009575 -2.479791 1.676457 ESP Fit Center 2189 is at 5.405217 -2.341350 1.676457 ESP Fit Center 2190 is at 5.760133 -2.118341 1.676457 ESP Fit Center 2191 is at 6.056527 -1.821947 1.676457 ESP Fit Center 2192 is at 6.279535 -1.467031 1.676457 ESP Fit Center 2193 is at 6.417976 -1.071389 1.676457 ESP Fit Center 2194 is at 6.513046 -0.654861 1.249217 ESP Fit Center 2195 is at 6.468158 -0.242118 1.249217 ESP Fit Center 2196 is at 6.335591 0.151326 1.249217 ESP Fit Center 2197 is at 6.121545 0.507074 1.249217 ESP Fit Center 2198 is at 5.836028 0.808490 1.249217 ESP Fit Center 2199 is at 5.492390 1.041482 1.249217 ESP Fit Center 2200 is at 4.696993 -2.572045 1.249217 ESP Fit Center 2201 is at 5.106701 -2.504877 1.249217 ESP Fit Center 2202 is at 5.492390 -2.351204 1.249217 ESP Fit Center 2203 is at 5.836028 -2.118212 1.249217 ESP Fit Center 2204 is at 6.121545 -1.816795 1.249217 ESP Fit Center 2205 is at 6.335591 -1.461048 1.249217 ESP Fit Center 2206 is at 6.468158 -1.067604 1.249217 ESP Fit Center 2207 is at 6.464908 -0.654861 0.821976 ESP Fit Center 2208 is at 6.417976 -0.238332 0.821976 ESP Fit Center 2209 is at 6.279535 0.157309 0.821976 ESP Fit Center 2210 is at 6.056527 0.512226 0.821976 ESP Fit Center 2211 is at 5.760133 0.808619 0.821976 ESP Fit Center 2212 is at 5.405217 1.031628 0.821976 ESP Fit Center 2213 is at 4.593046 -2.526722 0.821976 ESP Fit Center 2214 is at 5.009575 -2.479791 0.821976 ESP Fit Center 2215 is at 5.405217 -2.341350 0.821976 ESP Fit Center 2216 is at 5.760133 -2.118341 0.821976 ESP Fit Center 2217 is at 6.056527 -1.821947 0.821976 ESP Fit Center 2218 is at 6.279535 -1.467031 0.821976 ESP Fit Center 2219 is at 6.417976 -1.071389 0.821976 ESP Fit Center 2220 is at 6.322906 -0.654861 0.416160 ESP Fit Center 2221 is at 6.272640 -0.240878 0.416160 ESP Fit Center 2222 is at 6.124761 0.149045 0.416160 ESP Fit Center 2223 is at 5.887865 0.492249 0.416160 ESP Fit Center 2224 is at 5.575719 0.768786 0.416160 ESP Fit Center 2225 is at 5.575719 -2.078508 0.416160 ESP Fit Center 2226 is at 5.887865 -1.801970 0.416160 ESP Fit Center 2227 is at 6.124761 -1.458767 0.416160 ESP Fit Center 2228 is at 6.272640 -1.068844 0.416160 ESP Fit Center 2229 is at 6.094163 -0.654861 0.052116 ESP Fit Center 2230 is at 6.033357 -0.231947 0.052116 ESP Fit Center 2231 is at 5.855866 0.156704 0.052116 ESP Fit Center 2232 is at 5.576068 0.479607 0.052116 ESP Fit Center 2233 is at 6.033357 -1.077774 0.052116 ESP Fit Center 2234 is at 5.790147 -0.654861 -0.251900 ESP Fit Center 2235 is at 5.717953 -0.245428 -0.251900 ESP Fit Center 2236 is at 5.510078 0.114620 -0.251900 ESP Fit Center 2237 is at 3.356292 0.505290 3.762181 ESP Fit Center 2238 is at 3.783532 0.505290 3.714042 ESP Fit Center 2239 is at 3.569912 0.875291 3.714042 ESP Fit Center 2240 is at 3.142672 0.875291 3.714042 ESP Fit Center 2241 is at 2.929052 0.505290 3.714042 ESP Fit Center 2242 is at 3.142672 0.135289 3.714042 ESP Fit Center 2243 is at 3.569912 0.135289 3.714042 ESP Fit Center 2244 is at 4.189349 0.505290 3.572041 ESP Fit Center 2245 is at 4.077740 0.921819 3.572041 ESP Fit Center 2246 is at 3.772820 1.226738 3.572041 ESP Fit Center 2247 is at 3.356292 1.338347 3.572041 ESP Fit Center 2248 is at 2.939764 1.226738 3.572041 ESP Fit Center 2249 is at 2.634844 0.921819 3.572041 ESP Fit Center 2250 is at 2.523235 0.505290 3.572041 ESP Fit Center 2251 is at 2.634844 0.088762 3.572041 ESP Fit Center 2252 is at 4.077740 0.088762 3.572041 ESP Fit Center 2253 is at 4.553392 0.505290 3.343297 ESP Fit Center 2254 is at 4.481198 0.914723 3.343297 ESP Fit Center 2255 is at 4.273324 1.274771 3.343297 ESP Fit Center 2256 is at 3.954842 1.542010 3.343297 ESP Fit Center 2257 is at 3.564166 1.684204 3.343297 ESP Fit Center 2258 is at 3.148418 1.684204 3.343297 ESP Fit Center 2259 is at 2.757742 1.542010 3.343297 ESP Fit Center 2260 is at 2.439260 1.274771 3.343297 ESP Fit Center 2261 is at 2.231386 0.914723 3.343297 ESP Fit Center 2262 is at 2.159192 0.505290 3.343297 ESP Fit Center 2263 is at 2.231386 0.095858 3.343297 ESP Fit Center 2264 is at 4.857409 0.505290 3.039281 ESP Fit Center 2265 is at 4.796603 0.928204 3.039281 ESP Fit Center 2266 is at 4.619112 1.316855 3.039281 ESP Fit Center 2267 is at 4.339314 1.639758 3.039281 ESP Fit Center 2268 is at 3.979878 1.870754 3.039281 ESP Fit Center 2269 is at 3.569923 1.991127 3.039281 ESP Fit Center 2270 is at 3.142661 1.991127 3.039281 ESP Fit Center 2271 is at 2.732706 1.870754 3.039281 ESP Fit Center 2272 is at 2.373270 1.639758 3.039281 ESP Fit Center 2273 is at 2.093473 1.316855 3.039281 ESP Fit Center 2274 is at 1.915981 0.928204 3.039281 ESP Fit Center 2275 is at 1.855176 0.505290 3.039281 ESP Fit Center 2276 is at 1.915981 0.082377 3.039281 ESP Fit Center 2277 is at 5.035886 0.919273 2.675238 ESP Fit Center 2278 is at 4.888007 1.309196 2.675238 ESP Fit Center 2279 is at 4.651111 1.652400 2.675238 ESP Fit Center 2280 is at 4.338965 1.928937 2.675238 ESP Fit Center 2281 is at 3.969709 2.122738 2.675238 ESP Fit Center 2282 is at 3.564804 2.222538 2.675238 ESP Fit Center 2283 is at 3.147780 2.222538 2.675238 ESP Fit Center 2284 is at 2.742875 2.122738 2.675238 ESP Fit Center 2285 is at 2.373619 1.928937 2.675238 ESP Fit Center 2286 is at 2.061473 1.652400 2.675238 ESP Fit Center 2287 is at 1.824577 1.309196 2.675238 ESP Fit Center 2288 is at 1.676698 0.919273 2.675238 ESP Fit Center 2289 is at 1.626432 0.505290 2.675238 ESP Fit Center 2290 is at 5.042781 1.317460 2.269421 ESP Fit Center 2291 is at 4.819772 1.672377 2.269421 ESP Fit Center 2292 is at 4.523379 1.968770 2.269421 ESP Fit Center 2293 is at 4.168462 2.191779 2.269421 ESP Fit Center 2294 is at 3.772820 2.330220 2.269421 ESP Fit Center 2295 is at 3.356292 2.377152 2.269421 ESP Fit Center 2296 is at 2.939764 2.330220 2.269421 ESP Fit Center 2297 is at 2.544122 2.191779 2.269421 ESP Fit Center 2298 is at 2.189205 1.968770 2.269421 ESP Fit Center 2299 is at 1.892812 1.672377 2.269421 ESP Fit Center 2300 is at 1.669803 1.317460 2.269421 ESP Fit Center 2301 is at 1.531362 0.921819 2.269421 ESP Fit Center 2302 is at 1.484430 0.505290 2.269421 ESP Fit Center 2303 is at 5.098837 1.311477 1.842181 ESP Fit Center 2304 is at 4.884791 1.667225 1.842181 ESP Fit Center 2305 is at 4.599274 1.968641 1.842181 ESP Fit Center 2306 is at 4.255636 2.201633 1.842181 ESP Fit Center 2307 is at 3.869946 2.355306 1.842181 ESP Fit Center 2308 is at 3.460239 2.422474 1.842181 ESP Fit Center 2309 is at 3.045671 2.399997 1.842181 ESP Fit Center 2310 is at 4.819772 1.672377 1.414941 ESP Fit Center 2311 is at 4.523379 1.968770 1.414941 ESP Fit Center 2312 is at 4.168462 2.191779 1.414941 ESP Fit Center 2313 is at 3.772820 2.330220 1.414941 ESP Fit Center 2314 is at 4.338965 1.928937 1.009124 ESP Fit Center 2315 is at 3.969709 2.122738 1.009124 ESP Fit Center 2316 is at -3.332407 0.003437 2.457171 ESP Fit Center 2317 is at -2.915652 0.003437 2.420710 ESP Fit Center 2318 is at -3.124029 0.364358 2.420710 ESP Fit Center 2319 is at -3.540785 0.364358 2.420710 ESP Fit Center 2320 is at -3.749163 0.003437 2.420710 ESP Fit Center 2321 is at -3.540785 -0.357484 2.420710 ESP Fit Center 2322 is at -3.124029 -0.357484 2.420710 ESP Fit Center 2323 is at -2.511559 0.003437 2.312434 ESP Fit Center 2324 is at -2.621532 0.413861 2.312434 ESP Fit Center 2325 is at -3.332407 0.824286 2.312434 ESP Fit Center 2326 is at -3.742831 0.714313 2.312434 ESP Fit Center 2327 is at -4.043283 0.413861 2.312434 ESP Fit Center 2328 is at -4.153256 0.003437 2.312434 ESP Fit Center 2329 is at -4.043283 -0.406987 2.312434 ESP Fit Center 2330 is at -3.742831 -0.707438 2.312434 ESP Fit Center 2331 is at -3.332407 -0.817411 2.312434 ESP Fit Center 2332 is at -2.921983 -0.707438 2.312434 ESP Fit Center 2333 is at -2.621532 -0.406987 2.312434 ESP Fit Center 2334 is at -3.540785 1.185206 2.135632 ESP Fit Center 2335 is at -3.932407 1.042668 2.135632 ESP Fit Center 2336 is at -4.251661 -0.767908 2.135632 ESP Fit Center 2337 is at -3.932407 -1.035793 2.135632 ESP Fit Center 2338 is at -2.204776 -0.406987 2.135632 ESP Fit Center 2339 is at -3.849023 1.457054 1.895678 ESP Fit Center 2340 is at -4.594067 -1.333844 -1.485519 ESP Fit Center 2341 is at -4.529090 -0.970136 -1.781335 ESP Fit Center 2342 is at -4.222046 -1.256894 -1.781335 ESP Fit Center 2343 is at -3.932407 1.042668 -2.021290 ESP Fit Center 2344 is at -4.251661 -0.767908 -2.021290 ESP Fit Center 2345 is at -3.932407 -1.035793 -2.021290 ESP Fit Center 2346 is at -2.204776 -0.406987 -2.021290 ESP Fit Center 2347 is at -2.511559 0.003437 -2.198091 ESP Fit Center 2348 is at -3.332407 0.824286 -2.198091 ESP Fit Center 2349 is at -3.742831 0.714313 -2.198091 ESP Fit Center 2350 is at -4.043283 0.413861 -2.198091 ESP Fit Center 2351 is at -4.153256 0.003437 -2.198091 ESP Fit Center 2352 is at -4.043283 -0.406987 -2.198091 ESP Fit Center 2353 is at -3.742831 -0.707438 -2.198091 ESP Fit Center 2354 is at -3.332407 -0.817411 -2.198091 ESP Fit Center 2355 is at -2.921983 -0.707438 -2.198091 ESP Fit Center 2356 is at -2.621532 -0.406987 -2.198091 ESP Fit Center 2357 is at -2.915652 0.003437 -2.306367 ESP Fit Center 2358 is at -3.124029 0.364358 -2.306367 ESP Fit Center 2359 is at -3.540785 0.364358 -2.306367 ESP Fit Center 2360 is at -3.749163 0.003437 -2.306367 ESP Fit Center 2361 is at -3.540785 -0.357484 -2.306367 ESP Fit Center 2362 is at -3.124029 -0.357484 -2.306367 ESP Fit Center 2363 is at -3.332407 0.003437 -2.342829 ESP Fit Center 2364 is at -2.268893 2.697072 1.723259 ESP Fit Center 2365 is at -2.685422 2.808680 1.723259 ESP Fit Center 2366 is at -3.101950 2.697072 1.723259 ESP Fit Center 2367 is at -3.406870 2.392152 1.723259 ESP Fit Center 2368 is at -2.086871 3.012343 1.494515 ESP Fit Center 2369 is at -2.477547 3.154537 1.494515 ESP Fit Center 2370 is at -2.893296 3.154537 1.494515 ESP Fit Center 2371 is at -3.283972 3.012343 1.494515 ESP Fit Center 2372 is at -3.602454 2.745105 1.494515 ESP Fit Center 2373 is at -3.810328 2.385056 1.494515 ESP Fit Center 2374 is at -1.702399 3.110092 1.190499 ESP Fit Center 2375 is at -2.061835 3.341087 1.190499 ESP Fit Center 2376 is at -2.471790 3.461461 1.190499 ESP Fit Center 2377 is at -2.899053 3.461461 1.190499 ESP Fit Center 2378 is at -3.309008 3.341087 1.190499 ESP Fit Center 2379 is at -3.668444 3.110092 1.190499 ESP Fit Center 2380 is at -3.948241 2.787189 1.190499 ESP Fit Center 2381 is at -4.125732 2.398537 1.190499 ESP Fit Center 2382 is at -1.702749 3.399271 0.826456 ESP Fit Center 2383 is at -2.072005 3.593071 0.826456 ESP Fit Center 2384 is at -2.476910 3.692871 0.826456 ESP Fit Center 2385 is at -2.893933 3.692871 0.826456 ESP Fit Center 2386 is at -3.298838 3.593071 0.826456 ESP Fit Center 2387 is at -3.668094 3.399271 0.826456 ESP Fit Center 2388 is at -3.980241 3.122733 0.826456 ESP Fit Center 2389 is at -4.217137 2.779530 0.826456 ESP Fit Center 2390 is at -1.873251 3.662113 0.420639 ESP Fit Center 2391 is at -2.268893 3.800554 0.420639 ESP Fit Center 2392 is at -2.685422 3.847485 0.420639 ESP Fit Center 2393 is at -3.101950 3.800554 0.420639 ESP Fit Center 2394 is at -3.497592 3.662113 0.420639 ESP Fit Center 2395 is at -3.852508 3.439104 0.420639 ESP Fit Center 2396 is at -4.148902 3.142710 0.420639 ESP Fit Center 2397 is at -4.371911 2.787794 0.420639 ESP Fit Center 2398 is at -1.786077 3.671967 -0.006601 ESP Fit Center 2399 is at -2.171767 3.825640 -0.006601 ESP Fit Center 2400 is at -2.581475 3.892808 -0.006601 ESP Fit Center 2401 is at -2.996043 3.870331 -0.006601 ESP Fit Center 2402 is at -3.396087 3.759259 -0.006601 ESP Fit Center 2403 is at -3.762901 3.564787 -0.006601 ESP Fit Center 2404 is at -4.079333 3.296007 -0.006601 ESP Fit Center 2405 is at -4.330587 2.965487 -0.006601 ESP Fit Center 2406 is at -4.504916 2.588683 -0.006601 ESP Fit Center 2407 is at -1.873251 3.662113 -0.433841 ESP Fit Center 2408 is at -2.268893 3.800554 -0.433841 ESP Fit Center 2409 is at -2.685422 3.847485 -0.433841 ESP Fit Center 2410 is at -3.101950 3.800554 -0.433841 ESP Fit Center 2411 is at -3.497592 3.662113 -0.433841 ESP Fit Center 2412 is at -3.852508 3.439104 -0.433841 ESP Fit Center 2413 is at -4.148902 3.142710 -0.433841 ESP Fit Center 2414 is at -4.371911 2.787794 -0.433841 ESP Fit Center 2415 is at -1.702749 3.399271 -0.839658 ESP Fit Center 2416 is at -2.072005 3.593071 -0.839658 ESP Fit Center 2417 is at -2.476910 3.692871 -0.839658 ESP Fit Center 2418 is at -2.893933 3.692871 -0.839658 ESP Fit Center 2419 is at -3.298838 3.593071 -0.839658 ESP Fit Center 2420 is at -3.668094 3.399271 -0.839658 ESP Fit Center 2421 is at -3.980241 3.122733 -0.839658 ESP Fit Center 2422 is at -4.217137 2.779530 -0.839658 ESP Fit Center 2423 is at -4.365015 2.389606 -0.839658 ESP Fit Center 2424 is at -2.061835 3.341087 -1.203702 ESP Fit Center 2425 is at -2.471790 3.461461 -1.203702 ESP Fit Center 2426 is at -2.899053 3.461461 -1.203702 ESP Fit Center 2427 is at -3.309008 3.341087 -1.203702 ESP Fit Center 2428 is at -3.668444 3.110092 -1.203702 ESP Fit Center 2429 is at -3.948241 2.787189 -1.203702 ESP Fit Center 2430 is at -4.125732 2.398537 -1.203702 ESP Fit Center 2431 is at -2.086871 3.012343 -1.507718 ESP Fit Center 2432 is at -2.477547 3.154537 -1.507718 ESP Fit Center 2433 is at -2.893296 3.154537 -1.507718 ESP Fit Center 2434 is at -3.283972 3.012343 -1.507718 ESP Fit Center 2435 is at -3.602454 2.745105 -1.507718 ESP Fit Center 2436 is at -3.810328 2.385056 -1.507718 ESP Fit Center 2437 is at -2.268893 2.697072 -1.736461 ESP Fit Center 2438 is at -2.685422 2.808680 -1.736461 ESP Fit Center 2439 is at -3.101950 2.697072 -1.736461 ESP Fit Center 2440 is at -3.406870 2.392152 -1.736461 ESP Fit Center 2441 is at 0.581926 -2.680705 1.668637 ESP Fit Center 2442 is at 0.998455 -2.792313 1.668637 ESP Fit Center 2443 is at 1.414983 -2.680705 1.668637 ESP Fit Center 2444 is at 0.399905 -2.995976 1.439893 ESP Fit Center 2445 is at 0.790580 -3.138170 1.439893 ESP Fit Center 2446 is at 1.206329 -3.138170 1.439893 ESP Fit Center 2447 is at 1.597005 -2.995976 1.439893 ESP Fit Center 2448 is at 0.374868 -3.324720 1.135877 ESP Fit Center 2449 is at 0.784824 -3.445094 1.135877 ESP Fit Center 2450 is at 1.212086 -3.445094 1.135877 ESP Fit Center 2451 is at 1.622041 -3.324720 1.135877 ESP Fit Center 2452 is at 1.981477 -3.093725 1.135877 ESP Fit Center 2453 is at 0.385038 -3.576704 0.771833 ESP Fit Center 2454 is at 0.789943 -3.676504 0.771833 ESP Fit Center 2455 is at 1.206966 -3.676504 0.771833 ESP Fit Center 2456 is at 1.611872 -3.576704 0.771833 ESP Fit Center 2457 is at 1.981127 -3.382904 0.771833 ESP Fit Center 2458 is at 2.293274 -3.106366 0.771833 ESP Fit Center 2459 is at 0.186284 -3.645746 0.366017 ESP Fit Center 2460 is at 0.581926 -3.784187 0.366017 ESP Fit Center 2461 is at 0.998455 -3.831118 0.366017 ESP Fit Center 2462 is at 1.414983 -3.784187 0.366017 ESP Fit Center 2463 is at 1.810625 -3.645746 0.366017 ESP Fit Center 2464 is at 2.165541 -3.422737 0.366017 ESP Fit Center 2465 is at 0.287789 -3.742892 -0.061224 ESP Fit Center 2466 is at 0.687833 -3.853964 -0.061224 ESP Fit Center 2467 is at 1.102401 -3.876441 -0.061224 ESP Fit Center 2468 is at 1.512109 -3.809273 -0.061224 ESP Fit Center 2469 is at 1.897799 -3.655600 -0.061224 ESP Fit Center 2470 is at 2.241436 -3.422608 -0.061224 ESP Fit Center 2471 is at 0.186284 -3.645746 -0.488464 ESP Fit Center 2472 is at 0.581926 -3.784187 -0.488464 ESP Fit Center 2473 is at 0.998455 -3.831118 -0.488464 ESP Fit Center 2474 is at 1.414983 -3.784187 -0.488464 ESP Fit Center 2475 is at 1.810625 -3.645746 -0.488464 ESP Fit Center 2476 is at 2.165541 -3.422737 -0.488464 ESP Fit Center 2477 is at 0.385038 -3.576704 -0.894280 ESP Fit Center 2478 is at 0.789943 -3.676504 -0.894280 ESP Fit Center 2479 is at 1.206966 -3.676504 -0.894280 ESP Fit Center 2480 is at 1.611872 -3.576704 -0.894280 ESP Fit Center 2481 is at 1.981127 -3.382904 -0.894280 ESP Fit Center 2482 is at 0.374868 -3.324720 -1.258324 ESP Fit Center 2483 is at 0.784824 -3.445094 -1.258324 ESP Fit Center 2484 is at 1.212086 -3.445094 -1.258324 ESP Fit Center 2485 is at 1.622041 -3.324720 -1.258324 ESP Fit Center 2486 is at 0.399905 -2.995976 -1.562340 ESP Fit Center 2487 is at 0.790580 -3.138170 -1.562340 ESP Fit Center 2488 is at 1.206329 -3.138170 -1.562340 ESP Fit Center 2489 is at 1.597005 -2.995976 -1.562340 ESP Fit Center 2490 is at 0.581926 -2.680705 -1.791084 ESP Fit Center 2491 is at 0.998455 -2.792313 -1.791084 ESP Fit Center 2492 is at 1.414983 -2.680705 -1.791084 ESP Fit Center 2493 is at -1.209959 -1.047629 2.286229 ESP Fit Center 2494 is at -1.620384 -0.937656 2.286229 ESP Fit Center 2495 is at -2.030808 -1.047629 2.286229 ESP Fit Center 2496 is at -2.331259 -1.348080 2.286229 ESP Fit Center 2497 is at -1.828761 -0.576735 2.109428 ESP Fit Center 2498 is at -2.220384 -0.719274 2.109428 ESP Fit Center 2499 is at -3.097266 -3.462918 0.851815 ESP Fit Center 2500 is at -2.922450 -3.731050 0.447722 ESP Fit Center 2501 is at -2.549313 -3.931844 0.447722 ESP Fit Center 2502 is at -3.163074 -3.597011 0.030967 ESP Fit Center 2503 is at -2.820384 -3.836965 0.030967 ESP Fit Center 2504 is at -2.441232 -4.013766 0.030967 ESP Fit Center 2505 is at -2.037139 -4.122043 0.030967 ESP Fit Center 2506 is at -1.620384 -4.158504 0.030967 ESP Fit Center 2507 is at -1.203628 -4.122043 0.030967 ESP Fit Center 2508 is at -0.799535 -4.013766 0.030967 ESP Fit Center 2509 is at -0.420384 -3.836965 0.030967 ESP Fit Center 2510 is at -0.077693 -3.597011 0.030967 ESP Fit Center 2511 is at -2.922450 -3.731050 -0.385789 ESP Fit Center 2512 is at -3.097266 -3.462918 -0.789882 ESP Fit Center 2513 is at -2.220384 -0.719274 -2.047494 ESP Fit Center 2514 is at -1.620384 -0.937656 -2.224296 ESP Fit Center 2515 is at -2.030808 -1.047629 -2.224296 ESP Fit Center 2516 is at -2.331259 -1.348080 -2.224296 ESP Fit Center 2517 is at 2.970663 -1.246083 3.661032 ESP Fit Center 2518 is at 3.397903 -1.246083 3.612893 ESP Fit Center 2519 is at 3.184283 -0.876082 3.612893 ESP Fit Center 2520 is at 2.757042 -0.876082 3.612893 ESP Fit Center 2521 is at 2.543422 -1.246083 3.612893 ESP Fit Center 2522 is at 2.757042 -1.616084 3.612893 ESP Fit Center 2523 is at 3.184283 -1.616084 3.612893 ESP Fit Center 2524 is at 2.554134 -0.524634 3.470892 ESP Fit Center 2525 is at 2.249214 -0.829554 3.470892 ESP Fit Center 2526 is at 2.137606 -1.246083 3.470892 ESP Fit Center 2527 is at 2.249214 -1.662611 3.470892 ESP Fit Center 2528 is at 2.554134 -1.967531 3.470892 ESP Fit Center 2529 is at 2.970663 -2.079139 3.470892 ESP Fit Center 2530 is at 3.387191 -1.967531 3.470892 ESP Fit Center 2531 is at 3.692111 -1.662611 3.470892 ESP Fit Center 2532 is at 2.053630 -0.476601 3.242148 ESP Fit Center 2533 is at 1.845756 -0.836650 3.242148 ESP Fit Center 2534 is at 1.773562 -1.246083 3.242148 ESP Fit Center 2535 is at 1.845756 -1.655515 3.242148 ESP Fit Center 2536 is at 2.053630 -2.015564 3.242148 ESP Fit Center 2537 is at 2.372112 -2.282802 3.242148 ESP Fit Center 2538 is at 2.762788 -2.424996 3.242148 ESP Fit Center 2539 is at 3.178537 -2.424996 3.242148 ESP Fit Center 2540 is at 3.569213 -2.282802 3.242148 ESP Fit Center 2541 is at 3.887695 -2.015564 3.242148 ESP Fit Center 2542 is at 1.707843 -0.434518 2.938132 ESP Fit Center 2543 is at 1.530352 -0.823169 2.938132 ESP Fit Center 2544 is at 1.469546 -1.246083 2.938132 ESP Fit Center 2545 is at 1.530352 -1.668996 2.938132 ESP Fit Center 2546 is at 1.707843 -2.057647 2.938132 ESP Fit Center 2547 is at 1.987640 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Center 2566 is at 4.265482 -2.393192 2.574088 ESP Fit Center 2567 is at 1.284174 -2.058253 2.168272 ESP Fit Center 2568 is at 1.507182 -2.413169 2.168272 ESP Fit Center 2569 is at 1.803576 -2.709563 2.168272 ESP Fit Center 2570 is at 2.158492 -2.932572 2.168272 ESP Fit Center 2571 is at 2.554134 -3.071013 2.168272 ESP Fit Center 2572 is at 2.970663 -3.117944 2.168272 ESP Fit Center 2573 is at 3.387191 -3.071013 2.168272 ESP Fit Center 2574 is at 3.782833 -2.932572 2.168272 ESP Fit Center 2575 is at 4.137749 -2.709563 2.168272 ESP Fit Center 2576 is at 1.576751 -2.566466 1.741032 ESP Fit Center 2577 is at 1.893183 -2.835246 1.741032 ESP Fit Center 2578 is at 2.259997 -3.029718 1.741032 ESP Fit Center 2579 is at 2.660041 -3.140790 1.741032 ESP Fit Center 2580 is at 3.074609 -3.163267 1.741032 ESP Fit Center 2581 is at 3.484317 -3.096099 1.741032 ESP Fit Center 2582 is at 3.870007 -2.942426 1.741032 ESP Fit Center 2583 is at 4.213644 -2.709434 1.741032 ESP Fit Center 2584 is at 2.158492 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Fit Center 2603 is at 4.810149 -3.264802 -0.060877 ESP Fit Center 2604 is at 5.179404 -3.071002 -0.060877 ESP Fit Center 2605 is at 5.491551 -2.794464 -0.060877 ESP Fit Center 2606 is at 5.728447 -2.451261 -0.060877 ESP Fit Center 2607 is at 5.876325 -2.061338 -0.060877 ESP Fit Center 2608 is at 6.068593 -1.647355 -0.466694 ESP Fit Center 2609 is at 6.021662 -1.230826 -0.466694 ESP Fit Center 2610 is at 5.883221 -0.835185 -0.466694 ESP Fit Center 2611 is at 5.660212 -0.480268 -0.466694 ESP Fit Center 2612 is at 4.196732 -3.519216 -0.466694 ESP Fit Center 2613 is at 4.613260 -3.472285 -0.466694 ESP Fit Center 2614 is at 5.008902 -3.333844 -0.466694 ESP Fit Center 2615 is at 5.363818 -3.110835 -0.466694 ESP Fit Center 2616 is at 5.660212 -2.814441 -0.466694 ESP Fit Center 2617 is at 5.883221 -2.459525 -0.466694 ESP Fit Center 2618 is at 6.021662 -2.063883 -0.466694 ESP Fit Center 2619 is at 6.116732 -1.647355 -0.893934 ESP Fit Center 2620 is at 6.071843 -1.234612 -0.893934 ESP Fit Center 2621 is at 5.939276 -0.841168 -0.893934 ESP Fit Center 2622 is at 5.725230 -0.485420 -0.893934 ESP Fit Center 2623 is at 5.439713 -0.184004 -0.893934 ESP Fit Center 2624 is at 4.300678 -3.564539 -0.893934 ESP Fit Center 2625 is at 4.710386 -3.497371 -0.893934 ESP Fit Center 2626 is at 5.096076 -3.343698 -0.893934 ESP Fit Center 2627 is at 5.439713 -3.110706 -0.893934 ESP Fit Center 2628 is at 5.725230 -2.809289 -0.893934 ESP Fit Center 2629 is at 5.939276 -2.453542 -0.893934 ESP Fit Center 2630 is at 6.071843 -2.060098 -0.893934 ESP Fit Center 2631 is at 6.068593 -1.647355 -1.321174 ESP Fit Center 2632 is at 6.021662 -1.230826 -1.321174 ESP Fit Center 2633 is at 5.883221 -0.835185 -1.321174 ESP Fit Center 2634 is at 5.660212 -0.480268 -1.321174 ESP Fit Center 2635 is at 5.363818 -0.183875 -1.321174 ESP Fit Center 2636 is at 4.196732 -3.519216 -1.321174 ESP Fit Center 2637 is at 4.613260 -3.472285 -1.321174 ESP Fit Center 2638 is at 5.008902 -3.333844 -1.321174 ESP Fit Center 2639 is at 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Center 2694 is at -4.007412 1.349188 2.000177 ESP Fit Center 2695 is at -4.424226 1.467782 2.000177 ESP Fit Center 2696 is at -4.855736 1.427797 2.000177 ESP Fit Center 2697 is at -5.243662 1.234633 2.000177 ESP Fit Center 2698 is at -5.535613 0.914378 2.000177 ESP Fit Center 2699 is at -5.692160 0.510284 2.000177 ESP Fit Center 2700 is at -5.692160 0.076926 2.000177 ESP Fit Center 2701 is at -5.535613 -0.327168 2.000177 ESP Fit Center 2702 is at -5.243662 -0.647424 2.000177 ESP Fit Center 2703 is at -4.855736 -0.840588 2.000177 ESP Fit Center 2704 is at -3.906136 1.666310 1.751071 ESP Fit Center 2705 is at -4.318266 1.787323 1.751071 ESP Fit Center 2706 is at -4.747794 1.787323 1.751071 ESP Fit Center 2707 is at -5.159924 1.666310 1.751071 ESP Fit Center 2708 is at -5.521266 1.434090 1.751071 ESP Fit Center 2709 is at -5.802547 1.109474 1.751071 ESP Fit Center 2710 is at -5.980980 0.718761 1.751071 ESP Fit Center 2711 is at -6.042108 0.293605 1.751071 ESP Fit Center 2712 is at 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Center 2749 is at -5.730000 2.084997 0.708696 ESP Fit Center 2750 is at -6.056484 1.817059 0.708696 ESP Fit Center 2751 is at -6.324423 1.490575 0.708696 ESP Fit Center 2752 is at -6.523519 1.118092 0.708696 ESP Fit Center 2753 is at -6.646122 0.713925 0.708696 ESP Fit Center 2754 is at -6.687520 0.293605 0.708696 ESP Fit Center 2755 is at -6.646122 -0.126715 0.708696 ESP Fit Center 2756 is at -6.523519 -0.530883 0.708696 ESP Fit Center 2757 is at -6.324423 -0.903366 0.708696 ESP Fit Center 2758 is at -6.056484 -1.229849 0.708696 ESP Fit Center 2759 is at -5.730000 -1.497788 0.708696 ESP Fit Center 2760 is at -5.357517 -1.696884 0.708696 ESP Fit Center 2761 is at -4.850455 2.501346 0.302372 ESP Fit Center 2762 is at -5.262537 2.401377 0.302372 ESP Fit Center 2763 is at -5.648252 2.225226 0.302372 ESP Fit Center 2764 is at -5.993661 1.979262 0.302372 ESP Fit Center 2765 is at -6.286278 1.672374 0.302372 ESP Fit Center 2766 is at -6.515528 1.315653 0.302372 ESP Fit Center 2767 is at 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Center 2929 is at -2.662579 -2.421331 -2.332739 ESP Fit Center 2930 is at -2.590385 -2.830764 -2.332739 ESP Fit Center 2931 is at -2.382511 -3.190813 -2.332739 ESP Fit Center 2932 is at -2.064029 -3.458051 -2.332739 ESP Fit Center 2933 is at -1.673353 -3.600245 -2.332739 ESP Fit Center 2934 is at -1.257604 -3.600245 -2.332739 ESP Fit Center 2935 is at -0.866928 -3.458051 -2.332739 ESP Fit Center 2936 is at -0.548446 -3.190813 -2.332739 ESP Fit Center 2937 is at -0.340572 -2.830764 -2.332739 ESP Fit Center 2938 is at -0.632422 -2.421331 -2.561483 ESP Fit Center 2939 is at -0.744030 -2.004803 -2.561483 ESP Fit Center 2940 is at -1.048950 -1.699883 -2.561483 ESP Fit Center 2941 is at -1.465478 -1.588275 -2.561483 ESP Fit Center 2942 is at -1.882007 -1.699883 -2.561483 ESP Fit Center 2943 is at -2.186927 -2.004803 -2.561483 ESP Fit Center 2944 is at -2.298535 -2.421331 -2.561483 ESP Fit Center 2945 is at -2.186927 -2.837860 -2.561483 ESP Fit Center 2946 is at -1.882007 -3.142780 -2.561483 ESP Fit Center 2947 is at -1.465478 -3.254388 -2.561483 ESP Fit Center 2948 is at -1.048950 -3.142780 -2.561483 ESP Fit Center 2949 is at -0.744030 -2.837860 -2.561483 ESP Fit Center 2950 is at -1.038238 -2.421331 -2.703484 ESP Fit Center 2951 is at -1.251858 -2.051331 -2.703484 ESP Fit Center 2952 is at -1.679099 -2.051331 -2.703484 ESP Fit Center 2953 is at -1.892719 -2.421331 -2.703484 ESP Fit Center 2954 is at -1.679099 -2.791332 -2.703484 ESP Fit Center 2955 is at -1.251858 -2.791332 -2.703484 ESP Fit Center 2956 is at -1.465478 -2.421331 -2.751623 ESP Fit Center 2957 is at -2.963250 -1.318251 2.310908 ESP Fit Center 2958 is at -2.551651 -1.318251 2.272768 ESP Fit Center 2959 is at -2.757451 -0.961796 2.272768 ESP Fit Center 2960 is at -3.169050 -0.961796 2.272768 ESP Fit Center 2961 is at -3.374849 -1.318251 2.272768 ESP Fit Center 2962 is at -3.169050 -1.674706 2.272768 ESP Fit Center 2963 is at -2.757451 -1.674706 2.272768 ESP Fit Center 2964 is at -3.772432 -1.318251 2.159646 ESP Fit Center 2965 is at -3.664022 -1.722842 2.159646 ESP Fit Center 2966 is at -3.367841 -2.019023 2.159646 ESP Fit Center 2967 is at -2.963250 -2.127433 2.159646 ESP Fit Center 2968 is at -4.122380 -1.534930 1.975395 ESP Fit Center 2969 is at -3.965833 -1.939024 1.975395 ESP Fit Center 2970 is at -3.673882 -2.259280 1.975395 ESP Fit Center 2971 is at -3.285956 -2.452444 1.975395 ESP Fit Center 2972 is at -4.472329 -1.318251 1.726288 ESP Fit Center 2973 is at -4.411200 -1.743408 1.726288 ESP Fit Center 2974 is at -4.232768 -2.134121 1.726288 ESP Fit Center 2975 is at -3.951486 -2.458737 1.726288 ESP Fit Center 2976 is at -3.590144 -2.690957 1.726288 ESP Fit Center 2977 is at -3.178015 -2.811969 1.726288 ESP Fit Center 2978 is at -4.738722 -1.525774 1.420810 ESP Fit Center 2979 is at -4.643006 -1.929632 1.420810 ESP Fit Center 2980 is at -4.456734 -2.300531 1.420810 ESP Fit Center 2981 is at -4.189948 -2.618474 1.420810 ESP Fit Center 2982 is at -3.857030 -2.866322 1.420810 ESP Fit Center 2983 is at -3.475928 -3.030714 1.420810 ESP Fit Center 2984 is at -4.924598 -1.735149 1.069362 ESP Fit Center 2985 is at -4.795060 -2.133826 1.069362 ESP Fit Center 2986 is at -4.585464 -2.496858 1.069362 ESP Fit Center 2987 is at -4.304968 -2.808380 1.069362 ESP Fit Center 2988 is at -3.965833 -3.054776 1.069362 ESP Fit Center 2989 is at -3.582881 -3.225277 1.069362 ESP Fit Center 2990 is at -3.172847 -3.312433 1.069362 ESP Fit Center 2991 is at -4.953739 -2.142739 0.683914 ESP Fit Center 2992 is at -4.754643 -2.515222 0.683914 ESP Fit Center 2993 is at -4.486704 -2.841705 0.683914 ESP Fit Center 2994 is at -4.160221 -3.109644 0.683914 ESP Fit Center 2995 is at -3.787738 -3.308740 0.683914 ESP Fit Center 2996 is at -3.383570 -3.431343 0.683914 ESP Fit Center 2997 is at -5.103346 -1.946640 0.277590 ESP Fit Center 2998 is at -4.945749 -2.340300 0.277590 ESP Fit Center 2999 is at -4.716498 -2.697021 0.277590 ESP Fit Center 3000 is at -4.423881 -3.003909 0.277590 ESP Fit Center 3001 is at -4.078473 -3.249873 0.277590 ESP Fit Center 3002 is at -3.692757 -3.426023 0.277590 ESP Fit Center 3003 is at -3.280676 -3.525993 0.277590 ESP Fit Center 3004 is at -5.103346 -1.946640 -0.135773 ESP Fit Center 3005 is at -4.945749 -2.340300 -0.135773 ESP Fit Center 3006 is at -4.716498 -2.697021 -0.135773 ESP Fit Center 3007 is at -4.423881 -3.003909 -0.135773 ESP Fit Center 3008 is at -4.078473 -3.249873 -0.135773 ESP Fit Center 3009 is at -3.692757 -3.426023 -0.135773 ESP Fit Center 3010 is at -3.280676 -3.525993 -0.135773 ESP Fit Center 3011 is at -4.953739 -2.142739 -0.542097 ESP Fit Center 3012 is at -4.754643 -2.515222 -0.542097 ESP Fit Center 3013 is at -4.486704 -2.841705 -0.542097 ESP Fit Center 3014 is at -4.160221 -3.109644 -0.542097 ESP Fit Center 3015 is at -3.787738 -3.308740 -0.542097 ESP Fit Center 3016 is at -3.383570 -3.431343 -0.542097 ESP Fit Center 3017 is at -4.924598 -1.735149 -0.927545 ESP Fit Center 3018 is at -4.795060 -2.133826 -0.927545 ESP Fit Center 3019 is at -4.585464 -2.496858 -0.927545 ESP Fit Center 3020 is at -4.304968 -2.808380 -0.927545 ESP Fit Center 3021 is at -3.965833 -3.054776 -0.927545 ESP Fit Center 3022 is at -3.582881 -3.225277 -0.927545 ESP Fit Center 3023 is at -4.738722 -1.525774 -1.278993 ESP Fit Center 3024 is at -4.643006 -1.929632 -1.278993 ESP Fit Center 3025 is at -4.456734 -2.300531 -1.278993 ESP Fit Center 3026 is at -4.189948 -2.618474 -1.278993 ESP Fit Center 3027 is at -3.857030 -2.866322 -1.278993 ESP Fit Center 3028 is at -3.475928 -3.030714 -1.278993 ESP Fit Center 3029 is at -4.411200 -1.743408 -1.584471 ESP Fit Center 3030 is at -4.232768 -2.134121 -1.584471 ESP Fit Center 3031 is at -3.951486 -2.458737 -1.584471 ESP Fit Center 3032 is at -3.590144 -2.690957 -1.584471 ESP Fit Center 3033 is at -4.122380 -1.534930 -1.833578 ESP Fit Center 3034 is at -3.965833 -1.939024 -1.833578 ESP Fit Center 3035 is at -3.673882 -2.259280 -1.833578 ESP Fit Center 3036 is at -3.285956 -2.452444 -1.833578 ESP Fit Center 3037 is at -3.772432 -1.318251 -2.017829 ESP Fit Center 3038 is at -3.664022 -1.722842 -2.017829 ESP Fit Center 3039 is at -3.367841 -2.019023 -2.017829 ESP Fit Center 3040 is at -2.963250 -2.127433 -2.017829 ESP Fit Center 3041 is at -2.757451 -0.961796 -2.130951 ESP Fit Center 3042 is at -3.374849 -1.318251 -2.130951 ESP Fit Center 3043 is at -3.169050 -1.674706 -2.130951 ESP Fit Center 3044 is at -2.757451 -1.674706 -2.130951 ESP Fit Center 3045 is at -2.963250 -1.318251 -2.169092 ESP Fit Center 3046 is at -1.402355 -2.384160 2.827628 ESP Fit Center 3047 is at -0.975115 -2.384160 2.779490 ESP Fit Center 3048 is at -1.188735 -2.014159 2.779490 ESP Fit Center 3049 is at -1.615976 -2.014159 2.779490 ESP Fit Center 3050 is at -1.829596 -2.384160 2.779490 ESP Fit Center 3051 is at -1.615976 -2.754160 2.779490 ESP Fit Center 3052 is at -1.188735 -2.754160 2.779490 ESP Fit Center 3053 is at -0.569299 -2.384160 2.637489 ESP Fit Center 3054 is at -0.680907 -1.967631 2.637489 ESP Fit Center 3055 is at -0.985827 -1.662711 2.637489 ESP Fit Center 3056 is at -1.402355 -1.551103 2.637489 ESP Fit Center 3057 is at -1.818884 -1.662711 2.637489 ESP Fit Center 3058 is at -2.123804 -1.967631 2.637489 ESP Fit Center 3059 is at -2.235412 -2.384160 2.637489 ESP Fit Center 3060 is at -2.123804 -2.800688 2.637489 ESP Fit Center 3061 is at -1.818884 -3.105608 2.637489 ESP Fit Center 3062 is at -1.402355 -3.217216 2.637489 ESP Fit Center 3063 is at -0.985827 -3.105608 2.637489 ESP Fit Center 3064 is at -0.680907 -2.800688 2.637489 ESP Fit Center 3065 is at -0.205255 -2.384160 2.408745 ESP Fit Center 3066 is at -0.277449 -1.974727 2.408745 ESP Fit Center 3067 is at -0.485323 -1.614678 2.408745 ESP Fit Center 3068 is at -0.803805 -1.347440 2.408745 ESP Fit Center 3069 is at -1.194481 -1.205246 2.408745 ESP Fit Center 3070 is at -1.610230 -1.205246 2.408745 ESP Fit Center 3071 is at -2.000906 -1.347440 2.408745 ESP Fit Center 3072 is at -2.319388 -1.614678 2.408745 ESP Fit Center 3073 is at -2.527262 -1.974727 2.408745 ESP Fit Center 3074 is at -2.599456 -2.384160 2.408745 ESP Fit Center 3075 is at -2.527262 -2.793592 2.408745 ESP Fit Center 3076 is at -2.319388 -3.153641 2.408745 ESP Fit Center 3077 is at -2.000906 -3.420879 2.408745 ESP Fit Center 3078 is at -1.610230 -3.563073 2.408745 ESP Fit Center 3079 is at -1.194481 -3.563073 2.408745 ESP Fit Center 3080 is at -0.803805 -3.420879 2.408745 ESP Fit Center 3081 is at -0.485323 -3.153641 2.408745 ESP Fit Center 3082 is at -0.277449 -2.793592 2.408745 ESP Fit Center 3083 is at 0.098761 -2.384160 2.104729 ESP Fit Center 3084 is at 0.037955 -1.961246 2.104729 ESP Fit Center 3085 is at -2.903472 -2.384160 2.104729 ESP Fit Center 3086 is at -2.842666 -2.807073 2.104729 ESP Fit Center 3087 is at -2.665175 -3.195724 2.104729 ESP Fit Center 3088 is at -2.385378 -3.518628 2.104729 ESP Fit Center 3089 is at -2.025942 -3.749623 2.104729 ESP Fit Center 3090 is at -1.615987 -3.869997 2.104729 ESP Fit Center 3091 is at -1.188724 -3.869997 2.104729 ESP Fit Center 3092 is at -0.778769 -3.749623 2.104729 ESP Fit Center 3093 is at -0.419333 -3.518628 2.104729 ESP Fit Center 3094 is at -0.139536 -3.195724 2.104729 ESP Fit Center 3095 is at 0.037955 -2.807073 2.104729 ESP Fit Center 3096 is at -2.934071 -3.188066 1.740685 ESP Fit Center 3097 is at -2.697174 -3.531269 1.740685 ESP Fit Center 3098 is at -2.385028 -3.807807 1.740685 ESP Fit Center 3099 is at -2.015772 -4.001607 1.740685 ESP Fit Center 3100 is at -1.610867 -4.101407 1.740685 ESP Fit Center 3101 is at -1.193844 -4.101407 1.740685 ESP Fit Center 3102 is at -0.788939 -4.001607 1.740685 ESP Fit Center 3103 is at -0.419683 -3.807807 1.740685 ESP Fit Center 3104 is at -0.107536 -3.531269 1.740685 ESP Fit Center 3105 is at 0.129360 -3.188066 1.740685 ESP Fit Center 3106 is at 0.277238 -2.798142 1.740685 ESP Fit Center 3107 is at -3.088844 -3.196330 1.334869 ESP Fit Center 3108 is at -2.865836 -3.551246 1.334869 ESP Fit Center 3109 is at -2.569442 -3.847640 1.334869 ESP Fit Center 3110 is at -2.214526 -4.070649 1.334869 ESP Fit Center 3111 is at -1.818884 -4.209090 1.334869 ESP Fit Center 3112 is at -1.402355 -4.256021 1.334869 ESP Fit Center 3113 is at -0.985827 -4.209090 1.334869 ESP Fit Center 3114 is at -0.590185 -4.070649 1.334869 ESP Fit Center 3115 is at -0.235269 -3.847640 1.334869 ESP Fit Center 3116 is at 0.061125 -3.551246 1.334869 ESP Fit Center 3117 is at 0.284134 -3.196330 1.334869 ESP Fit Center 3118 is at -2.796267 -3.704543 0.907628 ESP Fit Center 3119 is at -2.479835 -3.973323 0.907628 ESP Fit Center 3120 is at -2.113021 -4.167795 0.907628 ESP Fit Center 3121 is at -1.712977 -4.278867 0.907628 ESP Fit Center 3122 is at -1.298409 -4.301344 0.907628 ESP Fit Center 3123 is at -0.888701 -4.234176 0.907628 ESP Fit Center 3124 is at -0.503011 -4.080503 0.907628 ESP Fit Center 3125 is at -0.159374 -3.847511 0.907628 ESP Fit Center 3126 is at 0.126143 -3.546094 0.907628 ESP Fit Center 3127 is at -2.214526 -4.070649 0.480388 ESP Fit Center 3128 is at -1.818884 -4.209090 0.480388 ESP Fit Center 3129 is at -1.402355 -4.256021 0.480388 ESP Fit Center 3130 is at -0.985827 -4.209090 0.480388 ESP Fit Center 3131 is at -0.590185 -4.070649 0.480388 ESP Fit Center 3132 is at -0.235269 -3.847640 0.480388 ESP Fit Center 3133 is at 0.061125 -3.551246 0.480388 ESP Fit Center 3134 is at 3.014368 0.610883 -2.737992 ESP Fit Center 3135 is at 2.597195 0.499101 -2.737992 ESP Fit Center 3136 is at 2.803181 0.142322 -2.836898 ESP Fit Center 3137 is at 3.520158 -0.418422 3.969025 ESP Fit Center 3138 is at 3.942531 -0.418422 3.935783 ESP Fit Center 3139 is at 3.731344 -0.052637 3.935783 ESP Fit Center 3140 is at 3.308971 -0.052637 3.935783 ESP Fit Center 3141 is at 3.097785 -0.418422 3.935783 ESP Fit Center 3142 is at 3.308971 -0.784208 3.935783 ESP Fit Center 3143 is at 3.731344 -0.784208 3.935783 ESP Fit Center 3144 is at 4.354504 -0.418422 3.836877 ESP Fit Center 3145 is at 4.242723 -0.001249 3.836877 ESP Fit Center 3146 is at 2.685812 -0.418422 3.836877 ESP Fit Center 3147 is at 3.520158 -1.252768 3.836877 ESP Fit Center 3148 is at 3.937331 -1.140987 3.836877 ESP Fit Center 3149 is at 4.242723 -0.835595 3.836877 ESP Fit Center 3150 is at 4.745932 -0.418422 3.674742 ESP Fit Center 3151 is at 4.672009 0.000817 3.674742 ESP Fit Center 3152 is at 2.294384 -0.418422 3.674742 ESP Fit Center 3153 is at 4.133045 -1.479974 3.674742 ESP Fit Center 3154 is at 4.459156 -1.206335 3.674742 ESP Fit Center 3155 is at 4.672009 -0.837662 3.674742 ESP Fit Center 3156 is at 5.107178 -0.418422 3.453371 ESP Fit Center 3157 is at 5.053102 -0.007671 3.453371 ESP Fit Center 3158 is at 4.894558 0.375088 3.453371 ESP Fit Center 3159 is at 1.987214 -0.007671 3.453371 ESP Fit Center 3160 is at 1.933138 -0.418422 3.453371 ESP Fit Center 3161 is at 4.313668 -1.792822 3.453371 ESP Fit Center 3162 is at 4.642351 -1.540615 3.453371 ESP Fit Center 3163 is at 4.894558 -1.211933 3.453371 ESP Fit Center 3164 is at 5.053102 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3183 is at 5.465566 1.453845 1.269025 ESP Fit Center 3184 is at 5.156966 1.728868 1.269025 ESP Fit Center 3185 is at 4.034214 -3.069035 1.269025 ESP Fit Center 3186 is at 4.432803 -2.959501 1.269025 ESP Fit Center 3187 is at 5.405841 1.467261 0.846652 ESP Fit Center 3188 is at 5.087639 1.739031 0.846652 ESP Fit Center 3189 is at 4.730841 1.957677 0.846652 ESP Fit Center 3190 is at 4.344232 -2.954660 0.846652 ESP Fit Center 3191 is at 5.546554 1.158785 0.434679 ESP Fit Center 3192 is at 5.259317 1.470808 0.434679 ESP Fit Center 3193 is at 2.698933 -3.213247 0.818796 ESP Fit Center 3194 is at 3.122871 -3.287998 0.818796 ESP Fit Center 3195 is at 3.552621 -3.262968 0.818796 ESP Fit Center 3196 is at 3.965015 -3.139506 0.818796 ESP Fit Center 3197 is at 2.701882 -3.479424 0.490356 ESP Fit Center 3198 is at 3.123821 -3.544063 0.490356 ESP Fit Center 3199 is at 3.550134 -3.522442 0.490356 ESP Fit Center 3200 is at 3.963369 -3.415449 0.490356 ESP Fit Center 3201 is at 2.599128 -3.656763 0.124319 ESP Fit Center 3202 is at 3.017741 -3.735015 0.124319 ESP Fit Center 3203 is at 3.443606 -3.735015 0.124319 ESP Fit Center 3204 is at 3.862219 -3.656763 0.124319 ESP Fit Center 3205 is at 2.395156 -3.732675 -0.269330 ESP Fit Center 3206 is at 2.806470 -3.842887 -0.269330 ESP Fit Center 3207 is at 3.230673 -3.880000 -0.269330 ESP Fit Center 3208 is at 3.654876 -3.842887 -0.269330 ESP Fit Center 3209 is at 4.066190 -3.732675 -0.269330 ESP Fit Center 3210 is at 2.495280 -3.838421 -0.679853 ESP Fit Center 3211 is at 2.911682 -3.928163 -0.679853 ESP Fit Center 3212 is at 3.337260 -3.946241 -0.679853 ESP Fit Center 3213 is at 3.759772 -3.892136 -0.679853 ESP Fit Center 3214 is at 2.100035 -3.679599 -1.096053 ESP Fit Center 3215 is at 2.495280 -3.838421 -1.096053 ESP Fit Center 3216 is at 2.911682 -3.928163 -1.096053 ESP Fit Center 3217 is at 3.337260 -3.946241 -1.096053 ESP Fit Center 3218 is at 3.759772 -3.892136 -1.096053 ESP Fit Center 3219 is at 2.009229 -3.552715 -1.506577 ESP Fit Center 3220 is at 2.395156 -3.732675 -1.506577 ESP Fit Center 3221 is at 2.806470 -3.842887 -1.506577 ESP Fit Center 3222 is at 3.230673 -3.880000 -1.506577 ESP Fit Center 3223 is at 3.654876 -3.842887 -1.506577 ESP Fit Center 3224 is at 4.066190 -3.732675 -1.506577 ESP Fit Center 3225 is at 1.525226 -2.991831 -1.900226 ESP Fit Center 3226 is at 1.839944 -3.278734 -1.900226 ESP Fit Center 3227 is at 2.202021 -3.502923 -1.900226 ESP Fit Center 3228 is at 2.599128 -3.656763 -1.900226 ESP Fit Center 3229 is at 3.017741 -3.735015 -1.900226 ESP Fit Center 3230 is at 3.443606 -3.735015 -1.900226 ESP Fit Center 3231 is at 3.862219 -3.656763 -1.900226 ESP Fit Center 3232 is at 1.386100 -2.460933 -2.266263 ESP Fit Center 3233 is at 1.629952 -2.811285 -2.266263 ESP Fit Center 3234 is at 1.939338 -3.105378 -2.266263 ESP Fit Center 3235 is at 2.301592 -3.331173 -2.266263 ESP Fit Center 3236 is at 2.701882 -3.479424 -2.266263 ESP Fit Center 3237 is at 3.123821 -3.544063 -2.266263 ESP Fit Center 3238 is at 3.550134 -3.522442 -2.266263 ESP Fit Center 3239 is at 3.963369 -3.415449 -2.266263 ESP Fit Center 3240 is at 4.650938 -0.245367 -2.594703 ESP Fit Center 3241 is at 4.337820 0.050045 -2.594703 ESP Fit Center 3242 is at 1.389185 -1.652350 -2.594703 ESP Fit Center 3243 is at 1.488460 -2.071225 -2.594703 ESP Fit Center 3244 is at 1.681659 -2.455914 -2.594703 ESP Fit Center 3245 is at 1.958365 -2.785679 -2.594703 ESP Fit Center 3246 is at 2.303661 -3.042743 -2.594703 ESP Fit Center 3247 is at 2.698933 -3.213247 -2.594703 ESP Fit Center 3248 is at 3.122871 -3.287998 -2.594703 ESP Fit Center 3249 is at 3.552621 -3.262968 -2.594703 ESP Fit Center 3250 is at 3.965015 -3.139506 -2.594703 ESP Fit Center 3251 is at 4.553157 -0.632891 -2.876587 ESP Fit Center 3252 is at 4.287140 -0.305911 -2.876587 ESP Fit Center 3253 is at 3.942769 -0.062828 -2.876587 ESP Fit Center 3254 is at 3.545586 0.078331 -2.876587 ESP Fit Center 3255 is at 3.125047 0.107097 -2.876587 ESP Fit Center 3256 is at 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-0.255945 -3.104227 ESP Fit Center 3275 is at 3.022402 -0.255945 -3.104227 ESP Fit Center 3276 is at 2.630980 -0.398411 -3.104227 ESP Fit Center 3277 is at 2.311889 -0.666160 -3.104227 ESP Fit Center 3278 is at 2.103618 -1.026896 -3.104227 ESP Fit Center 3279 is at 2.031286 -1.437111 -3.104227 ESP Fit Center 3280 is at 2.103618 -1.847326 -3.104227 ESP Fit Center 3281 is at 2.311889 -2.208062 -3.104227 ESP Fit Center 3282 is at 2.630980 -2.475811 -3.104227 ESP Fit Center 3283 is at 3.022402 -2.618277 -3.104227 ESP Fit Center 3284 is at 3.438945 -2.618277 -3.104227 ESP Fit Center 3285 is at 3.830367 -2.475811 -3.104227 ESP Fit Center 3286 is at 4.149457 -2.208062 -3.104227 ESP Fit Center 3287 is at 4.357729 -1.847326 -3.104227 ESP Fit Center 3288 is at 4.048916 -1.437111 -3.271413 ESP Fit Center 3289 is at 3.939292 -1.027990 -3.271413 ESP Fit Center 3290 is at 3.639795 -0.728492 -3.271413 ESP Fit Center 3291 is at 3.230673 -0.618868 -3.271413 ESP Fit Center 3292 is at 2.821552 -0.728492 -3.271413 ESP Fit Center 3293 is at 2.522054 -1.027990 -3.271413 ESP Fit Center 3294 is at 2.412431 -1.437111 -3.271413 ESP Fit Center 3295 is at 2.522054 -1.846232 -3.271413 ESP Fit Center 3296 is at 2.821552 -2.145730 -3.271413 ESP Fit Center 3297 is at 3.230673 -2.255354 -3.271413 ESP Fit Center 3298 is at 3.639795 -2.145730 -3.271413 ESP Fit Center 3299 is at 3.939292 -1.846232 -3.271413 ESP Fit Center 3300 is at 3.645452 -1.437111 -3.373584 ESP Fit Center 3301 is at 3.438062 -1.077902 -3.373584 ESP Fit Center 3302 is at 3.023284 -1.077902 -3.373584 ESP Fit Center 3303 is at 2.815895 -1.437111 -3.373584 ESP Fit Center 3304 is at 3.023284 -1.796319 -3.373584 ESP Fit Center 3305 is at 3.438062 -1.796319 -3.373584 ESP Fit Center 3306 is at 3.230673 -1.437111 -3.407953 ESP Fit Center 3307 is at -2.387594 1.028154 2.701602 ESP Fit Center 3308 is at -1.965221 1.028154 2.668361 ESP Fit Center 3309 is at -2.176407 1.393940 2.668361 ESP Fit Center 3310 is at -2.598780 1.393940 2.668361 ESP Fit Center 3311 is at -2.809967 1.028154 2.668361 ESP Fit Center 3312 is at -2.598780 0.662368 2.668361 ESP Fit Center 3313 is at -2.176407 0.662368 2.668361 ESP Fit Center 3314 is at -1.665029 1.445327 2.569455 ESP Fit Center 3315 is at -1.970421 1.750719 2.569455 ESP Fit Center 3316 is at -2.387594 1.862500 2.569455 ESP Fit Center 3317 is at -2.804767 1.750719 2.569455 ESP Fit Center 3318 is at -3.110158 1.445327 2.569455 ESP Fit Center 3319 is at -3.221939 1.028154 2.569455 ESP Fit Center 3320 is at -1.970421 0.305589 2.569455 ESP Fit Center 3321 is at -1.448596 1.816066 2.407320 ESP Fit Center 3322 is at -1.774706 2.089706 2.407320 ESP Fit Center 3323 is at -2.174740 2.235306 2.407320 ESP Fit Center 3324 is at -2.600447 2.235306 2.407320 ESP Fit Center 3325 is at -3.000481 2.089706 2.407320 ESP Fit Center 3326 is at -3.326591 1.816066 2.407320 ESP Fit Center 3327 is at -3.539445 1.447393 2.407320 ESP Fit Center 3328 is at -1.594083 2.402554 2.185948 ESP Fit Center 3329 is at -1.976843 2.561098 2.185948 ESP Fit Center 3330 is at -2.387594 2.615174 2.185948 ESP Fit Center 3331 is at -2.798345 2.561098 2.185948 ESP Fit Center 3332 is at -3.181104 2.402554 2.185948 ESP Fit Center 3333 is at -3.509786 2.150347 2.185948 ESP Fit Center 3334 is at -3.761993 1.821664 2.185948 ESP Fit Center 3335 is at -1.962759 2.889475 1.910790 ESP Fit Center 3336 is at -2.387594 2.937342 1.910790 ESP Fit Center 3337 is at -3.577953 2.520817 1.910790 ESP Fit Center 3338 is at -3.880257 2.218513 1.910790 ESP Fit Center 3339 is at -4.104605 2.378427 1.588622 ESP Fit Center 3340 is at -4.104605 2.378427 -1.585418 ESP Fit Center 3341 is at -1.962759 2.889475 -1.907586 ESP Fit Center 3342 is at -3.577953 2.520817 -1.907586 ESP Fit Center 3343 is at -3.880257 2.218513 -1.907586 ESP Fit Center 3344 is at -4.107713 1.856520 -1.907586 ESP Fit Center 3345 is at -1.976843 2.561098 -2.182744 ESP Fit Center 3346 is at -2.387594 2.615174 -2.182744 ESP Fit Center 3347 is at -2.798345 2.561098 -2.182744 ESP Fit Center 3348 is at -3.181104 2.402554 -2.182744 ESP Fit Center 3349 is at -3.509786 2.150347 -2.182744 ESP Fit Center 3350 is at -3.761993 1.821664 -2.182744 ESP Fit Center 3351 is at -3.920537 1.438905 -2.182744 ESP Fit Center 3352 is at -1.774706 2.089706 -2.404116 ESP Fit Center 3353 is at -2.174740 2.235306 -2.404116 ESP Fit Center 3354 is at -2.600447 2.235306 -2.404116 ESP Fit Center 3355 is at -3.000481 2.089706 -2.404116 ESP Fit Center 3356 is at -3.326591 1.816066 -2.404116 ESP Fit Center 3357 is at -3.539445 1.447393 -2.404116 ESP Fit Center 3358 is at -2.174740 -0.178998 -2.404116 ESP Fit Center 3359 is at -1.970421 1.750719 -2.566251 ESP Fit Center 3360 is at -2.387594 1.862500 -2.566251 ESP Fit Center 3361 is at -2.804767 1.750719 -2.566251 ESP Fit Center 3362 is at -3.110158 1.445327 -2.566251 ESP Fit Center 3363 is at -3.221939 1.028154 -2.566251 ESP Fit Center 3364 is at -3.110158 0.610981 -2.566251 ESP Fit Center 3365 is at -2.387594 0.193808 -2.566251 ESP Fit Center 3366 is at -1.970421 0.305589 -2.566251 ESP Fit Center 3367 is at -1.965221 1.028154 -2.665157 ESP Fit Center 3368 is at -2.176407 1.393940 -2.665157 ESP Fit Center 3369 is at -2.598780 1.393940 -2.665157 ESP Fit Center 3370 is at -2.809967 1.028154 -2.665157 ESP Fit Center 3371 is at -2.598780 0.662368 -2.665157 ESP Fit Center 3372 is at -2.176407 0.662368 -2.665157 ESP Fit Center 3373 is at -2.387594 1.028154 -2.698398 ESP Fit Center 3374 is at -1.041376 0.733971 2.658604 ESP Fit Center 3375 is at -0.619003 0.733971 2.625363 ESP Fit Center 3376 is at -0.830190 1.099757 2.625363 ESP Fit Center 3377 is at -1.252563 1.099757 2.625363 ESP Fit Center 3378 is at -1.463749 0.733971 2.625363 ESP Fit Center 3379 is at -1.252563 0.368185 2.625363 ESP Fit Center 3380 is at -0.830190 0.368185 2.625363 ESP Fit Center 3381 is at -0.207030 0.733971 2.526457 ESP Fit Center 3382 is at -1.041376 1.568317 2.526457 ESP Fit Center 3383 is at -1.458549 1.456536 2.526457 ESP Fit Center 3384 is at -1.458549 0.011406 2.526457 ESP Fit Center 3385 is at -0.318811 0.316798 2.526457 ESP Fit Center 3386 is at -1.980374 -0.053942 -2.447113 ESP Fit Center 3387 is at 0.110475 0.314731 -2.447113 ESP Fit Center 3388 is at -1.458549 1.456536 -2.609248 ESP Fit Center 3389 is at -1.763941 0.316798 -2.609248 ESP Fit Center 3390 is at -1.458549 0.011406 -2.609248 ESP Fit Center 3391 is at -0.318811 0.316798 -2.609248 ESP Fit Center 3392 is at -0.619003 0.733971 -2.708154 ESP Fit Center 3393 is at -0.830190 1.099757 -2.708154 ESP Fit Center 3394 is at -1.252563 1.099757 -2.708154 ESP Fit Center 3395 is at -1.463749 0.733971 -2.708154 ESP Fit Center 3396 is at -1.252563 0.368185 -2.708154 ESP Fit Center 3397 is at -0.830190 0.368185 -2.708154 ESP Fit Center 3398 is at -1.041376 0.733971 -2.741396 ESP Fit Center 3399 is at -0.188502 1.677815 2.607918 ESP Fit Center 3400 is at 0.233871 1.677815 2.574677 ESP Fit Center 3401 is at 0.022685 2.043601 2.574677 ESP Fit Center 3402 is at -0.399688 2.043601 2.574677 ESP Fit Center 3403 is at -0.610875 1.677815 2.574677 ESP Fit Center 3404 is at -0.399688 1.312029 2.574677 ESP Fit Center 3405 is at 0.022685 1.312029 2.574677 ESP Fit Center 3406 is at 0.534063 2.094988 2.475771 ESP Fit Center 3407 is at 0.228671 2.400380 2.475771 ESP Fit Center 3408 is at -0.188502 2.512161 2.475771 ESP Fit Center 3409 is at -0.605675 2.400380 2.475771 ESP Fit Center 3410 is at -0.911066 2.094988 2.475771 ESP Fit Center 3411 is at 0.228671 0.955250 2.475771 ESP Fit Center 3412 is at 0.750496 2.465728 2.313636 ESP Fit Center 3413 is at 0.424386 2.739367 2.313636 ESP Fit Center 3414 is at 0.024352 2.884967 2.313636 ESP Fit Center 3415 is at -0.401355 2.884967 2.313636 ESP Fit Center 3416 is at -0.801389 2.739367 2.313636 ESP Fit Center 3417 is at -1.127499 2.465728 2.313636 ESP Fit Center 3418 is at -1.340353 2.097055 2.313636 ESP Fit Center 3419 is at 0.605008 3.052215 2.092264 ESP Fit Center 3420 is at 0.222249 3.210759 2.092264 ESP Fit Center 3421 is at -0.188502 3.264835 2.092264 ESP Fit Center 3422 is at -0.599253 3.210759 2.092264 ESP Fit Center 3423 is at -0.982012 3.052215 2.092264 ESP Fit Center 3424 is at -1.310694 2.800008 2.092264 ESP Fit Center 3425 is at 0.639864 3.397934 1.817107 ESP Fit Center 3426 is at 0.236333 3.539136 1.817107 ESP Fit Center 3427 is at -0.188502 3.587004 1.817107 ESP Fit Center 3428 is at -0.613336 3.539136 1.817107 ESP Fit Center 3429 is at -1.016867 3.397934 1.817107 ESP Fit Center 3430 is at -1.378861 3.170479 1.817107 ESP Fit Center 3431 is at 0.326477 3.800588 1.494938 ESP Fit Center 3432 is at -0.084566 3.859687 1.494938 ESP Fit Center 3433 is at -0.499366 3.839928 1.494938 ESP Fit Center 3434 is at -0.902931 3.742024 1.494938 ESP Fit Center 3435 is at -1.280675 3.569514 1.494938 ESP Fit Center 3436 is at -1.618944 3.328634 1.494938 ESP Fit Center 3437 is at 0.229247 4.046985 1.133693 ESP Fit Center 3438 is at -0.188502 4.083533 1.133693 ESP Fit Center 3439 is at -0.606250 4.046985 1.133693 ESP Fit Center 3440 is at -1.011305 3.938450 1.133693 ESP Fit Center 3441 is at -1.391360 3.761228 1.133693 ESP Fit Center 3442 is at 0.441869 4.167092 0.742264 ESP Fit Center 3443 is at 0.023550 4.236897 0.742264 ESP Fit Center 3444 is at -0.400553 4.236897 0.742264 ESP Fit Center 3445 is at -0.818872 4.167092 0.742264 ESP Fit Center 3446 is at -1.219996 4.029386 0.742264 ESP Fit Center 3447 is at -1.592984 3.827535 0.742264 ESP Fit Center 3448 is at 0.228671 4.311741 0.330291 ESP Fit Center 3449 is at -0.188502 4.344574 0.330291 ESP Fit Center 3450 is at -0.605675 4.311741 0.330291 ESP Fit Center 3451 is at -1.012575 4.214053 0.330291 ESP Fit Center 3452 is at -1.399185 4.053914 0.330291 ESP Fit Center 3453 is at 0.325554 4.328428 -0.092082 ESP Fit Center 3454 is at -0.085084 4.375834 -0.092082 ESP Fit Center 3455 is at -0.498147 4.360001 -0.092082 ESP Fit Center 3456 is at -0.903952 4.281300 -0.092082 ESP Fit Center 3457 is at -1.292987 4.141575 -0.092082 ESP Fit Center 3458 is at -1.656134 3.944102 -0.092082 ESP Fit Center 3459 is at 0.228671 4.311741 -0.514455 ESP Fit Center 3460 is at -0.188502 4.344574 -0.514455 ESP Fit Center 3461 is at -0.605675 4.311741 -0.514455 ESP Fit Center 3462 is at -1.012575 4.214053 -0.514455 ESP Fit Center 3463 is at -1.399185 4.053914 -0.514455 ESP Fit Center 3464 is at 0.441869 4.167092 -0.926428 ESP Fit Center 3465 is at 0.023550 4.236897 -0.926428 ESP Fit Center 3466 is at -0.400553 4.236897 -0.926428 ESP Fit Center 3467 is at -0.818872 4.167092 -0.926428 ESP Fit Center 3468 is at -1.219996 4.029386 -0.926428 ESP Fit Center 3469 is at -1.592984 3.827535 -0.926428 ESP Fit Center 3470 is at 0.229247 4.046985 -1.317856 ESP Fit Center 3471 is at -0.188502 4.083533 -1.317856 ESP Fit Center 3472 is at -0.606250 4.046985 -1.317856 ESP Fit Center 3473 is at -1.011305 3.938450 -1.317856 ESP Fit Center 3474 is at -1.391360 3.761228 -1.317856 ESP Fit Center 3475 is at -1.734867 3.520702 -1.317856 ESP Fit Center 3476 is at 0.326477 3.800588 -1.679102 ESP Fit Center 3477 is at -0.084566 3.859687 -1.679102 ESP Fit Center 3478 is at -0.499366 3.839928 -1.679102 ESP Fit Center 3479 is at -0.902931 3.742024 -1.679102 ESP Fit Center 3480 is at -1.280675 3.569514 -1.679102 ESP Fit Center 3481 is at -1.618944 3.328634 -1.679102 ESP Fit Center 3482 is at 0.236333 3.539136 -2.001270 ESP Fit Center 3483 is at -0.188502 3.587004 -2.001270 ESP Fit Center 3484 is at -0.613336 3.539136 -2.001270 ESP Fit Center 3485 is at -1.016867 3.397934 -2.001270 ESP Fit Center 3486 is at -1.378861 3.170479 -2.001270 ESP Fit Center 3487 is at -1.681165 2.868175 -2.001270 ESP Fit Center 3488 is at 0.605008 3.052215 -2.276428 ESP Fit Center 3489 is at 0.222249 3.210759 -2.276428 ESP Fit Center 3490 is at -0.188502 3.264835 -2.276428 ESP Fit Center 3491 is at -0.599253 3.210759 -2.276428 ESP Fit Center 3492 is at -0.982012 3.052215 -2.276428 ESP Fit Center 3493 is at -1.310694 2.800008 -2.276428 ESP Fit Center 3494 is at -1.562901 2.471325 -2.276428 ESP Fit Center 3495 is at 0.424386 2.739367 -2.497799 ESP Fit Center 3496 is at 0.024352 2.884967 -2.497799 ESP Fit Center 3497 is at -0.401355 2.884967 -2.497799 ESP Fit Center 3498 is at -0.801389 2.739367 -2.497799 ESP Fit Center 3499 is at -1.127499 2.465728 -2.497799 ESP Fit Center 3500 is at -1.340353 2.097055 -2.497799 ESP Fit Center 3501 is at 0.228671 2.400380 -2.659934 ESP Fit Center 3502 is at -0.188502 2.512161 -2.659934 ESP Fit Center 3503 is at -0.605675 2.400380 -2.659934 ESP Fit Center 3504 is at -0.911066 2.094988 -2.659934 ESP Fit Center 3505 is at -1.022847 1.677815 -2.659934 ESP Fit Center 3506 is at -0.188502 0.843469 -2.659934 ESP Fit Center 3507 is at 0.228671 0.955250 -2.659934 ESP Fit Center 3508 is at 0.233871 1.677815 -2.758840 ESP Fit Center 3509 is at 0.022685 2.043601 -2.758840 ESP Fit Center 3510 is at -0.399688 2.043601 -2.758840 ESP Fit Center 3511 is at -0.610875 1.677815 -2.758840 ESP Fit Center 3512 is at -0.399688 1.312029 -2.758840 ESP Fit Center 3513 is at 0.022685 1.312029 -2.758840 ESP Fit Center 3514 is at -0.188502 1.677815 -2.792082 ESP Fit Center 3515 is at 1.179823 1.399836 2.563277 ESP Fit Center 3516 is at 1.391010 1.765622 2.530035 ESP Fit Center 3517 is at 0.968637 1.765622 2.530035 ESP Fit Center 3518 is at 0.757450 1.399836 2.530035 ESP Fit Center 3519 is at 0.968637 1.034050 2.530035 ESP Fit Center 3520 is at 1.596996 2.122401 2.431129 ESP Fit Center 3521 is at 1.179823 2.234182 2.431129 ESP Fit Center 3522 is at 0.762650 2.122401 2.431129 ESP Fit Center 3523 is at 0.762650 0.677271 2.431129 ESP Fit Center 3524 is at 1.392677 2.606988 2.268994 ESP Fit Center 3525 is at 0.966970 2.606988 2.268994 ESP Fit Center 3526 is at 0.769072 2.932780 -2.321069 ESP Fit Center 3527 is at 2.405598 1.399836 -2.542441 ESP Fit Center 3528 is at 0.966970 2.606988 -2.542441 ESP Fit Center 3529 is at 0.240826 0.611924 -2.542441 ESP Fit Center 3530 is at 2.014169 1.399836 -2.704576 ESP Fit Center 3531 is at 1.902388 1.817009 -2.704576 ESP Fit Center 3532 is at 1.596996 2.122401 -2.704576 ESP Fit Center 3533 is at 1.179823 2.234182 -2.704576 ESP Fit Center 3534 is at 0.762650 2.122401 -2.704576 ESP Fit Center 3535 is at 0.457258 0.982663 -2.704576 ESP Fit Center 3536 is at 0.762650 0.677271 -2.704576 ESP Fit Center 3537 is at 1.902388 0.982663 -2.704576 ESP Fit Center 3538 is at 1.602196 1.399836 -2.803482 ESP Fit Center 3539 is at 1.391010 1.765622 -2.803482 ESP Fit Center 3540 is at 0.968637 1.765622 -2.803482 ESP Fit Center 3541 is at 0.757450 1.399836 -2.803482 ESP Fit Center 3542 is at 0.968637 1.034050 -2.803482 ESP Fit Center 3543 is at 1.391010 1.034050 -2.803482 ESP Fit Center 3544 is at 1.179823 1.399836 -2.836723 ESP Fit Center 3545 is at 1.998282 2.325284 2.335065 ESP Fit Center 3546 is at 2.205671 2.684493 2.300696 ESP Fit Center 3547 is at 1.790892 2.684493 2.300696 ESP Fit Center 3548 is at 2.706901 2.734406 2.198524 ESP Fit Center 3549 is at 2.407403 3.033903 2.198524 ESP Fit Center 3550 is at 1.998282 3.143527 2.198524 ESP Fit Center 3551 is at 1.589160 3.033903 2.198524 ESP Fit Center 3552 is at 3.125337 2.735499 2.031339 ESP Fit Center 3553 is at 2.917066 3.096236 2.031339 ESP Fit Center 3554 is at 2.597975 3.363984 2.031339 ESP Fit Center 3555 is at 2.206553 3.506450 2.031339 ESP Fit Center 3556 is at 1.790010 3.506450 2.031339 ESP Fit Center 3557 is at 1.398588 3.363984 2.031339 ESP Fit Center 3558 is at 1.079498 3.096236 2.031339 ESP Fit Center 3559 is at 3.488700 2.742880 1.803699 ESP Fit Center 3560 is at 3.320766 3.129505 1.803699 ESP Fit Center 3561 is at 3.054748 3.456484 1.803699 ESP Fit Center 3562 is at 2.710378 3.699567 1.803699 ESP Fit Center 3563 is at 2.313194 3.840726 1.803699 ESP Fit Center 3564 is at 1.892655 3.869492 1.803699 ESP Fit Center 3565 is at 1.479950 3.783731 1.803699 ESP Fit Center 3566 is at 1.105687 3.589803 1.803699 ESP Fit Center 3567 is at 3.802330 2.752852 1.521815 ESP Fit Center 3568 is at 3.655098 3.157369 1.521815 ESP Fit Center 3569 is at 3.418547 3.517028 1.521815 ESP Fit Center 3570 is at 3.105428 3.812440 1.521815 ESP Fit Center 3571 is at 2.732623 4.027679 1.521815 ESP Fit Center 3572 is at 2.320230 4.151142 1.521815 ESP Fit Center 3573 is at 1.890480 4.176172 1.521815 ESP Fit Center 3574 is at 1.466541 4.101420 1.521815 ESP Fit Center 3575 is at 1.071270 3.930916 1.521815 ESP Fit Center 3576 is at 0.725973 3.673853 1.521815 ESP Fit Center 3577 is at 4.064756 2.749956 1.193374 ESP Fit Center 3578 is at 3.936970 3.157241 1.193374 ESP Fit Center 3579 is at 3.729813 3.530466 1.193374 ESP Fit Center 3580 is at 3.451767 3.854350 1.193374 ESP Fit Center 3581 is at 3.114216 4.115635 1.193374 ESP Fit Center 3582 is at 2.730977 4.303622 1.193374 ESP Fit Center 3583 is at 2.317743 4.410616 1.193374 ESP Fit Center 3584 is at 1.891429 4.432236 1.193374 ESP Fit Center 3585 is at 1.469490 4.367597 1.193374 ESP Fit Center 3586 is at 1.069200 4.219346 1.193374 ESP Fit Center 3587 is at 0.706946 3.993552 1.193374 ESP Fit Center 3588 is at 4.306030 2.325284 0.827337 ESP Fit Center 3589 is at 4.266737 2.749332 0.827337 ESP Fit Center 3590 is at 4.150193 3.158939 0.827337 ESP Fit Center 3591 is at 3.960369 3.540158 0.827337 ESP Fit Center 3592 is at 3.703729 3.880005 0.827337 ESP Fit Center 3593 is at 3.389011 4.166908 0.827337 ESP Fit Center 3594 is at 3.026934 4.391096 0.827337 ESP Fit Center 3595 is at 2.629827 4.544936 0.827337 ESP Fit Center 3596 is at 2.211214 4.623189 0.827337 ESP Fit Center 3597 is at 1.785349 4.623189 0.827337 ESP Fit Center 3598 is at 1.366736 4.544936 0.827337 ESP Fit Center 3599 is at 0.969629 4.391096 0.827337 ESP Fit Center 3600 is at 0.607552 4.166908 0.827337 ESP Fit Center 3601 is at 4.441170 2.325284 0.433688 ESP Fit Center 3602 is at 4.404057 2.749488 0.433688 ESP Fit Center 3603 is at 4.293846 3.160802 0.433688 ESP Fit Center 3604 is at 4.113885 3.546729 0.433688 ESP Fit Center 3605 is at 3.869643 3.895543 0.433688 ESP Fit Center 3606 is at 3.568540 4.196646 0.433688 ESP Fit Center 3607 is at 3.219726 4.440888 0.433688 ESP Fit Center 3608 is at 2.833799 4.620849 0.433688 ESP Fit Center 3609 is at 2.422485 4.731060 0.433688 ESP Fit Center 3610 is at 1.998282 4.768173 0.433688 ESP Fit Center 3611 is at 1.574078 4.731060 0.433688 ESP Fit Center 3612 is at 1.162764 4.620849 0.433688 ESP Fit Center 3613 is at 0.776837 4.440888 0.433688 ESP Fit Center 3614 is at 4.473550 2.749712 0.023165 ESP Fit Center 3615 is at 4.366217 3.161929 0.023165 ESP Fit Center 3616 is at 4.190763 3.550078 0.023165 ESP Fit Center 3617 is at 3.952235 3.902992 0.023165 ESP Fit Center 3618 is at 3.657495 4.210517 0.023165 ESP Fit Center 3619 is at 3.315023 4.463809 0.023165 ESP Fit Center 3620 is at 2.934671 4.655578 0.023165 ESP Fit Center 3621 is at 2.527380 4.780310 0.023165 ESP Fit Center 3622 is at 2.104868 4.834414 0.023165 ESP Fit Center 3623 is at 1.679290 4.816336 0.023165 ESP Fit Center 3624 is at 1.262889 4.726595 0.023165 ESP Fit Center 3625 is at 0.867643 4.567772 0.023165 ESP Fit Center 3626 is at 0.504924 4.344437 0.023165 ESP Fit Center 3627 is at 4.473550 2.749712 -0.393035 ESP Fit Center 3628 is at 4.366217 3.161929 -0.393035 ESP Fit Center 3629 is at 4.190763 3.550078 -0.393035 ESP Fit Center 3630 is at 3.952235 3.902992 -0.393035 ESP Fit Center 3631 is at 3.657495 4.210517 -0.393035 ESP Fit Center 3632 is at 3.315023 4.463809 -0.393035 ESP Fit Center 3633 is at 2.934671 4.655578 -0.393035 ESP Fit Center 3634 is at 2.527380 4.780310 -0.393035 ESP Fit Center 3635 is at 2.104868 4.834414 -0.393035 ESP Fit Center 3636 is at 1.679290 4.816336 -0.393035 ESP Fit Center 3637 is at 1.262889 4.726595 -0.393035 ESP Fit Center 3638 is at 0.867643 4.567772 -0.393035 ESP Fit Center 3639 is at 0.504924 4.344437 -0.393035 ESP Fit Center 3640 is at 4.404057 2.749488 -0.803558 ESP Fit Center 3641 is at 4.293846 3.160802 -0.803558 ESP Fit Center 3642 is at 4.113885 3.546729 -0.803558 ESP Fit Center 3643 is at 3.869643 3.895543 -0.803558 ESP Fit Center 3644 is at 3.568540 4.196646 -0.803558 ESP Fit Center 3645 is at 3.219726 4.440888 -0.803558 ESP Fit Center 3646 is at 2.833799 4.620849 -0.803558 ESP Fit Center 3647 is at 2.422485 4.731060 -0.803558 ESP Fit Center 3648 is at 1.998282 4.768173 -0.803558 ESP Fit Center 3649 is at 1.574078 4.731060 -0.803558 ESP Fit Center 3650 is at 1.162764 4.620849 -0.803558 ESP Fit Center 3651 is at 0.776837 4.440888 -0.803558 ESP Fit Center 3652 is at 4.266737 2.749332 -1.197207 ESP Fit Center 3653 is at 4.150193 3.158939 -1.197207 ESP Fit Center 3654 is at 3.960369 3.540158 -1.197207 ESP Fit Center 3655 is at 3.703729 3.880005 -1.197207 ESP Fit Center 3656 is at 3.389011 4.166908 -1.197207 ESP Fit Center 3657 is at 3.026934 4.391096 -1.197207 ESP Fit Center 3658 is at 2.629827 4.544936 -1.197207 ESP Fit Center 3659 is at 2.211214 4.623189 -1.197207 ESP Fit Center 3660 is at 1.785349 4.623189 -1.197207 ESP Fit Center 3661 is at 1.366736 4.544936 -1.197207 ESP Fit Center 3662 is at 0.969629 4.391096 -1.197207 ESP Fit Center 3663 is at 0.607552 4.166908 -1.197207 ESP Fit Center 3664 is at 4.064756 2.749956 -1.563244 ESP Fit Center 3665 is at 3.936970 3.157241 -1.563244 ESP Fit Center 3666 is at 3.729813 3.530466 -1.563244 ESP Fit Center 3667 is at 3.451767 3.854350 -1.563244 ESP Fit Center 3668 is at 3.114216 4.115635 -1.563244 ESP Fit Center 3669 is at 2.730977 4.303622 -1.563244 ESP Fit Center 3670 is at 2.317743 4.410616 -1.563244 ESP Fit Center 3671 is at 1.891429 4.432236 -1.563244 ESP Fit Center 3672 is at 1.469490 4.367597 -1.563244 ESP Fit Center 3673 is at 1.069200 4.219346 -1.563244 ESP Fit Center 3674 is at 0.706946 3.993552 -1.563244 ESP Fit Center 3675 is at 3.802330 2.752852 -1.891685 ESP Fit Center 3676 is at 3.655098 3.157369 -1.891685 ESP Fit Center 3677 is at 3.418547 3.517028 -1.891685 ESP Fit Center 3678 is at 3.105428 3.812440 -1.891685 ESP Fit Center 3679 is at 2.732623 4.027679 -1.891685 ESP Fit Center 3680 is at 2.320230 4.151142 -1.891685 ESP Fit Center 3681 is at 1.890480 4.176172 -1.891685 ESP Fit Center 3682 is at 1.466541 4.101420 -1.891685 ESP Fit Center 3683 is at 1.071270 3.930916 -1.891685 ESP Fit Center 3684 is at 0.725973 3.673853 -1.891685 ESP Fit Center 3685 is at 3.546098 2.325284 -2.173569 ESP Fit Center 3686 is at 3.488700 2.742880 -2.173569 ESP Fit Center 3687 is at 3.320766 3.129505 -2.173569 ESP Fit Center 3688 is at 3.054748 3.456484 -2.173569 ESP Fit Center 3689 is at 2.710378 3.699567 -2.173569 ESP Fit Center 3690 is at 2.313194 3.840726 -2.173569 ESP Fit Center 3691 is at 1.892655 3.869492 -2.173569 ESP Fit Center 3692 is at 1.479950 3.783731 -2.173569 ESP Fit Center 3693 is at 1.105687 3.589803 -2.173569 ESP Fit Center 3694 is at 0.797623 3.302092 -2.173569 ESP Fit Center 3695 is at 3.197669 2.325284 -2.401209 ESP Fit Center 3696 is at 3.125337 2.735499 -2.401209 ESP Fit Center 3697 is at 2.917066 3.096236 -2.401209 ESP Fit Center 3698 is at 2.597975 3.363984 -2.401209 ESP Fit Center 3699 is at 2.206553 3.506450 -2.401209 ESP Fit Center 3700 is at 1.790010 3.506450 -2.401209 ESP Fit Center 3701 is at 1.398588 3.363984 -2.401209 ESP Fit Center 3702 is at 1.079498 3.096236 -2.401209 ESP Fit Center 3703 is at 3.125337 1.915070 -2.401209 ESP Fit Center 3704 is at 2.816524 2.325284 -2.568394 ESP Fit Center 3705 is at 2.706901 2.734406 -2.568394 ESP Fit Center 3706 is at 2.407403 3.033903 -2.568394 ESP Fit Center 3707 is at 1.998282 3.143527 -2.568394 ESP Fit Center 3708 is at 1.589160 3.033903 -2.568394 ESP Fit Center 3709 is at 1.289663 2.734406 -2.568394 ESP Fit Center 3710 is at 2.407403 1.616665 -2.568394 ESP Fit Center 3711 is at 2.706901 1.916163 -2.568394 ESP Fit Center 3712 is at 2.413060 2.325284 -2.670565 ESP Fit Center 3713 is at 2.205671 2.684493 -2.670565 ESP Fit Center 3714 is at 1.790892 2.684493 -2.670565 ESP Fit Center 3715 is at 1.583503 2.325284 -2.670565 ESP Fit Center 3716 is at 2.205671 1.966076 -2.670565 ESP Fit Center 3717 is at 1.998282 2.325284 -2.704935 ESP Fit Center 3718 is at 0.893406 0.495508 2.441227 ESP Fit Center 3719 is at 0.781625 0.078335 2.441227 ESP Fit Center 3720 is at 2.338535 0.495508 -2.694478 ESP Fit Center 3721 is at 2.033143 0.800900 -2.694478 ESP Fit Center 3722 is at 0.893406 0.495508 -2.694478 ESP Fit Center 3723 is at 0.781625 0.078335 -2.694478 ESP Fit Center 3724 is at 0.893406 -0.338838 -2.694478 ESP Fit Center 3725 is at 2.038344 0.078335 -2.793384 ESP Fit Center 3726 is at 1.827157 0.444121 -2.793384 ESP Fit Center 3727 is at 1.404784 0.444121 -2.793384 ESP Fit Center 3728 is at 1.193597 0.078335 -2.793384 ESP Fit Center 3729 is at 1.404784 -0.287451 -2.793384 ESP Fit Center 3730 is at 1.827157 -0.287451 -2.793384 ESP Fit Center 3731 is at 1.615971 0.078335 -2.826625 ESP Fit Center 3732 is at 0.681448 -0.946649 2.629050 ESP Fit Center 3733 is at 0.892635 -0.580864 2.595809 ESP Fit Center 3734 is at 0.470262 -0.580864 2.595809 ESP Fit Center 3735 is at 0.259075 -0.946649 2.595809 ESP Fit Center 3736 is at 0.470262 -1.312435 2.595809 ESP Fit Center 3737 is at 0.892635 -1.312435 2.595809 ESP Fit Center 3738 is at 0.681448 -0.112304 2.496903 ESP Fit Center 3739 is at 0.264275 -0.224085 2.496903 ESP Fit Center 3740 is at 0.264275 -1.669214 2.496903 ESP Fit Center 3741 is at 0.681448 -1.780995 2.496903 ESP Fit Center 3742 is at 0.468595 0.260503 2.334768 ESP Fit Center 3743 is at 0.468595 -2.153801 2.334768 ESP Fit Center 3744 is at 0.894302 -2.153801 2.334768 ESP Fit Center 3745 is at 0.681448 -2.533670 2.113396 ESP Fit Center 3746 is at 1.092199 -2.479593 2.113396 ESP Fit Center 3747 is at 0.270697 -2.479593 -2.255295 ESP Fit Center 3748 is at 0.681448 -2.533670 -2.255295 ESP Fit Center 3749 is at 1.092199 -2.479593 -2.255295 ESP Fit Center 3750 is at 0.068561 -2.008201 -2.476667 ESP Fit Center 3751 is at 0.468595 -2.153801 -2.476667 ESP Fit Center 3752 is at 0.894302 -2.153801 -2.476667 ESP Fit Center 3753 is at 1.294336 -2.008201 -2.476667 ESP Fit Center 3754 is at 0.264275 -0.224085 -2.638802 ESP Fit Center 3755 is at -0.041116 -1.363822 -2.638802 ESP Fit Center 3756 is at 0.264275 -1.669214 -2.638802 ESP Fit Center 3757 is at 0.681448 -1.780995 -2.638802 ESP Fit Center 3758 is at 1.098621 -1.669214 -2.638802 ESP Fit Center 3759 is at 1.404013 -1.363822 -2.638802 ESP Fit Center 3760 is at 1.103821 -0.946649 -2.737708 ESP Fit Center 3761 is at 0.892635 -0.580864 -2.737708 ESP Fit Center 3762 is at 0.470262 -0.580864 -2.737708 ESP Fit Center 3763 is at 0.259075 -0.946649 -2.737708 ESP Fit Center 3764 is at 0.470262 -1.312435 -2.737708 ESP Fit Center 3765 is at 0.892635 -1.312435 -2.737708 ESP Fit Center 3766 is at 0.681448 -0.946649 -2.770950 ESP Fit Center 3767 is at -0.612973 -0.652802 2.670613 ESP Fit Center 3768 is at -0.190600 -0.652802 2.637371 ESP Fit Center 3769 is at -0.401787 -0.287016 2.637371 ESP Fit Center 3770 is at -0.824160 -0.287016 2.637371 ESP Fit Center 3771 is at -1.035346 -0.652802 2.637371 ESP Fit Center 3772 is at -0.824160 -1.018587 2.637371 ESP Fit Center 3773 is at -0.401787 -1.018587 2.637371 ESP Fit Center 3774 is at 0.109592 -0.235629 2.538465 ESP Fit Center 3775 is at -0.195800 0.069763 2.538465 ESP Fit Center 3776 is at -1.335538 -0.235629 2.538465 ESP Fit Center 3777 is at -1.447319 -0.652802 2.538465 ESP Fit Center 3778 is at -0.195800 -1.375366 2.538465 ESP Fit Center 3779 is at -1.764824 -0.233562 2.376330 ESP Fit Center 3780 is at -1.838747 -0.652802 -2.435105 ESP Fit Center 3781 is at -0.195800 0.069763 -2.597240 ESP Fit Center 3782 is at -1.335538 -0.235629 -2.597240 ESP Fit Center 3783 is at -1.447319 -0.652802 -2.597240 ESP Fit Center 3784 is at -1.335538 -1.069974 -2.597240 ESP Fit Center 3785 is at -0.612973 -1.487147 -2.597240 ESP Fit Center 3786 is at -0.195800 -1.375366 -2.597240 ESP Fit Center 3787 is at -0.190600 -0.652802 -2.696146 ESP Fit Center 3788 is at -0.401787 -0.287016 -2.696146 ESP Fit Center 3789 is at -0.824160 -0.287016 -2.696146 ESP Fit Center 3790 is at -1.035346 -0.652802 -2.696146 ESP Fit Center 3791 is at -0.824160 -1.018587 -2.696146 ESP Fit Center 3792 is at -0.401787 -1.018587 -2.696146 ESP Fit Center 3793 is at -0.612973 -0.652802 -2.729387 ESP Fit Center 3794 is at 4.638082 2.049961 0.572001 ESP Fit Center 3795 is at 5.388654 1.421043 0.198565 ESP Fit Center 3796 is at 5.180059 1.782340 0.198565 ESP Fit Center 3797 is at 4.900904 2.092373 0.198565 ESP Fit Center 3798 is at 4.563391 2.337591 0.198565 ESP Fit Center 3799 is at 5.684097 0.609368 -0.206636 ESP Fit Center 3800 is at 5.643391 1.022666 -0.206636 ESP Fit Center 3801 is at 5.522836 1.420081 -0.206636 ESP Fit Center 3802 is at 5.327066 1.786341 -0.206636 ESP Fit Center 3803 is at 5.063604 2.107371 -0.206636 ESP Fit Center 3804 is at 4.742574 2.370833 -0.206636 ESP Fit Center 3805 is at 5.725601 0.609368 -0.628031 ESP Fit Center 3806 is at 5.686567 1.018151 -0.628031 ESP Fit Center 3807 is at 5.570875 1.412159 -0.628031 ESP Fit Center 3808 is at 5.382708 1.777152 -0.628031 ESP Fit Center 3809 is at 5.128866 2.099938 -0.628031 ESP Fit Center 3810 is at 4.818524 2.368852 -0.628031 ESP Fit Center 3811 is at 5.686567 0.200585 -0.628031 ESP Fit Center 3812 is at 5.684097 0.609368 -1.049426 ESP Fit Center 3813 is at 5.643391 1.022666 -1.049426 ESP Fit Center 3814 is at 5.522836 1.420081 -1.049426 ESP Fit Center 3815 is at 5.327066 1.786341 -1.049426 ESP Fit Center 3816 is at 5.063604 2.107371 -1.049426 ESP Fit Center 3817 is at 4.742574 2.370833 -1.049426 ESP Fit Center 3818 is at 4.376314 2.566603 -1.049426 ESP Fit Center 3819 is at 5.643391 0.196070 -1.049426 ESP Fit Center 3820 is at 5.561181 0.609368 -1.454627 ESP Fit Center 3821 is at 5.517572 1.024272 -1.454627 ESP Fit Center 3822 is at 5.388654 1.421043 -1.454627 ESP Fit Center 3823 is at 5.180059 1.782340 -1.454627 ESP Fit Center 3824 is at 4.900904 2.092373 -1.454627 ESP Fit Center 3825 is at 4.563391 2.337591 -1.454627 ESP Fit Center 3826 is at 4.182269 2.507277 -1.454627 ESP Fit Center 3827 is at 5.517572 0.194463 -1.454627 ESP Fit Center 3828 is at 5.361575 0.609368 -1.828063 ESP Fit Center 3829 is at 5.313164 1.023548 -1.828063 ESP Fit Center 3830 is at 5.170542 1.415400 -1.828063 ESP Fit Center 3831 is at 4.941397 1.763798 -1.828063 ESP Fit Center 3832 is at 4.638082 2.049961 -1.828063 ESP Fit Center 3833 is at 4.276950 2.258460 -1.828063 ESP Fit Center 3834 is at 5.313164 0.195188 -1.828063 ESP Fit Center 3835 is at 5.092951 0.609368 -2.155382 ESP Fit Center 3836 is at 5.036313 1.021442 -2.155382 ESP Fit Center 3837 is at 4.870599 1.402955 -2.155382 ESP Fit Center 3838 is at 4.608099 1.725611 -2.155382 ESP Fit Center 3839 is at 4.268281 1.965480 -2.155382 ESP Fit Center 3840 is at 3.876349 2.104773 -2.155382 ESP Fit Center 3841 is at 5.036313 0.197294 -2.155382 ESP Fit Center 3842 is at 4.765632 0.609368 -2.424005 ESP Fit Center 3843 is at 4.693262 1.019803 -2.424005 ESP Fit Center 3844 is at 4.484878 1.380733 -2.424005 ESP Fit Center 3845 is at 4.165617 1.648626 -2.424005 ESP Fit Center 3846 is at 3.773984 1.791168 -2.424005 ESP Fit Center 3847 is at 3.357217 1.791168 -2.424005 ESP Fit Center 3848 is at 2.965585 1.648626 -2.424005 ESP Fit Center 3849 is at 4.693262 0.198933 -2.424005 ESP Fit Center 3850 is at 4.392197 0.609368 -2.623611 ESP Fit Center 3851 is at 4.281454 1.022666 -2.623611 ESP Fit Center 3852 is at 3.978899 1.325221 -2.623611 ESP Fit Center 3853 is at 3.565601 1.435964 -2.623611 ESP Fit Center 3854 is at 3.152303 1.325221 -2.623611 ESP Fit Center 3855 is at 2.849747 1.022666 -2.623611 ESP Fit Center 3856 is at 4.281454 0.196070 -2.623611 ESP Fit Center 3857 is at 3.986996 0.609368 -2.746527 ESP Fit Center 3858 is at 3.776298 0.974307 -2.746527 ESP Fit Center 3859 is at 3.354903 0.974307 -2.746527 ESP Fit Center 3860 is at 3.144206 0.609368 -2.746527 ESP Fit Center 3861 is at 3.776298 0.244429 -2.746527 ESP Fit Center 3862 is at 3.565601 0.609368 -2.788031 ESP Fit Center 3863 is at 5.419642 -0.654861 3.244796 ESP Fit Center 3864 is at 5.308900 -1.068159 3.244796 ESP Fit Center 3865 is at 5.793078 -0.654861 3.045191 ESP Fit Center 3866 is at 5.720707 -0.244426 3.045191 ESP Fit Center 3867 is at 5.512324 0.116505 3.045191 ESP Fit Center 3868 is at 5.193062 -1.694119 3.045191 ESP Fit Center 3869 is at 5.512324 -1.426226 3.045191 ESP Fit Center 3870 is at 5.720707 -1.065296 3.045191 ESP Fit Center 3871 is at 6.120397 -0.654861 2.776567 ESP Fit Center 3872 is at 6.063759 -0.242787 2.776567 ESP Fit Center 3873 is at 5.898044 0.138726 2.776567 ESP Fit Center 3874 is at 5.635544 0.461382 2.776567 ESP Fit Center 3875 is at 5.295727 -2.010973 2.776567 ESP Fit Center 3876 is at 5.635544 -1.771104 2.776567 ESP Fit Center 3877 is at 5.898044 -1.448448 2.776567 ESP Fit Center 3878 is at 6.063759 -1.066935 2.776567 ESP Fit Center 3879 is at 6.389021 -0.654861 2.449248 ESP Fit Center 3880 is at 6.340610 -0.240681 2.449248 ESP Fit Center 3881 is at 6.197988 0.151171 2.449248 ESP Fit Center 3882 is at 5.968842 0.499569 2.449248 ESP Fit Center 3883 is at 5.665528 0.785732 2.449248 ESP Fit Center 3884 is at 4.904914 -2.423550 2.449248 ESP Fit Center 3885 is at 5.304395 -2.303953 2.449248 ESP Fit Center 3886 is at 5.665528 -2.095454 2.449248 ESP Fit Center 3887 is at 5.968842 -1.809291 2.449248 ESP Fit Center 3888 is at 6.197988 -1.460893 2.449248 ESP Fit Center 3889 is at 6.340610 -1.069041 2.449248 ESP Fit Center 3890 is at 6.588626 -0.654861 2.075813 ESP Fit Center 3891 is at 6.545018 -0.239956 2.075813 ESP Fit Center 3892 is at 6.416099 0.156815 2.075813 ESP Fit Center 3893 is at 6.207504 0.518112 2.075813 ESP Fit Center 3894 is at 5.928350 0.828144 2.075813 ESP Fit Center 3895 is at 5.209714 -2.552770 2.075813 ESP Fit Center 3896 is at 5.590836 -2.383084 2.075813 ESP Fit Center 3897 is at 5.928350 -2.137866 2.075813 ESP Fit Center 3898 is at 6.207504 -1.827833 2.075813 ESP Fit Center 3899 is at 6.416099 -1.466536 2.075813 ESP Fit Center 3900 is at 6.545018 -1.069765 2.075813 ESP Fit Center 3901 is at 6.711542 -0.654861 1.670612 ESP Fit Center 3902 is at 6.670836 -0.241563 1.670612 ESP Fit Center 3903 is at 6.550282 0.155853 1.670612 ESP Fit Center 3904 is at 6.354511 0.522113 1.670612 ESP Fit Center 3905 is at 6.091049 0.843142 1.670612 ESP Fit Center 3906 is at 5.770020 1.106604 1.670612 ESP Fit Center 3907 is at 5.006344 -2.732651 1.670612 ESP Fit Center 3908 is at 5.403760 -2.612096 1.670612 ESP Fit Center 3909 is at 5.770020 -2.416326 1.670612 ESP Fit Center 3910 is at 6.091049 -2.152864 1.670612 ESP Fit Center 3911 is at 6.354511 -1.831834 1.670612 ESP Fit Center 3912 is at 6.550282 -1.465574 1.670612 ESP Fit Center 3913 is at 6.670836 -1.068159 1.670612 ESP Fit Center 3914 is at 6.753046 -0.654861 1.249217 ESP Fit Center 3915 is at 6.714012 -0.246078 1.249217 ESP Fit Center 3916 is at 6.598321 0.147930 1.249217 ESP Fit Center 3917 is at 6.410154 0.512923 1.249217 ESP Fit Center 3918 is at 6.156312 0.835710 1.249217 ESP Fit Center 3919 is at 5.845969 1.104623 1.249217 ESP Fit Center 3920 is at 5.102286 -2.753974 1.249217 ESP Fit Center 3921 is at 5.490343 -2.619666 1.249217 ESP Fit Center 3922 is at 5.845969 -2.414345 1.249217 ESP Fit Center 3923 is at 6.156312 -2.145432 1.249217 ESP Fit Center 3924 is at 6.410154 -1.822645 1.249217 ESP Fit Center 3925 is at 6.598321 -1.457652 1.249217 ESP Fit Center 3926 is at 6.714012 -1.063644 1.249217 ESP Fit Center 3927 is at 6.711542 -0.654861 0.827822 ESP Fit Center 3928 is at 6.670836 -0.241563 0.827822 ESP Fit Center 3929 is at 6.550282 0.155853 0.827822 ESP Fit Center 3930 is at 6.354511 0.522113 0.827822 ESP Fit Center 3931 is at 6.091049 0.843142 0.827822 ESP Fit Center 3932 is at 5.770020 1.106604 0.827822 ESP Fit Center 3933 is at 5.006344 -2.732651 0.827822 ESP Fit Center 3934 is at 5.403760 -2.612096 0.827822 ESP Fit Center 3935 is at 5.770020 -2.416326 0.827822 ESP Fit Center 3936 is at 6.091049 -2.152864 0.827822 ESP Fit Center 3937 is at 6.354511 -1.831834 0.827822 ESP Fit Center 3938 is at 6.550282 -1.465574 0.827822 ESP Fit Center 3939 is at 6.670836 -1.068159 0.827822 ESP Fit Center 3940 is at 6.588626 -0.654861 0.422620 ESP Fit Center 3941 is at 6.545018 -0.239956 0.422620 ESP Fit Center 3942 is at 6.416099 0.156815 0.422620 ESP Fit Center 3943 is at 6.207504 0.518112 0.422620 ESP Fit Center 3944 is at 5.928350 0.828144 0.422620 ESP Fit Center 3945 is at 5.928350 -2.137866 0.422620 ESP Fit Center 3946 is at 6.207504 -1.827833 0.422620 ESP Fit Center 3947 is at 6.416099 -1.466536 0.422620 ESP Fit Center 3948 is at 6.545018 -1.069765 0.422620 ESP Fit Center 3949 is at 6.389021 -0.654861 0.049185 ESP Fit Center 3950 is at 6.340610 -0.240681 0.049185 ESP Fit Center 3951 is at 6.197988 0.151171 0.049185 ESP Fit Center 3952 is at 5.968842 0.499569 0.049185 ESP Fit Center 3953 is at 5.665528 0.785732 0.049185 ESP Fit Center 3954 is at 6.197988 -1.460893 0.049185 ESP Fit Center 3955 is at 6.340610 -1.069041 0.049185 ESP Fit Center 3956 is at 6.120397 -0.654861 -0.278134 ESP Fit Center 3957 is at 6.063759 -0.242787 -0.278134 ESP Fit Center 3958 is at 5.898044 0.138726 -0.278134 ESP Fit Center 3959 is at 3.356292 0.505290 4.002181 ESP Fit Center 3960 is at 3.777687 0.505290 3.960677 ESP Fit Center 3961 is at 3.566990 0.870229 3.960677 ESP Fit Center 3962 is at 3.145595 0.870229 3.960677 ESP Fit Center 3963 is at 2.934897 0.505290 3.960677 ESP Fit Center 3964 is at 3.145595 0.140351 3.960677 ESP Fit Center 3965 is at 3.566990 0.140351 3.960677 ESP Fit Center 3966 is at 4.182888 0.505290 3.837761 ESP Fit Center 3967 is at 4.072145 0.918588 3.837761 ESP Fit Center 3968 is at 3.769590 1.221143 3.837761 ESP Fit Center 3969 is at 3.356292 1.331886 3.837761 ESP Fit Center 3970 is at 2.942994 1.221143 3.837761 ESP Fit Center 3971 is at 2.640439 0.918588 3.837761 ESP Fit Center 3972 is at 2.529696 0.505290 3.837761 ESP Fit Center 3973 is at 2.640439 0.091992 3.837761 ESP Fit Center 3974 is at 4.556324 0.505290 3.638155 ESP Fit Center 3975 is at 4.483953 0.915725 3.638155 ESP Fit Center 3976 is at 4.275570 1.276656 3.638155 ESP Fit Center 3977 is at 3.956308 1.544548 3.638155 ESP Fit Center 3978 is at 3.564675 1.687091 3.638155 ESP Fit Center 3979 is at 3.147909 1.687091 3.638155 ESP Fit Center 3980 is at 2.756276 1.544548 3.638155 ESP Fit Center 3981 is at 2.437014 1.276656 3.638155 ESP Fit Center 3982 is at 2.228631 0.915725 3.638155 ESP Fit Center 3983 is at 2.156260 0.505290 3.638155 ESP Fit Center 3984 is at 2.228631 0.094855 3.638155 ESP Fit Center 3985 is at 4.827004 0.917364 3.369532 ESP Fit Center 3986 is at 4.661290 1.298877 3.369532 ESP Fit Center 3987 is at 4.398790 1.621533 3.369532 ESP Fit Center 3988 is at 4.058973 1.861402 3.369532 ESP Fit Center 3989 is at 3.667041 2.000695 3.369532 ESP Fit Center 3990 is at 3.252062 2.029080 3.369532 ESP Fit Center 3991 is at 2.844813 1.944453 3.369532 ESP Fit Center 3992 is at 2.475499 1.753090 3.369532 ESP Fit Center 3993 is at 2.171509 1.469183 3.369532 ESP Fit Center 3994 is at 1.955389 1.113788 3.369532 ESP Fit Center 3995 is at 1.843167 0.713264 3.369532 ESP Fit Center 3996 is at 1.843167 0.297316 3.369532 ESP Fit Center 3997 is at 5.103856 0.919470 3.042213 ESP Fit Center 3998 is at 4.961233 1.311322 3.042213 ESP Fit Center 3999 is at 4.732088 1.659720 3.042213 ESP Fit Center 4000 is at 4.428774 1.945883 3.042213 ESP Fit Center 4001 is at 4.067641 2.154383 3.042213 ESP Fit Center 4002 is at 3.668160 2.273980 3.042213 ESP Fit Center 4003 is at 3.251865 2.298226 3.042213 ESP Fit Center 4004 is at 2.841201 2.225815 3.042213 ESP Fit Center 4005 is at 2.458305 2.060650 3.042213 ESP Fit Center 4006 is at 2.123820 1.811635 3.042213 ESP Fit Center 4007 is at 1.855777 1.492194 3.042213 ESP Fit Center 4008 is at 1.668628 1.119550 3.042213 ESP Fit Center 4009 is at 1.572461 0.713790 3.042213 ESP Fit Center 4010 is at 1.572461 0.296790 3.042213 ESP Fit Center 4011 is at 5.179345 1.316966 2.668777 ESP Fit Center 4012 is at 4.970750 1.678263 2.668777 ESP Fit Center 4013 is at 4.691596 1.988295 2.668777 ESP Fit Center 4014 is at 4.354082 2.233513 2.668777 ESP Fit Center 4015 is at 3.972960 2.403199 2.668777 ESP Fit Center 4016 is at 3.564887 2.489938 2.668777 ESP Fit Center 4017 is at 3.147697 2.489938 2.668777 ESP Fit Center 4018 is at 2.739624 2.403199 2.668777 ESP Fit Center 4019 is at 2.358502 2.233513 2.668777 ESP Fit Center 4020 is at 2.020989 1.988295 2.668777 ESP Fit Center 4021 is at 1.741834 1.678263 2.668777 ESP Fit Center 4022 is at 1.533239 1.316966 2.668777 ESP Fit Center 4023 is at 1.404320 0.920195 2.668777 ESP Fit Center 4024 is at 1.360712 0.505290 2.668777 ESP Fit Center 4025 is at 5.117757 1.682264 2.263576 ESP Fit Center 4026 is at 4.854295 2.003293 2.263576 ESP Fit Center 4027 is at 4.533265 2.266755 2.263576 ESP Fit Center 4028 is at 4.167005 2.462525 2.263576 ESP Fit Center 4029 is at 3.769590 2.583080 2.263576 ESP Fit Center 4030 is at 3.356292 2.623786 2.263576 ESP Fit Center 4031 is at 2.942994 2.583080 2.263576 ESP Fit Center 4032 is at 5.173400 1.673074 1.842181 ESP Fit Center 4033 is at 4.919558 1.995861 1.842181 ESP Fit Center 4034 is at 4.609215 2.264774 1.842181 ESP Fit Center 4035 is at 4.253588 2.470095 1.842181 ESP Fit Center 4036 is at 3.865531 2.604403 1.842181 ESP Fit Center 4037 is at 3.459069 2.662844 1.842181 ESP Fit Center 4038 is at 4.854295 2.003293 1.420786 ESP Fit Center 4039 is at 4.533265 2.266755 1.420786 ESP Fit Center 4040 is at 4.167005 2.462525 1.420786 ESP Fit Center 4041 is at 4.354082 2.233513 1.015585 ESP Fit Center 4042 is at -3.332407 0.003437 2.757171 ESP Fit Center 4043 is at -2.910034 0.003437 2.723930 ESP Fit Center 4044 is at -3.121221 0.369223 2.723930 ESP Fit Center 4045 is at -3.543594 0.369223 2.723930 ESP Fit Center 4046 is at -3.754780 0.003437 2.723930 ESP Fit Center 4047 is at -3.543594 -0.362349 2.723930 ESP Fit Center 4048 is at -3.121221 -0.362349 2.723930 ESP Fit Center 4049 is at -2.498061 0.003437 2.625024 ESP Fit Center 4050 is at -2.609843 0.420610 2.625024 ESP Fit Center 4051 is at -3.332407 0.837783 2.625024 ESP Fit Center 4052 is at -3.749580 0.726002 2.625024 ESP Fit Center 4053 is at -4.054972 0.420610 2.625024 ESP Fit Center 4054 is at -4.166753 0.003437 2.625024 ESP Fit Center 4055 is at -4.054972 -0.413736 2.625024 ESP Fit Center 4056 is at -3.749580 -0.719128 2.625024 ESP Fit Center 4057 is at -3.332407 -0.830909 2.625024 ESP Fit Center 4058 is at -2.915234 -0.719128 2.625024 ESP Fit Center 4059 is at -2.609843 -0.413736 2.625024 ESP Fit Center 4060 is at -3.545261 1.210589 2.462889 ESP Fit Center 4061 is at -3.945294 1.064989 2.462889 ESP Fit Center 4062 is at -4.271405 -0.784475 2.462889 ESP Fit Center 4063 is at -3.945294 -1.058115 2.462889 ESP Fit Center 4064 is at -2.180556 -0.415802 2.462889 ESP Fit Center 4065 is at -4.454600 -1.118756 2.241517 ESP Fit Center 4066 is at -4.454600 -1.118756 -2.127174 ESP Fit Center 4067 is at -3.945294 1.064989 -2.348546 ESP Fit Center 4068 is at -4.484258 -0.415802 -2.348546 ESP Fit Center 4069 is at -4.271405 -0.784475 -2.348546 ESP Fit Center 4070 is at -3.945294 -1.058115 -2.348546 ESP Fit Center 4071 is at -2.180556 -0.415802 -2.348546 ESP Fit Center 4072 is at -2.498061 0.003437 -2.510681 ESP Fit Center 4073 is at -3.749580 0.726002 -2.510681 ESP Fit Center 4074 is at -4.054972 0.420610 -2.510681 ESP Fit Center 4075 is at -4.166753 0.003437 -2.510681 ESP Fit Center 4076 is at -4.054972 -0.413736 -2.510681 ESP Fit Center 4077 is at -3.749580 -0.719128 -2.510681 ESP Fit Center 4078 is at -3.332407 -0.830909 -2.510681 ESP Fit Center 4079 is at -2.915234 -0.719128 -2.510681 ESP Fit Center 4080 is at -2.609843 -0.413736 -2.510681 ESP Fit Center 4081 is at -2.910034 0.003437 -2.609587 ESP Fit Center 4082 is at -3.121221 0.369223 -2.609587 ESP Fit Center 4083 is at -3.543594 0.369223 -2.609587 ESP Fit Center 4084 is at -3.754780 0.003437 -2.609587 ESP Fit Center 4085 is at -3.543594 -0.362349 -2.609587 ESP Fit Center 4086 is at -3.121221 -0.362349 -2.609587 ESP Fit Center 4087 is at -3.332407 0.003437 -2.642829 ESP Fit Center 4088 is at -2.477038 3.157424 1.789373 ESP Fit Center 4089 is at -2.893805 3.157424 1.789373 ESP Fit Center 4090 is at -3.285437 3.014882 1.789373 ESP Fit Center 4091 is at -3.604699 2.746989 1.789373 ESP Fit Center 4092 is at -1.982741 3.331736 1.520749 ESP Fit Center 4093 is at -2.374673 3.471028 1.520749 ESP Fit Center 4094 is at -2.789652 3.499414 1.520749 ESP Fit Center 4095 is at -3.196900 3.414787 1.520749 ESP Fit Center 4096 is at -3.566215 3.223423 1.520749 ESP Fit Center 4097 is at -3.870205 2.939516 1.520749 ESP Fit Center 4098 is at -4.086325 2.584122 1.520749 ESP Fit Center 4099 is at -1.974072 3.624716 1.193431 ESP Fit Center 4100 is at -2.373554 3.744313 1.193431 ESP Fit Center 4101 is at -2.789848 3.768560 1.193431 ESP Fit Center 4102 is at -3.200513 3.696148 1.193431 ESP Fit Center 4103 is at -3.583409 3.530983 1.193431 ESP Fit Center 4104 is at -3.917894 3.281968 1.193431 ESP Fit Center 4105 is at -4.185936 2.962528 1.193431 ESP Fit Center 4106 is at -4.373085 2.589883 1.193431 ESP Fit Center 4107 is at -2.068753 3.873533 0.819995 ESP Fit Center 4108 is at -2.476827 3.960271 0.819995 ESP Fit Center 4109 is at -2.894016 3.960271 0.819995 ESP Fit Center 4110 is at -3.302090 3.873533 0.819995 ESP Fit Center 4111 is at -3.683211 3.703846 0.819995 ESP Fit Center 4112 is at -4.020725 3.458628 0.819995 ESP Fit Center 4113 is at -4.299880 3.148596 0.819995 ESP Fit Center 4114 is at -4.508474 2.787299 0.819995 ESP Fit Center 4115 is at -1.874708 3.932859 0.414794 ESP Fit Center 4116 is at -2.272123 4.053414 0.414794 ESP Fit Center 4117 is at -2.685422 4.094120 0.414794 ESP Fit Center 4118 is at -3.098720 4.053414 0.414794 ESP Fit Center 4119 is at -3.496135 3.932859 0.414794 ESP Fit Center 4120 is at -3.862395 3.737089 0.414794 ESP Fit Center 4121 is at -4.183425 3.473627 0.414794 ESP Fit Center 4122 is at -4.446887 3.152597 0.414794 ESP Fit Center 4123 is at -1.788125 3.940429 -0.006601 ESP Fit Center 4124 is at -2.176182 4.074737 -0.006601 ESP Fit Center 4125 is at -2.582645 4.133177 -0.006601 ESP Fit Center 4126 is at -2.992822 4.113638 -0.006601 ESP Fit Center 4127 is at -3.391888 4.016825 -0.006601 ESP Fit Center 4128 is at -3.765422 3.846239 -0.006601 ESP Fit Center 4129 is at -4.099921 3.608043 -0.006601 ESP Fit Center 4130 is at -4.383296 3.310847 -0.006601 ESP Fit Center 4131 is at -4.605306 2.965393 -0.006601 ESP Fit Center 4132 is at -1.874708 3.932859 -0.427996 ESP Fit Center 4133 is at -2.272123 4.053414 -0.427996 ESP Fit Center 4134 is at -2.685422 4.094120 -0.427996 ESP Fit Center 4135 is at -3.098720 4.053414 -0.427996 ESP Fit Center 4136 is at -3.496135 3.932859 -0.427996 ESP Fit Center 4137 is at -3.862395 3.737089 -0.427996 ESP Fit Center 4138 is at -4.183425 3.473627 -0.427996 ESP Fit Center 4139 is at -4.446887 3.152597 -0.427996 ESP Fit Center 4140 is at -4.642657 2.786337 -0.427996 ESP Fit Center 4141 is at -2.068753 3.873533 -0.833197 ESP Fit Center 4142 is at -2.476827 3.960271 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ESP Fit Center 4161 is at -3.566215 3.223423 -1.533952 ESP Fit Center 4162 is at -3.870205 2.939516 -1.533952 ESP Fit Center 4163 is at -4.086325 2.584122 -1.533952 ESP Fit Center 4164 is at -2.085406 3.014882 -1.802576 ESP Fit Center 4165 is at -2.477038 3.157424 -1.802576 ESP Fit Center 4166 is at -2.893805 3.157424 -1.802576 ESP Fit Center 4167 is at -3.285437 3.014882 -1.802576 ESP Fit Center 4168 is at -3.604699 2.746989 -1.802576 ESP Fit Center 4169 is at 0.998455 -2.785853 1.934356 ESP Fit Center 4170 is at 0.790071 -3.141057 1.734751 ESP Fit Center 4171 is at 1.206838 -3.141057 1.734751 ESP Fit Center 4172 is at 1.598471 -2.998515 1.734751 ESP Fit Center 4173 is at 0.486976 -3.398419 1.466127 ESP Fit Center 4174 is at 0.894225 -3.483047 1.466127 ESP Fit Center 4175 is at 1.309203 -3.454661 1.466127 ESP Fit Center 4176 is at 1.701135 -3.315369 1.466127 ESP Fit Center 4177 is at 0.483363 -3.679781 1.138808 ESP Fit Center 4178 is at 0.894028 -3.752192 1.138808 ESP Fit Center 4179 is at 1.310322 -3.727946 1.138808 ESP Fit Center 4180 is at 1.709804 -3.608349 1.138808 ESP Fit Center 4181 is at 2.070936 -3.399849 1.138808 ESP Fit Center 4182 is at 0.381787 -3.857166 0.765373 ESP Fit Center 4183 is at 0.789860 -3.943904 0.765373 ESP Fit Center 4184 is at 1.207050 -3.943904 0.765373 ESP Fit Center 4185 is at 1.615123 -3.857166 0.765373 ESP Fit Center 4186 is at 1.996245 -3.687479 0.765373 ESP Fit Center 4187 is at 2.333758 -3.442261 0.765373 ESP Fit Center 4188 is at 0.187741 -3.916492 0.360172 ESP Fit Center 4189 is at 0.585157 -4.037047 0.360172 ESP Fit Center 4190 is at 0.998455 -4.077753 0.360172 ESP Fit Center 4191 is at 1.411753 -4.037047 0.360172 ESP Fit Center 4192 is at 1.809168 -3.916492 0.360172 ESP Fit Center 4193 is at 2.175428 -3.720722 0.360172 ESP Fit Center 4194 is at 0.291988 -4.000458 -0.061224 ESP Fit Center 4195 is at 0.691055 -4.097271 -0.061224 ESP Fit Center 4196 is at 1.101232 -4.116810 -0.061224 ESP Fit Center 4197 is at 1.507694 -4.058370 -0.061224 ESP Fit Center 4198 is at 1.895751 -3.924062 -0.061224 ESP Fit Center 4199 is at 2.251378 -3.718741 -0.061224 ESP Fit Center 4200 is at 0.187741 -3.916492 -0.482619 ESP Fit Center 4201 is at 0.585157 -4.037047 -0.482619 ESP Fit Center 4202 is at 0.998455 -4.077753 -0.482619 ESP Fit Center 4203 is at 1.411753 -4.037047 -0.482619 ESP Fit Center 4204 is at 1.809168 -3.916492 -0.482619 ESP Fit Center 4205 is at 2.175428 -3.720722 -0.482619 ESP Fit Center 4206 is at 0.381787 -3.857166 -0.887820 ESP Fit Center 4207 is at 0.789860 -3.943904 -0.887820 ESP Fit Center 4208 is at 1.207050 -3.943904 -0.887820 ESP Fit Center 4209 is at 1.615123 -3.857166 -0.887820 ESP Fit Center 4210 is at 1.996245 -3.687479 -0.887820 ESP Fit Center 4211 is at 0.483363 -3.679781 -1.261255 ESP Fit Center 4212 is at 0.894028 -3.752192 -1.261255 ESP Fit Center 4213 is at 1.310322 -3.727946 -1.261255 ESP Fit Center 4214 is at 1.709804 -3.608349 -1.261255 ESP Fit Center 4215 is at 0.486976 -3.398419 -1.588574 ESP Fit Center 4216 is at 0.894225 -3.483047 -1.588574 ESP Fit Center 4217 is at 1.309203 -3.454661 -1.588574 ESP Fit Center 4218 is at 1.701135 -3.315369 -1.588574 ESP Fit Center 4219 is at 0.398439 -2.998515 -1.857198 ESP Fit Center 4220 is at 0.790071 -3.141057 -1.857198 ESP Fit Center 4221 is at 1.206838 -3.141057 -1.857198 ESP Fit Center 4222 is at 0.998455 -2.785853 -2.056803 ESP Fit Center 4223 is at -1.203211 -1.035939 2.598819 ESP Fit Center 4224 is at -1.620384 -0.924158 2.598819 ESP Fit Center 4225 is at -2.037557 -1.035939 2.598819 ESP Fit Center 4226 is at -2.342948 -1.341331 2.598819 ESP Fit Center 4227 is at -1.833237 -0.551352 2.436684 ESP Fit Center 4228 is at -2.233271 -0.696952 2.436684 ESP Fit Center 4229 is at -3.166749 -3.601391 1.256741 ESP Fit Center 4230 is at -3.024866 -3.908224 0.865313 ESP Fit Center 4231 is at -3.187865 -3.915957 0.453340 ESP Fit Center 4232 is at -2.831067 -4.134603 0.453340 ESP Fit Center 4233 is at -2.444457 -4.294742 0.453340 ESP Fit Center 4234 is at -3.088016 -4.024791 0.030967 ESP Fit Center 4235 is at -2.724869 -4.222264 0.030967 ESP Fit Center 4236 is at -2.335834 -4.361989 0.030967 ESP Fit Center 4237 is at -1.930029 -4.440690 0.030967 ESP Fit Center 4238 is at -1.516966 -4.456523 0.030967 ESP Fit Center 4239 is at -1.106328 -4.409117 0.030967 ESP Fit Center 4240 is at -0.707738 -4.299582 0.030967 ESP Fit Center 4241 is at -0.330540 -4.130487 0.030967 ESP Fit Center 4242 is at 0.016425 -3.905795 0.030967 ESP Fit Center 4243 is at -3.187865 -3.915957 -0.391406 ESP Fit Center 4244 is at -2.831067 -4.134603 -0.391406 ESP Fit Center 4245 is at -2.233271 -0.696952 -2.374751 ESP Fit Center 4246 is at -1.620384 -0.924158 -2.536886 ESP Fit Center 4247 is at -2.037557 -1.035939 -2.536886 ESP Fit Center 4248 is at -2.342948 -1.341331 -2.536886 ESP Fit Center 4249 is at 2.970663 -1.246083 3.901032 ESP Fit Center 4250 is at 3.392058 -1.246083 3.859528 ESP Fit Center 4251 is at 2.759965 -0.881144 3.859528 ESP Fit Center 4252 is at 2.549267 -1.246083 3.859528 ESP Fit Center 4253 is at 2.759965 -1.611022 3.859528 ESP Fit Center 4254 is at 3.181360 -1.611022 3.859528 ESP Fit Center 4255 is at 2.254809 -0.832785 3.736611 ESP Fit Center 4256 is at 2.144066 -1.246083 3.736611 ESP Fit Center 4257 is at 2.254809 -1.659381 3.736611 ESP Fit Center 4258 is at 2.557364 -1.961936 3.736611 ESP Fit Center 4259 is at 2.970663 -2.072679 3.736611 ESP Fit Center 4260 is at 3.383961 -1.961936 3.736611 ESP Fit Center 4261 is at 3.686516 -1.659381 3.736611 ESP Fit Center 4262 is at 2.051385 -0.474717 3.537006 ESP Fit Center 4263 is at 1.843002 -0.835648 3.537006 ESP Fit Center 4264 is at 1.770631 -1.246083 3.537006 ESP Fit Center 4265 is at 1.843002 -1.656518 3.537006 ESP Fit Center 4266 is at 2.051385 -2.017448 3.537006 ESP Fit Center 4267 is at 2.370647 -2.285341 3.537006 ESP Fit Center 4268 is at 2.762279 -2.427883 3.537006 ESP Fit Center 4269 is at 3.179046 -2.427883 3.537006 ESP Fit Center 4270 is at 3.570678 -2.285341 3.537006 ESP Fit Center 4271 is at 3.889940 -2.017448 3.537006 ESP Fit Center 4272 is at 1.569759 -0.637584 3.268382 ESP Fit Center 4273 is at 1.457538 -1.038108 3.268382 ESP Fit Center 4274 is at 1.457538 -1.454057 3.268382 ESP Fit Center 4275 is at 1.569759 -1.854581 3.268382 ESP Fit Center 4276 is at 1.785879 -2.209975 3.268382 ESP Fit Center 4277 is at 2.089869 -2.493882 3.268382 ESP Fit Center 4278 is at 2.459184 -2.685245 3.268382 ESP Fit Center 4279 is at 2.866432 -2.769873 3.268382 ESP Fit Center 4280 is at 3.281411 -2.741487 3.268382 ESP Fit Center 4281 is at 3.673343 -2.602195 3.268382 ESP Fit Center 4282 is at 4.013161 -2.362325 3.268382 ESP Fit Center 4283 is at 1.282999 -0.631823 2.941063 ESP Fit Center 4284 is at 1.186832 -1.037583 2.941063 ESP Fit Center 4285 is at 1.186832 -1.454583 2.941063 ESP Fit Center 4286 is at 1.282999 -1.860342 2.941063 ESP Fit Center 4287 is at 1.470148 -2.232987 2.941063 ESP Fit Center 4288 is at 1.738190 -2.552427 2.941063 ESP Fit Center 4289 is at 2.072675 -2.801442 2.941063 ESP Fit Center 4290 is at 2.455571 -2.966607 2.941063 ESP Fit Center 4291 is at 2.866236 -3.039019 2.941063 ESP Fit Center 4292 is at 3.282530 -3.014772 2.941063 ESP Fit Center 4293 is at 3.682012 -2.895175 2.941063 ESP Fit Center 4294 is at 4.043144 -2.686675 2.941063 ESP Fit Center 4295 is at 4.346459 -2.400513 2.941063 ESP Fit Center 4296 is at 1.147610 -0.434407 2.567628 ESP Fit Center 4297 is at 1.018691 -1.660987 2.567628 ESP Fit Center 4298 is at 1.147610 -2.057758 2.567628 ESP Fit Center 4299 is at 1.356205 -2.419055 2.567628 ESP Fit Center 4300 is at 1.635359 -2.729087 2.567628 ESP Fit Center 4301 is at 1.972873 -2.974305 2.567628 ESP Fit Center 4302 is at 2.353994 -3.143992 2.567628 ESP Fit Center 4303 is at 2.762068 -3.230730 2.567628 ESP Fit Center 4304 is at 3.179257 -3.230730 2.567628 ESP Fit Center 4305 is at 3.587331 -3.143992 2.567628 ESP Fit Center 4306 is at 3.968452 -2.974305 2.567628 ESP Fit Center 4307 is at 4.305966 -2.729087 2.567628 ESP Fit Center 4308 is at 1.209197 -2.423056 2.162427 ESP Fit Center 4309 is at 1.472660 -2.744086 2.162427 ESP Fit Center 4310 is at 1.793689 -3.007548 2.162427 ESP Fit Center 4311 is at 2.159949 -3.203318 2.162427 ESP Fit Center 4312 is at 2.557364 -3.323873 2.162427 ESP Fit Center 4313 is at 2.970663 -3.364579 2.162427 ESP Fit Center 4314 is at 3.383961 -3.323873 2.162427 ESP Fit Center 4315 is at 3.781376 -3.203318 2.162427 ESP Fit Center 4316 is at 4.147636 -3.007548 2.162427 ESP Fit Center 4317 is at 1.890663 -3.116698 1.741032 ESP Fit Center 4318 is at 2.264196 -3.287284 1.741032 ESP Fit Center 4319 is at 2.663263 -3.384097 1.741032 ESP Fit Center 4320 is at 3.073439 -3.403636 1.741032 ESP Fit Center 4321 is at 3.479902 -3.345196 1.741032 ESP Fit Center 4322 is at 3.867959 -3.210888 1.741032 ESP Fit Center 4323 is at 4.223585 -3.005567 1.741032 ESP Fit Center 4324 is at 2.159949 -3.203318 1.319636 ESP Fit Center 4325 is at 2.557364 -3.323873 1.319636 ESP Fit Center 4326 is at 2.970663 -3.364579 1.319636 ESP Fit Center 4327 is at 3.383961 -3.323873 1.319636 ESP Fit Center 4328 is at 3.781376 -3.203318 1.319636 ESP Fit Center 4329 is at 2.762068 -3.230730 0.914435 ESP Fit Center 4330 is at 3.179257 -3.230730 0.914435 ESP Fit Center 4331 is at 4.507480 -3.142760 0.633416 ESP Fit Center 4332 is at 4.899412 -3.003467 0.633416 ESP Fit Center 4333 is at 5.239230 -2.763598 0.633416 ESP Fit Center 4334 is at 4.508599 -3.416044 0.306098 ESP Fit Center 4335 is at 4.908081 -3.296447 0.306098 ESP Fit Center 4336 is at 5.269213 -3.087948 0.306098 ESP Fit Center 4337 is at 5.572528 -2.801785 0.306098 ESP Fit Center 4338 is at 5.801673 -2.453387 0.306098 ESP Fit Center 4339 is at 5.944295 -2.061535 0.306098 ESP Fit Center 4340 is at 6.192311 -1.647355 -0.067338 ESP Fit Center 4341 is at 4.405327 -3.632003 -0.067338 ESP Fit Center 4342 is at 4.813400 -3.545264 -0.067338 ESP Fit Center 4343 is at 5.194522 -3.375578 -0.067338 ESP Fit Center 4344 is at 5.532035 -3.130360 -0.067338 ESP Fit Center 4345 is at 5.811190 -2.820327 -0.067338 ESP Fit Center 4346 is at 6.019784 -2.459030 -0.067338 ESP Fit Center 4347 is at 6.148703 -2.062259 -0.067338 ESP Fit Center 4348 is at 6.315228 -1.647355 -0.472539 ESP Fit Center 4349 is at 6.274522 -1.234057 -0.472539 ESP Fit Center 4350 is at 6.153967 -0.836641 -0.472539 ESP Fit Center 4351 is at 5.958197 -0.470381 -0.472539 ESP Fit Center 4352 is at 4.196732 -3.765851 -0.472539 ESP Fit Center 4353 is at 4.610030 -3.725145 -0.472539 ESP Fit Center 4354 is at 5.007445 -3.604590 -0.472539 ESP Fit Center 4355 is at 5.373705 -3.408820 -0.472539 ESP Fit Center 4356 is at 5.694735 -3.145358 -0.472539 ESP Fit Center 4357 is at 5.958197 -2.824328 -0.472539 ESP Fit Center 4358 is at 6.153967 -2.458068 -0.472539 ESP Fit Center 4359 is at 6.274522 -2.060653 -0.472539 ESP Fit Center 4360 is at 6.356732 -1.647355 -0.893934 ESP Fit Center 4361 is at 6.317698 -1.238572 -0.893934 ESP Fit Center 4362 is at 6.202006 -0.844564 -0.893934 ESP Fit Center 4363 is at 6.013839 -0.479571 -0.893934 ESP Fit Center 4364 is at 5.759997 -0.156784 -0.893934 ESP Fit Center 4365 is at 4.299509 -3.804908 -0.893934 ESP Fit Center 4366 is at 4.705971 -3.746468 -0.893934 ESP Fit Center 4367 is at 5.094028 -3.612160 -0.893934 ESP Fit Center 4368 is at 5.449655 -3.406839 -0.893934 ESP Fit Center 4369 is at 5.759997 -3.137926 -0.893934 ESP Fit Center 4370 is at 6.013839 -2.815139 -0.893934 ESP Fit Center 4371 is at 6.202006 -2.450146 -0.893934 ESP Fit Center 4372 is at 6.317698 -2.056138 -0.893934 ESP Fit Center 4373 is at 6.315228 -1.647355 -1.315329 ESP Fit Center 4374 is at 6.274522 -1.234057 -1.315329 ESP Fit Center 4375 is at 6.153967 -0.836641 -1.315329 ESP Fit Center 4376 is at 5.958197 -0.470381 -1.315329 ESP Fit Center 4377 is at 5.694735 -0.149352 -1.315329 ESP Fit Center 4378 is at 4.196732 -3.765851 -1.315329 ESP Fit Center 4379 is at 4.610030 -3.725145 -1.315329 ESP Fit Center 4380 is at 5.007445 -3.604590 -1.315329 ESP Fit Center 4381 is at 5.373705 -3.408820 -1.315329 ESP Fit Center 4382 is at 5.694735 -3.145358 -1.315329 ESP Fit Center 4383 is at 5.958197 -2.824328 -1.315329 ESP Fit Center 4384 is at 6.153967 -2.458068 -1.315329 ESP Fit Center 4385 is at 6.274522 -2.060653 -1.315329 ESP Fit Center 4386 is at 6.192311 -1.647355 -1.720530 ESP Fit Center 4387 is at 6.148703 -1.232451 -1.720530 ESP Fit Center 4388 is at 6.019784 -0.835679 -1.720530 ESP Fit Center 4389 is at 5.811190 -0.474383 -1.720530 ESP Fit Center 4390 is at 5.532035 -0.164350 -1.720530 ESP Fit Center 4391 is at 4.405327 -3.632003 -1.720530 ESP Fit Center 4392 is at 4.813400 -3.545264 -1.720530 ESP Fit Center 4393 is at 5.194522 -3.375578 -1.720530 ESP Fit Center 4394 is at 5.532035 -3.130360 -1.720530 ESP Fit Center 4395 is at 5.811190 -2.820327 -1.720530 ESP Fit Center 4396 is at 6.019784 -2.459030 -1.720530 ESP Fit Center 4397 is at 6.148703 -2.062259 -1.720530 ESP Fit Center 4398 is at 5.992706 -1.647355 -2.093966 ESP Fit Center 4399 is at 5.944295 -1.233175 -2.093966 ESP Fit Center 4400 is at 5.801673 -0.841323 -2.093966 ESP Fit Center 4401 is at 5.572528 -0.492925 -2.093966 ESP Fit Center 4402 is at 5.269213 -0.206762 -2.093966 ESP Fit Center 4403 is at 4.508599 -3.416044 -2.093966 ESP Fit Center 4404 is at 4.908081 -3.296447 -2.093966 ESP Fit Center 4405 is at 5.269213 -3.087948 -2.093966 ESP Fit Center 4406 is at 5.572528 -2.801785 -2.093966 ESP Fit Center 4407 is at 5.801673 -2.453387 -2.093966 ESP Fit Center 4408 is at 5.944295 -2.061535 -2.093966 ESP Fit Center 4409 is at 5.724082 -1.647355 -2.421285 ESP Fit Center 4410 is at 5.667444 -1.235281 -2.421285 ESP Fit Center 4411 is at 5.501730 -0.853768 -2.421285 ESP Fit Center 4412 is at 5.239230 -0.531112 -2.421285 ESP Fit Center 4413 is at 4.899412 -0.291243 -2.421285 ESP Fit Center 4414 is at 4.507480 -3.142760 -2.421285 ESP Fit Center 4415 is at 4.899412 -3.003467 -2.421285 ESP Fit Center 4416 is at 5.239230 -2.763598 -2.421285 ESP Fit Center 4417 is at 5.501730 -2.440942 -2.421285 ESP Fit Center 4418 is at 5.667444 -2.059429 -2.421285 ESP Fit Center 4419 is at 5.396763 -1.647355 -2.689909 ESP Fit Center 4420 is at 5.324393 -1.236920 -2.689909 ESP Fit Center 4421 is at 5.116009 -0.875989 -2.689909 ESP Fit Center 4422 is at 4.796747 -0.608097 -2.689909 ESP Fit Center 4423 is at 4.405115 -2.829155 -2.689909 ESP Fit Center 4424 is at 4.796747 -2.686613 -2.689909 ESP Fit Center 4425 is at 5.116009 -2.418720 -2.689909 ESP Fit Center 4426 is at 5.324393 -2.057790 -2.689909 ESP Fit Center 4427 is at 5.023328 -1.647355 -2.889514 ESP Fit Center 4428 is at 4.912585 -1.234057 -2.889514 ESP Fit Center 4429 is at 4.610030 -2.363208 -2.889514 ESP Fit Center 4430 is at 4.912585 -2.060653 -2.889514 ESP Fit Center 4431 is at 4.618127 -1.647355 -3.012430 ESP Fit Center 4432 is at -4.533030 0.293605 2.615691 ESP Fit Center 4433 is at -4.325641 0.652813 2.581321 ESP Fit Center 4434 is at -4.740419 0.652813 2.581321 ESP Fit Center 4435 is at -4.947808 0.293605 2.581321 ESP Fit Center 4436 is at -4.740419 -0.065604 2.581321 ESP Fit Center 4437 is at -4.325641 -0.065604 2.581321 ESP Fit Center 4438 is at -4.123909 1.002224 2.479150 ESP Fit Center 4439 is at -4.533030 1.111847 2.479150 ESP Fit Center 4440 is at -4.942151 1.002224 2.479150 ESP Fit Center 4441 is at -5.241649 0.702726 2.479150 ESP Fit Center 4442 is at -5.351273 0.293605 2.479150 ESP Fit Center 4443 is at -5.241649 -0.115517 2.479150 ESP Fit Center 4444 is at -4.942151 -0.415014 2.479150 ESP Fit Center 4445 is at -4.533030 -0.524638 2.479150 ESP Fit Center 4446 is at -4.324759 1.474771 2.311965 ESP Fit Center 4447 is at -4.741302 1.474771 2.311965 ESP Fit Center 4448 is at -5.132724 1.332305 2.311965 ESP Fit Center 4449 is at -5.451814 1.064556 2.311965 ESP Fit Center 4450 is at -5.660086 0.703819 2.311965 ESP Fit Center 4451 is at -5.732418 0.293605 2.311965 ESP Fit Center 4452 is at -5.660086 -0.116610 2.311965 ESP Fit Center 4453 is at -5.451814 -0.477347 2.311965 ESP Fit Center 4454 is at -5.132724 -0.745095 2.311965 ESP Fit Center 4455 is at -4.741302 -0.887561 2.311965 ESP Fit Center 4456 is at -4.218118 1.809047 2.084325 ESP Fit Center 4457 is at -4.638657 1.837812 2.084325 ESP Fit Center 4458 is at -5.051362 1.752051 2.084325 ESP Fit Center 4459 is at -5.425625 1.558124 2.084325 ESP Fit Center 4460 is at -5.733688 1.270413 2.084325 ESP Fit Center 4461 is at -5.952704 0.910256 2.084325 ESP Fit Center 4462 is at -6.066430 0.504366 2.084325 ESP Fit Center 4463 is at -6.066430 0.082844 2.084325 ESP Fit Center 4464 is at -5.952704 -0.323047 2.084325 ESP Fit Center 4465 is at -5.733688 -0.683203 2.084325 ESP Fit Center 4466 is at -5.425625 -0.970914 2.084325 ESP Fit Center 4467 is at -5.051362 -1.164842 2.084325 ESP Fit Center 4468 is at -4.638657 -1.250603 2.084325 ESP Fit Center 4469 is at -4.211082 2.119462 1.802440 ESP Fit Center 4470 is at -4.640832 2.144492 1.802440 ESP Fit Center 4471 is at -5.064770 2.069740 1.802440 ESP Fit Center 4472 is at -5.460042 1.899237 1.802440 ESP Fit Center 4473 is at -5.805339 1.642173 1.802440 ESP Fit Center 4474 is at -6.082045 1.312408 1.802440 ESP Fit Center 4475 is at -6.275243 0.927718 1.802440 ESP Fit Center 4476 is at -6.374518 0.508844 1.802440 ESP Fit Center 4477 is at -6.374518 0.078366 1.802440 ESP Fit Center 4478 is at -6.275243 -0.340509 1.802440 ESP Fit Center 4479 is at -6.082045 -0.725198 1.802440 ESP Fit Center 4480 is at -5.805339 -1.054964 1.802440 ESP Fit Center 4481 is at -5.460042 -1.312027 1.802440 ESP Fit Center 4482 is at -5.064770 -1.482531 1.802440 ESP Fit Center 4483 is at -4.213569 2.378936 1.474000 ESP Fit Center 4484 is at -4.639883 2.400556 1.474000 ESP Fit Center 4485 is at -5.061822 2.335918 1.474000 ESP Fit Center 4486 is at -5.462112 2.187667 1.474000 ESP Fit Center 4487 is at -5.824365 1.961872 1.474000 ESP Fit Center 4488 is at -6.133751 1.667779 1.474000 ESP Fit Center 4489 is at -6.377604 1.317427 1.474000 ESP Fit Center 4490 is 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1.107963 ESP Fit Center 4509 is at -6.684942 -0.540050 1.107963 ESP Fit Center 4510 is at -6.495118 -0.921269 1.107963 ESP Fit Center 4511 is at -6.238477 -1.261116 1.107963 ESP Fit Center 4512 is at -5.923759 -1.548019 1.107963 ESP Fit Center 4513 is at -5.561682 -1.772207 1.107963 ESP Fit Center 4514 is at -4.957233 2.699380 0.714314 ESP Fit Center 4515 is at -5.368547 2.589169 0.714314 ESP Fit Center 4516 is at -5.754474 2.409208 0.714314 ESP Fit Center 4517 is at -6.103289 2.164966 0.714314 ESP Fit Center 4518 is at -6.404391 1.863863 0.714314 ESP Fit Center 4519 is at -6.648634 1.515049 0.714314 ESP Fit Center 4520 is at -6.828595 1.129122 0.714314 ESP Fit Center 4521 is at -6.938806 0.717808 0.714314 ESP Fit Center 4522 is at -6.975919 0.293605 0.714314 ESP Fit Center 4523 is at -6.938806 -0.130599 0.714314 ESP Fit Center 4524 is at -6.828595 -0.541913 0.714314 ESP Fit Center 4525 is at -6.648634 -0.927840 0.714314 ESP Fit Center 4526 is at -6.404391 -1.276654 0.714314 ESP Fit Center 4527 is at -6.103289 -1.577757 0.714314 ESP Fit Center 4528 is at -5.754474 -1.821999 0.714314 ESP Fit Center 4529 is at -5.368547 -2.001960 0.714314 ESP Fit Center 4530 is at -4.852022 2.784656 0.303791 ESP Fit Center 4531 is at -5.268423 2.694915 0.303791 ESP Fit Center 4532 is at -5.663669 2.536092 0.303791 ESP Fit Center 4533 is at -6.026388 2.312757 0.303791 ESP Fit Center 4534 is at -6.346145 2.031335 0.303791 ESP Fit Center 4535 is at -6.613743 1.699921 0.303791 ESP Fit Center 4536 is at -6.821483 1.328051 0.303791 ESP Fit Center 4537 is at -6.963388 0.926421 0.303791 ESP Fit Center 4538 is at -7.035376 0.506586 0.303791 ESP Fit Center 4539 is at -7.035376 0.080624 0.303791 ESP Fit Center 4540 is at -6.963388 -0.339211 0.303791 ESP Fit Center 4541 is at -6.821483 -0.740841 0.303791 ESP Fit Center 4542 is at -6.613743 -1.112712 0.303791 ESP Fit Center 4543 is at -6.346145 -1.444126 0.303791 ESP Fit Center 4544 is at -6.026388 -1.725548 0.303791 ESP Fit Center 4545 is at -5.663669 -1.948883 0.303791 ESP Fit Center 4546 is at -4.852022 2.784656 -0.112409 ESP Fit Center 4547 is at -5.268423 2.694915 -0.112409 ESP Fit Center 4548 is at -5.663669 2.536092 -0.112409 ESP Fit Center 4549 is at -6.026388 2.312757 -0.112409 ESP Fit Center 4550 is at -6.346145 2.031335 -0.112409 ESP Fit Center 4551 is at -6.613743 1.699921 -0.112409 ESP Fit Center 4552 is at -6.821483 1.328051 -0.112409 ESP Fit Center 4553 is at -6.963388 0.926421 -0.112409 ESP Fit Center 4554 is at -7.035376 0.506586 -0.112409 ESP Fit Center 4555 is at -7.035376 0.080624 -0.112409 ESP Fit Center 4556 is at -6.963388 -0.339211 -0.112409 ESP Fit Center 4557 is at -6.821483 -0.740841 -0.112409 ESP Fit Center 4558 is at -6.613743 -1.112712 -0.112409 ESP Fit Center 4559 is at -6.346145 -1.444126 -0.112409 ESP Fit Center 4560 is at -6.026388 -1.725548 -0.112409 ESP Fit Center 4561 is at -5.663669 -1.948883 -0.112409 ESP Fit Center 4562 is at -4.957233 2.699380 -0.522933 ESP Fit Center 4563 is at -5.368547 2.589169 -0.522933 ESP Fit Center 4564 is at -5.754474 2.409208 -0.522933 ESP Fit Center 4565 is at -6.103289 2.164966 -0.522933 ESP Fit Center 4566 is at -6.404391 1.863863 -0.522933 ESP Fit Center 4567 is at -6.648634 1.515049 -0.522933 ESP Fit Center 4568 is at -6.828595 1.129122 -0.522933 ESP Fit Center 4569 is at -6.938806 0.717808 -0.522933 ESP Fit Center 4570 is at -6.975919 0.293605 -0.522933 ESP Fit Center 4571 is at -6.938806 -0.130599 -0.522933 ESP Fit Center 4572 is at -6.828595 -0.541913 -0.522933 ESP Fit Center 4573 is at -6.648634 -0.927840 -0.522933 ESP Fit Center 4574 is at -6.404391 -1.276654 -0.522933 ESP Fit Center 4575 is at -6.103289 -1.577757 -0.522933 ESP Fit Center 4576 is at -5.754474 -1.821999 -0.522933 ESP Fit Center 4577 is at -5.368547 -2.001960 -0.522933 ESP Fit Center 4578 is at -4.745962 2.591509 -0.916582 ESP Fit Center 4579 is at -5.164576 2.513257 -0.916582 ESP Fit Center 4580 is at -5.561682 2.359417 -0.916582 ESP Fit Center 4581 is at -5.923759 2.135228 -0.916582 ESP Fit Center 4582 is at -6.238477 1.848325 -0.916582 ESP Fit Center 4583 is at -6.495118 1.508478 -0.916582 ESP Fit Center 4584 is at -6.684942 1.127260 -0.916582 ESP Fit Center 4585 is at -6.801485 0.717652 -0.916582 ESP Fit Center 4586 is at -6.840779 0.293605 -0.916582 ESP Fit Center 4587 is at -6.801485 -0.130443 -0.916582 ESP Fit Center 4588 is at -6.684942 -0.540050 -0.916582 ESP Fit Center 4589 is at -6.495118 -0.921269 -0.916582 ESP Fit Center 4590 is at -6.238477 -1.261116 -0.916582 ESP Fit Center 4591 is at -5.923759 -1.548019 -0.916582 ESP Fit Center 4592 is at -5.561682 -1.772207 -0.916582 ESP Fit Center 4593 is at -4.639883 2.400556 -1.282619 ESP Fit Center 4594 is at -5.061822 2.335918 -1.282619 ESP Fit Center 4595 is at -5.462112 2.187667 -1.282619 ESP Fit Center 4596 is at -5.824365 1.961872 -1.282619 ESP Fit Center 4597 is at -6.133751 1.667779 -1.282619 ESP Fit Center 4598 is at -6.377604 1.317427 -1.282619 ESP Fit Center 4599 is at -6.545939 0.925159 -1.282619 ESP Fit Center 4600 is at -6.631866 0.507035 -1.282619 ESP Fit Center 4601 is at -6.631866 0.080174 -1.282619 ESP Fit Center 4602 is at -6.545939 -0.337950 -1.282619 ESP Fit Center 4603 is at -6.377604 -0.730217 -1.282619 ESP Fit Center 4604 is at -6.133751 -1.080570 -1.282619 ESP Fit Center 4605 is at -5.824365 -1.374663 -1.282619 ESP Fit Center 4606 is at -5.462112 -1.600457 -1.282619 ESP Fit Center 4607 is at -5.061822 -1.748708 -1.282619 ESP Fit Center 4608 is at -4.640832 2.144492 -1.611059 ESP Fit Center 4609 is at -5.064770 2.069740 -1.611059 ESP Fit Center 4610 is at -5.460042 1.899237 -1.611059 ESP Fit Center 4611 is at -5.805339 1.642173 -1.611059 ESP Fit Center 4612 is at -6.082045 1.312408 -1.611059 ESP Fit Center 4613 is at -6.275243 0.927718 -1.611059 ESP Fit Center 4614 is at -6.374518 0.508844 -1.611059 ESP Fit Center 4615 is at -6.374518 0.078366 -1.611059 ESP Fit Center 4616 is at -6.275243 -0.340509 -1.611059 ESP Fit Center 4617 is at -6.082045 -0.725198 -1.611059 ESP Fit Center 4618 is at -5.805339 -1.054964 -1.611059 ESP Fit Center 4619 is at -5.460042 -1.312027 -1.611059 ESP Fit Center 4620 is at -5.064770 -1.482531 -1.611059 ESP Fit Center 4621 is at -4.218118 1.809047 -1.892943 ESP Fit Center 4622 is at -4.638657 1.837812 -1.892943 ESP Fit Center 4623 is at -5.051362 1.752051 -1.892943 ESP Fit Center 4624 is at -5.425625 1.558124 -1.892943 ESP Fit Center 4625 is at -5.733688 1.270413 -1.892943 ESP Fit Center 4626 is at -5.952704 0.910256 -1.892943 ESP Fit Center 4627 is at -6.066430 0.504366 -1.892943 ESP Fit Center 4628 is at -6.066430 0.082844 -1.892943 ESP Fit Center 4629 is at -5.952704 -0.323047 -1.892943 ESP Fit Center 4630 is at -5.733688 -0.683203 -1.892943 ESP Fit Center 4631 is at -5.425625 -0.970914 -1.892943 ESP Fit Center 4632 is at -5.051362 -1.164842 -1.892943 ESP Fit Center 4633 is at -4.324759 1.474771 -2.120583 ESP Fit Center 4634 is at -4.741302 1.474771 -2.120583 ESP Fit Center 4635 is at -5.132724 1.332305 -2.120583 ESP Fit Center 4636 is at -5.451814 1.064556 -2.120583 ESP Fit Center 4637 is at -5.660086 0.703819 -2.120583 ESP Fit Center 4638 is at -5.732418 0.293605 -2.120583 ESP Fit Center 4639 is at -5.660086 -0.116610 -2.120583 ESP Fit Center 4640 is at -5.451814 -0.477347 -2.120583 ESP Fit Center 4641 is at -5.132724 -0.745095 -2.120583 ESP Fit Center 4642 is at -4.741302 -0.887561 -2.120583 ESP Fit Center 4643 is at -4.533030 1.111847 -2.287769 ESP Fit Center 4644 is at -4.942151 1.002224 -2.287769 ESP Fit Center 4645 is at -5.241649 0.702726 -2.287769 ESP Fit Center 4646 is at -5.351273 0.293605 -2.287769 ESP Fit Center 4647 is at -5.241649 -0.115517 -2.287769 ESP Fit Center 4648 is at -4.942151 -0.415014 -2.287769 ESP Fit Center 4649 is at -4.325641 0.652813 -2.389940 ESP Fit Center 4650 is at -4.740419 0.652813 -2.389940 ESP Fit Center 4651 is at -4.947808 0.293605 -2.389940 ESP Fit Center 4652 is at -4.740419 -0.065604 -2.389940 ESP Fit Center 4653 is at -4.533030 0.293605 -2.424309 ESP Fit Center 4654 is at -2.276192 -4.378567 -0.410228 ESP Fit Center 4655 is at -1.878777 -4.499121 -0.410228 ESP Fit Center 4656 is at -1.465478 -4.539828 -0.410228 ESP Fit Center 4657 is at -1.052180 -4.499121 -0.410228 ESP Fit Center 4658 is at -0.654765 -4.378567 -0.410228 ESP Fit Center 4659 is at -0.288505 -4.182797 -0.410228 ESP Fit Center 4660 is at 0.032525 -3.919334 -0.410228 ESP Fit Center 4661 is at -2.879978 -4.053751 -0.831623 ESP Fit Center 4662 is at -2.545478 -4.291946 -0.831623 ESP Fit Center 4663 is at -2.171945 -4.462533 -0.831623 ESP Fit Center 4664 is at -1.772879 -4.559346 -0.831623 ESP Fit Center 4665 is at -1.362702 -4.578885 -0.831623 ESP Fit Center 4666 is at -0.956239 -4.520444 -0.831623 ESP Fit Center 4667 is at -0.568182 -4.386137 -0.831623 ESP Fit Center 4668 is at -0.212556 -4.180815 -0.831623 ESP Fit Center 4669 is at 0.097787 -3.911902 -0.831623 ESP Fit Center 4670 is at -3.226944 -3.598305 -1.253018 ESP Fit Center 4671 is at -2.963482 -3.919334 -1.253018 ESP Fit Center 4672 is at -2.642452 -4.182797 -1.253018 ESP Fit Center 4673 is at -2.276192 -4.378567 -1.253018 ESP Fit Center 4674 is at -1.878777 -4.499121 -1.253018 ESP Fit Center 4675 is at -1.465478 -4.539828 -1.253018 ESP Fit Center 4676 is at -1.052180 -4.499121 -1.253018 ESP Fit Center 4677 is at -0.654765 -4.378567 -1.253018 ESP Fit Center 4678 is at -0.288505 -4.182797 -1.253018 ESP Fit Center 4679 is at 0.032525 -3.919334 -1.253018 ESP Fit Center 4680 is at -3.288531 -3.233007 -1.658219 ESP Fit Center 4681 is at -3.079936 -3.594304 -1.658219 ESP Fit Center 4682 is at -2.800782 -3.904336 -1.658219 ESP Fit Center 4683 is at -2.463268 -4.149554 -1.658219 ESP Fit Center 4684 is at -2.082147 -4.319241 -1.658219 ESP Fit Center 4685 is at -1.674073 -4.405979 -1.658219 ESP Fit Center 4686 is at -1.256884 -4.405979 -1.658219 ESP Fit Center 4687 is at -0.848810 -4.319241 -1.658219 ESP Fit Center 4688 is at -0.467689 -4.149554 -1.658219 ESP Fit Center 4689 is at -0.130175 -3.904336 -1.658219 ESP Fit Center 4690 is at 0.148979 -3.594304 -1.658219 ESP Fit Center 4691 is at -3.153142 -3.035591 -2.031654 ESP Fit Center 4692 is at -2.965993 -3.408235 -2.031654 ESP Fit Center 4693 is at -2.697951 -3.727676 -2.031654 ESP Fit Center 4694 is at -2.363466 -3.976691 -2.031654 ESP Fit Center 4695 is at -1.980570 -4.141856 -2.031654 ESP Fit Center 4696 is at -1.569905 -4.214267 -2.031654 ESP Fit Center 4697 is at -1.153611 -4.190021 -2.031654 ESP Fit Center 4698 is at -0.754129 -4.070424 -2.031654 ESP Fit Center 4699 is at -0.392997 -3.861924 -2.031654 ESP Fit Center 4700 is at -0.089682 -3.575762 -2.031654 ESP Fit Center 4701 is at 0.139463 -3.227363 -2.031654 ESP Fit Center 4702 is at 0.282085 -2.835512 -2.031654 ESP Fit Center 4703 is at 0.061872 -2.421331 -2.358973 ESP Fit Center 4704 is at -2.978603 -2.213357 -2.358973 ESP Fit Center 4705 is at -2.978603 -2.629306 -2.358973 ESP Fit Center 4706 is at -2.866382 -3.029830 -2.358973 ESP Fit Center 4707 is at -2.650262 -3.385224 -2.358973 ESP Fit Center 4708 is at -2.346272 -3.669131 -2.358973 ESP Fit Center 4709 is at -1.976957 -3.860494 -2.358973 ESP Fit Center 4710 is at -1.569709 -3.945121 -2.358973 ESP Fit Center 4711 is at -1.154730 -3.916736 -2.358973 ESP Fit Center 4712 is at -0.762798 -3.777444 -2.358973 ESP Fit Center 4713 is at -0.422981 -3.537574 -2.358973 ESP Fit Center 4714 is at -0.160480 -3.214918 -2.358973 ESP Fit Center 4715 is at 0.005234 -2.833406 -2.358973 ESP Fit Center 4716 is at -0.265447 -2.421331 -2.627597 ESP Fit Center 4717 is at -0.337818 -2.010896 -2.627597 ESP Fit Center 4718 is at -0.546201 -1.649966 -2.627597 ESP Fit Center 4719 is at -0.865463 -1.382074 -2.627597 ESP Fit Center 4720 is at -1.257095 -1.239531 -2.627597 ESP Fit Center 4721 is at -1.673862 -1.239531 -2.627597 ESP Fit Center 4722 is at -2.065494 -1.382074 -2.627597 ESP Fit Center 4723 is at -2.384756 -1.649966 -2.627597 ESP Fit Center 4724 is at -2.593139 -2.010896 -2.627597 ESP Fit Center 4725 is at -2.665510 -2.421331 -2.627597 ESP Fit Center 4726 is at -2.593139 -2.831766 -2.627597 ESP Fit Center 4727 is at -2.384756 -3.192697 -2.627597 ESP Fit Center 4728 is at -2.065494 -3.460589 -2.627597 ESP Fit Center 4729 is at -1.673862 -3.603132 -2.627597 ESP Fit Center 4730 is at -1.257095 -3.603132 -2.627597 ESP Fit Center 4731 is at -0.865463 -3.460589 -2.627597 ESP Fit Center 4732 is at -0.546201 -3.192697 -2.627597 ESP Fit Center 4733 is at -0.337818 -2.831766 -2.627597 ESP Fit Center 4734 is at -0.638882 -2.421331 -2.827203 ESP Fit Center 4735 is at -0.749625 -2.008033 -2.827203 ESP Fit Center 4736 is at -1.052180 -1.705478 -2.827203 ESP Fit Center 4737 is at -1.465478 -1.594735 -2.827203 ESP Fit Center 4738 is at -1.878777 -1.705478 -2.827203 ESP Fit Center 4739 is at -2.181332 -2.008033 -2.827203 ESP Fit Center 4740 is at -2.292075 -2.421331 -2.827203 ESP Fit Center 4741 is at -2.181332 -2.834630 -2.827203 ESP Fit Center 4742 is at -1.878777 -3.137185 -2.827203 ESP Fit Center 4743 is at -1.465478 -3.247928 -2.827203 ESP Fit Center 4744 is at -1.052180 -3.137185 -2.827203 ESP Fit Center 4745 is at -0.749625 -2.834630 -2.827203 ESP Fit Center 4746 is at -1.044083 -2.421331 -2.950119 ESP Fit Center 4747 is at -1.254781 -2.056393 -2.950119 ESP Fit Center 4748 is at -1.676176 -2.056393 -2.950119 ESP Fit Center 4749 is at -1.886874 -2.421331 -2.950119 ESP Fit Center 4750 is at -1.676176 -2.786270 -2.950119 ESP Fit Center 4751 is at -1.254781 -2.786270 -2.950119 ESP Fit Center 4752 is at -1.465478 -2.421331 -2.991623 ESP Fit Center 4753 is at -2.963250 -1.318251 2.590908 ESP Fit Center 4754 is at -2.548472 -1.318251 2.556539 ESP Fit Center 4755 is at -2.755861 -0.959043 2.556539 ESP Fit Center 4756 is at -3.378029 -1.318251 2.556539 ESP Fit Center 4757 is at -3.170640 -1.677460 2.556539 ESP Fit Center 4758 is at -2.755861 -1.677460 2.556539 ESP Fit Center 4759 is at -3.781493 -1.318251 2.454368 ESP Fit Center 4760 is at -3.671869 -1.727373 2.454368 ESP Fit Center 4761 is at -3.372372 -2.026870 2.454368 ESP Fit Center 4762 is at -2.963250 -2.136494 2.454368 ESP Fit Center 4763 is at -4.162638 -1.318251 2.287182 ESP Fit Center 4764 is at -4.090306 -1.728466 2.287182 ESP Fit Center 4765 is at -3.882034 -2.089203 2.287182 ESP Fit Center 4766 is at -3.562944 -2.356951 2.287182 ESP Fit Center 4767 is at -3.171522 -2.499417 2.287182 ESP Fit Center 4768 is at -4.496650 -1.529012 2.059543 ESP Fit Center 4769 is at -4.382925 -1.934903 2.059543 ESP Fit Center 4770 is at -4.163909 -2.295059 2.059543 ESP Fit Center 4771 is at -3.855845 -2.582770 2.059543 ESP Fit Center 4772 is at -3.481582 -2.776698 2.059543 ESP Fit Center 4773 is at -4.705463 -1.952365 1.777658 ESP Fit Center 4774 is at -4.512265 -2.337054 1.777658 ESP Fit Center 4775 is at -4.235559 -2.666820 1.777658 ESP Fit Center 4776 is at -3.890263 -2.923883 1.777658 ESP Fit Center 4777 is at -3.494991 -3.094387 1.777658 ESP Fit Center 4778 is at -4.976159 -1.949806 1.449218 ESP Fit Center 4779 is at -4.807824 -2.342073 1.449218 ESP Fit Center 4780 is at -4.563972 -2.692425 1.449218 ESP Fit Center 4781 is at -4.254586 -2.986519 1.449218 ESP Fit Center 4782 is at -3.892332 -3.212313 1.449218 ESP Fit Center 4783 is at -3.492042 -3.360564 1.449218 ESP Fit Center 4784 is at -5.115162 -2.151906 1.083181 ESP Fit Center 4785 is at -4.925338 -2.533124 1.083181 ESP Fit Center 4786 is at -4.668697 -2.872972 1.083181 ESP Fit Center 4787 is at -4.353980 -3.159875 1.083181 ESP Fit Center 4788 is at -3.991903 -3.384063 1.083181 ESP Fit Center 4789 is at -3.594796 -3.537903 1.083181 ESP Fit Center 4790 is at -5.258815 -2.153768 0.689532 ESP Fit Center 4791 is at -5.078854 -2.539696 0.689532 ESP Fit Center 4792 is at -4.834612 -2.888510 0.689532 ESP Fit Center 4793 is at -4.533509 -3.189613 0.689532 ESP Fit Center 4794 is at -4.184695 -3.433855 0.689532 ESP Fit Center 4795 is at -3.798768 -3.613816 0.689532 ESP Fit Center 4796 is at -3.387454 -3.724027 0.689532 ESP Fit Center 4797 is at -5.251703 -2.352697 0.279008 ESP Fit Center 4798 is at -5.043964 -2.724568 0.279008 ESP Fit Center 4799 is at -4.776366 -3.055982 0.279008 ESP Fit Center 4800 is at -4.456608 -3.337404 0.279008 ESP Fit Center 4801 is at -4.093889 -3.560739 0.279008 ESP Fit Center 4802 is at -3.698643 -3.719562 0.279008 ESP Fit Center 4803 is at -5.251703 -2.352697 -0.137191 ESP Fit Center 4804 is at -5.043964 -2.724568 -0.137191 ESP Fit Center 4805 is at -4.776366 -3.055982 -0.137191 ESP Fit Center 4806 is at -4.456608 -3.337404 -0.137191 ESP Fit Center 4807 is at -4.093889 -3.560739 -0.137191 ESP Fit Center 4808 is at -3.698643 -3.719562 -0.137191 ESP Fit Center 4809 is at -5.258815 -2.153768 -0.547715 ESP Fit Center 4810 is at -5.078854 -2.539696 -0.547715 ESP Fit Center 4811 is at -4.834612 -2.888510 -0.547715 ESP Fit Center 4812 is at -4.533509 -3.189613 -0.547715 ESP Fit Center 4813 is at -4.184695 -3.433855 -0.547715 ESP Fit Center 4814 is at -3.798768 -3.613816 -0.547715 ESP Fit Center 4815 is at -3.387454 -3.724027 -0.547715 ESP Fit Center 4816 is at -5.115162 -2.151906 -0.941364 ESP Fit Center 4817 is at -4.925338 -2.533124 -0.941364 ESP Fit Center 4818 is at -4.668697 -2.872972 -0.941364 ESP Fit Center 4819 is at -4.353980 -3.159875 -0.941364 ESP Fit Center 4820 is at -3.991903 -3.384063 -0.941364 ESP Fit Center 4821 is at -3.594796 -3.537903 -0.941364 ESP Fit Center 4822 is at -4.976159 -1.949806 -1.307401 ESP Fit Center 4823 is at -4.807824 -2.342073 -1.307401 ESP Fit Center 4824 is at -4.563972 -2.692425 -1.307401 ESP Fit Center 4825 is at -4.254586 -2.986519 -1.307401 ESP Fit Center 4826 is at -3.892332 -3.212313 -1.307401 ESP Fit Center 4827 is at -3.492042 -3.360564 -1.307401 ESP Fit Center 4828 is at -4.804738 -1.533490 -1.635841 ESP Fit Center 4829 is at -4.705463 -1.952365 -1.635841 ESP Fit Center 4830 is at -4.512265 -2.337054 -1.635841 ESP Fit Center 4831 is at -4.235559 -2.666820 -1.635841 ESP Fit Center 4832 is at -3.890263 -2.923883 -1.635841 ESP Fit Center 4833 is at -3.494991 -3.094387 -1.635841 ESP Fit Center 4834 is at -4.496650 -1.529012 -1.917726 ESP Fit Center 4835 is at -4.382925 -1.934903 -1.917726 ESP Fit Center 4836 is at -4.163909 -2.295059 -1.917726 ESP Fit Center 4837 is at -3.855845 -2.582770 -1.917726 ESP Fit Center 4838 is at -3.481582 -2.776698 -1.917726 ESP Fit Center 4839 is at -4.090306 -1.728466 -2.145365 ESP Fit Center 4840 is at -3.882034 -2.089203 -2.145365 ESP Fit Center 4841 is at -3.562944 -2.356951 -2.145365 ESP Fit Center 4842 is at -3.781493 -1.318251 -2.312551 ESP Fit Center 4843 is at -3.671869 -1.727373 -2.312551 ESP Fit Center 4844 is at -3.372372 -2.026870 -2.312551 ESP Fit Center 4845 is at -2.755861 -0.959043 -2.414722 ESP Fit Center 4846 is at -3.378029 -1.318251 -2.414722 ESP Fit Center 4847 is at -3.170640 -1.677460 -2.414722 ESP Fit Center 4848 is at -2.963250 -1.318251 -2.449092 ESP Fit Center 4849 is at -1.402355 -2.384160 3.067628 ESP Fit Center 4850 is at -0.980960 -2.384160 3.026125 ESP Fit Center 4851 is at -1.191658 -2.019221 3.026125 ESP Fit Center 4852 is at -1.613053 -2.019221 3.026125 ESP Fit Center 4853 is at -1.823751 -2.384160 3.026125 ESP Fit Center 4854 is at -1.613053 -2.749098 3.026125 ESP Fit Center 4855 is at -1.191658 -2.749098 3.026125 ESP Fit Center 4856 is at -0.575759 -2.384160 2.903208 ESP Fit Center 4857 is at -0.686502 -1.970862 2.903208 ESP Fit Center 4858 is at -0.989057 -1.668306 2.903208 ESP Fit Center 4859 is at -1.402355 -1.557563 2.903208 ESP Fit Center 4860 is at -1.815654 -1.668306 2.903208 ESP Fit Center 4861 is at -2.118209 -1.970862 2.903208 ESP Fit Center 4862 is at -2.228952 -2.384160 2.903208 ESP Fit Center 4863 is at -2.118209 -2.797458 2.903208 ESP Fit Center 4864 is at -1.815654 -3.100013 2.903208 ESP Fit Center 4865 is at -1.402355 -3.210756 2.903208 ESP Fit Center 4866 is at -0.989057 -3.100013 2.903208 ESP Fit Center 4867 is at -0.686502 -2.797458 2.903208 ESP Fit Center 4868 is at -0.202324 -2.384160 2.703603 ESP Fit Center 4869 is at -0.274694 -1.973725 2.703603 ESP Fit Center 4870 is at -0.483078 -1.612794 2.703603 ESP Fit Center 4871 is at -0.802340 -1.344902 2.703603 ESP Fit Center 4872 is at -1.193972 -1.202359 2.703603 ESP Fit Center 4873 is at -1.610739 -1.202359 2.703603 ESP Fit Center 4874 is at -2.002371 -1.344902 2.703603 ESP Fit Center 4875 is at -2.321633 -1.612794 2.703603 ESP Fit Center 4876 is at -2.530016 -1.973725 2.703603 ESP Fit Center 4877 is at -2.602387 -2.384160 2.703603 ESP Fit Center 4878 is at -2.530016 -2.794595 2.703603 ESP Fit Center 4879 is at -2.321633 -3.155525 2.703603 ESP Fit Center 4880 is at -2.002371 -3.423418 2.703603 ESP Fit Center 4881 is at -1.610739 -3.565960 2.703603 ESP Fit Center 4882 is at -1.193972 -3.565960 2.703603 ESP Fit Center 4883 is at -0.802340 -3.423418 2.703603 ESP Fit Center 4884 is at -0.483078 -3.155525 2.703603 ESP Fit Center 4885 is at -0.274694 -2.794595 2.703603 ESP Fit Center 4886 is at 0.124995 -2.384160 2.434979 ESP Fit Center 4887 is at 0.068357 -1.972085 2.434979 ESP Fit Center 4888 is at -2.915480 -2.592134 2.434979 ESP Fit Center 4889 is at -2.803259 -2.992658 2.434979 ESP Fit Center 4890 is at -2.587139 -3.348052 2.434979 ESP Fit Center 4891 is at -2.283148 -3.631959 2.434979 ESP Fit Center 4892 is at -1.913834 -3.823322 2.434979 ESP Fit Center 4893 is at -1.506586 -3.907950 2.434979 ESP Fit Center 4894 is at -1.091607 -3.879564 2.434979 ESP Fit Center 4895 is at -0.699675 -3.740272 2.434979 ESP Fit Center 4896 is at -0.359857 -3.500402 2.434979 ESP Fit Center 4897 is at -0.097357 -3.177747 2.434979 ESP Fit Center 4898 is at 0.068357 -2.796234 2.434979 ESP Fit Center 4899 is at -3.090019 -2.998419 2.107660 ESP Fit Center 4900 is at -2.902870 -3.371064 2.107660 ESP Fit Center 4901 is at -2.634828 -3.690504 2.107660 ESP Fit Center 4902 is at -2.300343 -3.939519 2.107660 ESP Fit Center 4903 is at -1.917447 -4.104684 2.107660 ESP Fit Center 4904 is at -1.506782 -4.177095 2.107660 ESP Fit Center 4905 is at -1.090488 -4.152849 2.107660 ESP Fit Center 4906 is at -0.691006 -4.033252 2.107660 ESP Fit Center 4907 is at -0.329874 -3.824752 2.107660 ESP Fit Center 4908 is at -0.026559 -3.538590 2.107660 ESP Fit Center 4909 is at 0.202586 -3.190191 2.107660 ESP Fit Center 4910 is at 0.345208 -2.798340 2.107660 ESP Fit Center 4911 is at -3.225408 -3.195835 1.734225 ESP Fit Center 4912 is at -3.016813 -3.557132 1.734225 ESP Fit Center 4913 is at -2.737659 -3.867164 1.734225 ESP Fit Center 4914 is at -2.400145 -4.112382 1.734225 ESP Fit Center 4915 is at -2.019023 -4.282069 1.734225 ESP Fit Center 4916 is at -1.610950 -4.368807 1.734225 ESP Fit Center 4917 is at -1.193761 -4.368807 1.734225 ESP Fit Center 4918 is at -0.785687 -4.282069 1.734225 ESP Fit Center 4919 is at -0.404566 -4.112382 1.734225 ESP Fit Center 4920 is at -0.067052 -3.867164 1.734225 ESP Fit Center 4921 is at 0.212103 -3.557132 1.734225 ESP Fit Center 4922 is at 0.420697 -3.195835 1.734225 ESP Fit Center 4923 is at -3.163821 -3.561133 1.329024 ESP Fit Center 4924 is at -2.900358 -3.882163 1.329024 ESP Fit Center 4925 is at -2.579329 -4.145625 1.329024 ESP Fit Center 4926 is at -2.213069 -4.341395 1.329024 ESP Fit Center 4927 is at -1.815654 -4.461950 1.329024 ESP Fit Center 4928 is at -1.402355 -4.502656 1.329024 ESP Fit Center 4929 is at -0.989057 -4.461950 1.329024 ESP Fit Center 4930 is at -0.591642 -4.341395 1.329024 ESP Fit Center 4931 is at -0.225382 -4.145625 1.329024 ESP Fit Center 4932 is at 0.095648 -3.882163 1.329024 ESP Fit Center 4933 is at 0.359110 -3.561133 1.329024 ESP Fit Center 4934 is at -2.816855 -4.016579 0.907628 ESP Fit Center 4935 is at -2.482355 -4.254774 0.907628 ESP Fit Center 4936 is at -2.108822 -4.425361 0.907628 ESP Fit Center 4937 is at -1.709755 -4.522174 0.907628 ESP Fit Center 4938 is at -1.299578 -4.541713 0.907628 ESP Fit Center 4939 is at -0.893116 -4.483273 0.907628 ESP Fit Center 4940 is at -0.505059 -4.348965 0.907628 ESP Fit Center 4941 is at -0.149432 -4.143644 0.907628 ESP Fit Center 4942 is at 0.160910 -3.874730 0.907628 ESP Fit Center 4943 is at -1.815654 -4.461950 0.486233 ESP Fit Center 4944 is at -1.402355 -4.502656 0.486233 ESP Fit Center 4945 is at -0.989057 -4.461950 0.486233 ESP Fit Center 4946 is at -0.591642 -4.341395 0.486233 ESP Fit Center 4947 is at -0.225382 -4.145625 0.486233 ESP Fit Center 4948 is at 0.095648 -3.882163 0.486233 ESP Fit Center 4949 is at 5.923035 0.185323 -0.780508 ESP Fit Center 4950 is at 2.806823 0.953582 -2.921773 ESP Fit Center 4951 is at 3.419063 0.477489 -3.058891 ESP Fit Center 4952 is at 3.014368 0.585927 -3.058891 ESP Fit Center 4953 is at 2.609673 0.477489 -3.058891 ESP Fit Center 4954 is at 2.313415 0.181232 -3.058891 ESP Fit Center 4955 is at 3.520158 -0.418422 4.269025 ESP Fit Center 4956 is at 3.928658 -0.418422 4.241083 ESP Fit Center 4957 is at 3.724408 -0.064651 4.241083 ESP Fit Center 4958 is at 3.315908 -0.064651 4.241083 ESP Fit Center 4959 is at 3.111658 -0.418422 4.241083 ESP Fit Center 4960 is at 3.315908 -0.772194 4.241083 ESP Fit Center 4961 is at 3.724408 -0.772194 4.241083 ESP Fit Center 4962 is at 4.329548 -0.418422 4.157777 ESP Fit Center 4963 is at 4.221110 -0.013727 4.157777 ESP Fit Center 4964 is at 2.819205 -0.013727 4.157777 ESP Fit Center 4965 is at 2.710768 -0.418422 4.157777 ESP Fit Center 4966 is at 2.819205 -0.823118 4.157777 ESP Fit Center 4967 is at 3.115463 -1.119375 4.157777 ESP Fit Center 4968 is at 3.520158 -1.227813 4.157777 ESP Fit Center 4969 is at 3.924853 -1.119375 4.157777 ESP Fit Center 4970 is at 4.221110 -0.823118 4.157777 ESP Fit Center 4971 is at 4.715361 -0.418422 4.020659 ESP Fit Center 4972 is at 4.643282 -0.009639 4.020659 ESP Fit Center 4973 is at 4.435737 0.349839 4.020659 ESP Fit Center 4974 is at 2.397034 -0.009639 4.020659 ESP Fit Center 4975 is at 2.324955 -0.418422 4.020659 ESP Fit Center 4976 is at 3.727703 -1.595468 4.020659 ESP Fit Center 4977 is at 4.117760 -1.453499 4.020659 ESP Fit Center 4978 is at 4.435737 -1.186684 4.020659 ESP Fit Center 4979 is at 4.643282 -0.827206 4.020659 ESP Fit Center 4980 is at 5.078910 -0.418422 3.832283 ESP Fit Center 4981 is at 5.021107 0.002124 3.832283 ESP Fit Center 4982 is at 4.851986 0.391480 3.832283 ESP Fit Center 4983 is at 1.975924 -0.206172 3.832283 ESP Fit Center 4984 is at 4.237285 -1.802415 3.832283 ESP Fit Center 4985 is at 4.584089 -1.557614 3.832283 ESP Fit Center 4986 is at 4.851986 -1.228325 3.832283 ESP Fit Center 4987 is at 5.021107 -0.838969 3.832283 ESP Fit Center 4988 is at 5.413422 -0.418422 3.596159 ESP Fit Center 4989 is at 5.369158 -0.011427 3.596159 ESP Fit Center 4990 is at 5.238438 0.376538 3.596159 ESP Fit Center 4991 is at 5.027372 0.727332 3.596159 ESP Fit Center 4992 is at 1.726000 0.186100 3.596159 ESP Fit Center 4993 is at 1.637992 -0.213725 3.596159 ESP Fit Center 4994 is at 4.406979 -2.091144 3.596159 ESP Fit Center 4995 is at 4.745831 -1.861396 3.596159 ESP Fit Center 4996 is at 5.027372 -1.564177 3.596159 ESP Fit Center 4997 is at 5.238438 -1.213383 3.596159 ESP Fit Center 4998 is at 5.369158 -0.825418 3.596159 ESP Fit Center 4999 is at 5.673044 -0.003488 3.316684 ESP Fit Center 5000 is at 5.555612 0.396450 3.316684 ESP Fit Center 5001 is at 5.364613 0.766937 3.316684 ESP Fit Center 5002 is at 1.416462 0.199278 3.316684 ESP Fit Center 5003 is at 1.337578 -0.210011 3.316684 ESP Fit Center 5004 is at 4.430959 -2.412798 3.316684 ESP Fit Center 5005 is at 4.791937 -2.204387 3.316684 ESP Fit Center 5006 is at 5.106950 -1.931426 3.316684 ESP Fit Center 5007 is at 5.364613 -1.603782 3.316684 ESP Fit Center 5008 is at 5.659837 0.776874 2.999066 ESP Fit Center 5009 is at 5.427053 1.121288 2.999066 ESP Fit Center 5010 is at 1.148332 0.199153 2.999066 ESP Fit Center 5011 is at 1.078078 -0.210571 2.999066 ESP Fit Center 5012 is at 4.433995 -2.692595 2.999066 ESP Fit Center 5013 is at 4.805188 -2.505443 2.999066 ESP Fit Center 5014 is at 5.139412 -2.258252 2.999066 ESP Fit Center 5015 is at 5.675101 1.147235 2.649220 ESP Fit Center 5016 is at 5.403647 1.465067 2.649220 ESP Fit Center 5017 is at 4.729432 -2.791757 2.649220 ESP Fit Center 5018 is at 5.085815 -2.573365 2.649220 ESP Fit Center 5019 is at 5.877689 1.141305 2.273664 ESP Fit Center 5020 is at 5.625467 1.467943 2.273664 ESP Fit Center 5021 is at 4.625726 -3.020041 2.273664 ESP Fit Center 5022 is at 4.992743 -2.831345 2.273664 ESP Fit Center 5023 is at 5.770224 1.469607 1.879393 ESP Fit Center 5024 is at 5.485563 1.764381 1.879393 ESP Fit Center 5025 is at 4.427819 -3.211915 1.879393 ESP Fit Center 5026 is at 4.807765 -3.058407 1.879393 ESP Fit Center 5027 is at 5.812934 1.505445 1.473752 ESP Fit Center 5028 is at 5.522870 1.805815 1.473752 ESP Fit Center 5029 is at 5.193826 2.062892 1.473752 ESP Fit Center 5030 is at 4.445048 -3.264941 1.473752 ESP Fit Center 5031 is at 4.832205 -3.108519 1.473752 ESP Fit Center 5032 is at 5.812934 1.505445 1.064297 ESP Fit Center 5033 is at 5.522870 1.805815 1.064297 ESP Fit Center 5034 is at 5.193826 2.062892 1.064297 ESP Fit Center 5035 is at 4.832205 2.271674 1.064297 ESP Fit Center 5036 is at 4.039888 -3.365958 1.064297 ESP Fit Center 5037 is at 4.445048 -3.264941 1.064297 ESP Fit Center 5038 is at 4.832205 -3.108519 1.064297 ESP Fit Center 5039 is at 5.770224 1.469607 0.658657 ESP Fit Center 5040 is at 5.485563 1.764381 0.658657 ESP Fit Center 5041 is at 5.162648 2.016670 0.658657 ESP Fit Center 5042 is at 4.807765 2.221562 0.658657 ESP Fit Center 5043 is at 5.877689 1.141305 0.264386 ESP Fit Center 5044 is at 5.625467 1.467943 0.264386 ESP Fit Center 5045 is at 2.919128 -3.603957 0.857818 ESP Fit Center 5046 is at 3.334836 -3.623759 0.857818 ESP Fit Center 5047 is at 3.746780 -3.564531 0.857818 ESP Fit Center 5048 is at 4.140070 -3.428412 0.857818 ESP Fit Center 5049 is at 2.520616 -3.755692 0.512047 ESP Fit Center 5050 is at 2.922671 -3.842342 0.512047 ESP Fit Center 5051 is at 3.333588 -3.859797 0.512047 ESP Fit Center 5052 is at 3.741543 -3.807556 0.512047 ESP Fit Center 5053 is at 4.134802 -3.687122 0.512047 ESP Fit Center 5054 is at 2.425237 -3.915989 0.135002 ESP Fit Center 5055 is at 2.822935 -4.011468 0.135002 ESP Fit Center 5056 is at 3.230673 -4.043557 0.135002 ESP Fit Center 5057 is at 3.638411 -4.011468 0.135002 ESP Fit Center 5058 is at 4.036110 -3.915989 0.135002 ESP Fit Center 5059 is at 2.507327 -4.069328 -0.264895 ESP Fit Center 5060 is at 2.917611 -4.148898 -0.264895 ESP Fit Center 5061 is at 3.335232 -4.164906 -0.264895 ESP Fit Center 5062 is at 3.750403 -4.116976 -0.264895 ESP Fit Center 5063 is at 4.153391 -4.006233 -0.264895 ESP Fit Center 5064 is at 2.210579 -4.036269 -0.678709 ESP Fit Center 5065 is at 2.609357 -4.159276 -0.678709 ESP Fit Center 5066 is at 3.022014 -4.221474 -0.678709 ESP Fit Center 5067 is at 3.439332 -4.221474 -0.678709 ESP Fit Center 5068 is at 3.851990 -4.159276 -0.678709 ESP Fit Center 5069 is at 2.210579 -4.036269 -1.097197 ESP Fit Center 5070 is at 2.609357 -4.159276 -1.097197 ESP Fit Center 5071 is at 3.022014 -4.221474 -1.097197 ESP Fit Center 5072 is at 3.439332 -4.221474 -1.097197 ESP Fit Center 5073 is at 3.851990 -4.159276 -1.097197 ESP Fit Center 5074 is at 1.746844 -3.728409 -1.511012 ESP Fit Center 5075 is at 2.113999 -3.928062 -1.511012 ESP Fit Center 5076 is at 2.507327 -4.069328 -1.511012 ESP Fit Center 5077 is at 2.917611 -4.148898 -1.511012 ESP Fit Center 5078 is at 3.335232 -4.164906 -1.511012 ESP Fit Center 5079 is at 3.750403 -4.116976 -1.511012 ESP Fit Center 5080 is at 4.153391 -4.006233 -1.511012 ESP Fit Center 5081 is at 1.698643 -3.545770 -1.910908 ESP Fit Center 5082 is at 2.047371 -3.759472 -1.910908 ESP Fit Center 5083 is at 2.425237 -3.915989 -1.910908 ESP Fit Center 5084 is at 2.822935 -4.011468 -1.910908 ESP Fit Center 5085 is at 3.230673 -4.043557 -1.910908 ESP Fit Center 5086 is at 3.638411 -4.011468 -1.910908 ESP Fit Center 5087 is at 4.036110 -3.915989 -1.910908 ESP Fit Center 5088 is at 1.480023 -3.114973 -2.287953 ESP Fit Center 5089 is at 1.788764 -3.386700 -2.287953 ESP Fit Center 5090 is at 2.138987 -3.602341 -2.287953 ESP Fit Center 5091 is at 2.520616 -3.755692 -2.287953 ESP Fit Center 5092 is at 2.922671 -3.842342 -2.287953 ESP Fit Center 5093 is at 3.333588 -3.859797 -2.287953 ESP Fit Center 5094 is at 3.741543 -3.807556 -2.287953 ESP Fit Center 5095 is at 4.134802 -3.687122 -2.287953 ESP Fit Center 5096 is at 4.815020 0.073561 -2.633725 ESP Fit Center 5097 is at 1.284899 -2.440227 -2.633725 ESP Fit Center 5098 is at 1.509902 -2.790340 -2.633725 ESP Fit Center 5099 is at 1.797099 -3.091544 -2.633725 ESP Fit Center 5100 is at 2.136109 -3.332951 -2.633725 ESP Fit Center 5101 is at 2.514680 -3.505839 -2.633725 ESP Fit Center 5102 is at 2.919128 -3.603957 -2.633725 ESP Fit Center 5103 is at 3.334836 -3.623759 -2.633725 ESP Fit Center 5104 is at 3.746780 -3.564531 -2.633725 ESP Fit Center 5105 is at 4.140070 -3.428412 -2.633725 ESP Fit Center 5106 is at 4.959136 -0.637439 -2.940498 ESP Fit Center 5107 is at 4.746820 -0.284566 -2.940498 ESP Fit Center 5108 is at 4.463610 0.014414 -2.940498 ESP Fit Center 5109 is at 4.122750 0.245523 -2.940498 ESP Fit Center 5110 is at 1.337354 -1.643022 -2.940498 ESP Fit Center 5111 is at 1.425883 -2.045215 -2.940498 ESP Fit Center 5112 is at 1.598803 -2.418975 -2.940498 ESP Fit Center 5113 is at 1.848027 -2.746823 -2.940498 ESP Fit Center 5114 is at 2.161902 -3.013431 -2.940498 ESP Fit Center 5115 is at 2.525751 -3.206332 -2.940498 ESP Fit Center 5116 is at 2.922562 -3.316506 -2.940498 ESP Fit Center 5117 is at 3.333780 -3.338801 -2.940498 ESP Fit Center 5118 is at 3.740177 -3.272176 -2.940498 ESP Fit Center 5119 is at 4.122750 -3.119745 -2.940498 ESP Fit Center 5120 is at 4.463610 -2.888636 -2.940498 ESP Fit Center 5121 is at 4.754224 -1.028877 -3.201422 ESP Fit Center 5122 is at 4.596652 -0.648463 -3.201422 ESP Fit Center 5123 is at 4.345990 -0.321794 -3.201422 ESP Fit Center 5124 is at 4.019321 -0.071132 -3.201422 ESP Fit Center 5125 is at 3.638908 0.086440 -3.201422 ESP Fit Center 5126 is at 3.230673 0.140185 -3.201422 ESP Fit Center 5127 is at 2.822439 0.086440 -3.201422 ESP Fit Center 5128 is at 2.442025 -0.071132 -3.201422 ESP Fit Center 5129 is at 2.115357 -0.321794 -3.201422 ESP Fit Center 5130 is at 1.864695 -0.648463 -3.201422 ESP Fit Center 5131 is at 1.707122 -1.028877 -3.201422 ESP Fit Center 5132 is at 1.653377 -1.437111 -3.201422 ESP Fit Center 5133 is at 1.707122 -1.845345 -3.201422 ESP Fit Center 5134 is at 1.864695 -2.225759 -3.201422 ESP Fit Center 5135 is at 2.115357 -2.552428 -3.201422 ESP Fit Center 5136 is at 2.442025 -2.803089 -3.201422 ESP Fit Center 5137 is at 2.822439 -2.960662 -3.201422 ESP Fit Center 5138 is at 3.230673 -3.014407 -3.201422 ESP Fit Center 5139 is at 3.638908 -2.960662 -3.201422 ESP Fit Center 5140 is at 4.019321 -2.803089 -3.201422 ESP Fit Center 5141 is at 4.345990 -2.552428 -3.201422 ESP Fit Center 5142 is at 4.596652 -2.225759 -3.201422 ESP Fit Center 5143 is at 4.445548 -1.437111 -3.410666 ESP Fit Center 5144 is at 4.372282 -1.021599 -3.410666 ESP Fit Center 5145 is at 4.161321 -0.656205 -3.410666 ESP Fit Center 5146 is at 3.838111 -0.384999 -3.410666 ESP Fit Center 5147 is at 3.441634 -0.240693 -3.410666 ESP Fit Center 5148 is at 3.019713 -0.240693 -3.410666 ESP Fit Center 5149 is at 2.623236 -0.384999 -3.410666 ESP Fit Center 5150 is at 2.300025 -0.656205 -3.410666 ESP Fit Center 5151 is at 2.089065 -1.021599 -3.410666 ESP Fit Center 5152 is at 2.015799 -1.437111 -3.410666 ESP Fit Center 5153 is at 2.089065 -1.852622 -3.410666 ESP Fit Center 5154 is at 2.300025 -2.218017 -3.410666 ESP Fit Center 5155 is at 2.623236 -2.489223 -3.410666 ESP Fit Center 5156 is at 3.019713 -2.633529 -3.410666 ESP Fit Center 5157 is at 3.441634 -2.633529 -3.410666 ESP Fit Center 5158 is at 3.838111 -2.489223 -3.410666 ESP Fit Center 5159 is at 4.161321 -2.218017 -3.410666 ESP Fit Center 5160 is at 4.372282 -1.852622 -3.410666 ESP Fit Center 5161 is at 4.055988 -1.437111 -3.563557 ESP Fit Center 5162 is at 3.945417 -1.024454 -3.563557 ESP Fit Center 5163 is at 3.643331 -0.722368 -3.563557 ESP Fit Center 5164 is at 3.230673 -0.611796 -3.563557 ESP Fit Center 5165 is at 2.818016 -0.722368 -3.563557 ESP Fit Center 5166 is at 2.515930 -1.024454 -3.563557 ESP Fit Center 5167 is at 2.405359 -1.437111 -3.563557 ESP Fit Center 5168 is at 2.515930 -1.849768 -3.563557 ESP Fit Center 5169 is at 2.818016 -2.151854 -3.563557 ESP Fit Center 5170 is at 3.230673 -2.262425 -3.563557 ESP Fit Center 5171 is at 3.643331 -2.151854 -3.563557 ESP Fit Center 5172 is at 3.945417 -1.849768 -3.563557 ESP Fit Center 5173 is at 3.647992 -1.437111 -3.656680 ESP Fit Center 5174 is at 3.439332 -1.075703 -3.656680 ESP Fit Center 5175 is at 3.022014 -1.075703 -3.656680 ESP Fit Center 5176 is at 2.813355 -1.437111 -3.656680 ESP Fit Center 5177 is at 3.022014 -1.798519 -3.656680 ESP Fit Center 5178 is at 3.439332 -1.798519 -3.656680 ESP Fit Center 5179 is at 3.230673 -1.437111 -3.687953 ESP Fit Center 5180 is at -2.387594 1.028154 3.001602 ESP Fit Center 5181 is at -1.979094 1.028154 2.973660 ESP Fit Center 5182 is at -2.183344 1.381925 2.973660 ESP Fit Center 5183 is at -2.591844 1.381925 2.973660 ESP Fit Center 5184 is at -2.796094 1.028154 2.973660 ESP Fit Center 5185 is at -2.591844 0.674382 2.973660 ESP Fit Center 5186 is at -2.183344 0.674382 2.973660 ESP Fit Center 5187 is at -1.686641 1.432849 2.890354 ESP Fit Center 5188 is at -1.982898 1.729106 2.890354 ESP Fit Center 5189 is at -2.387594 1.837544 2.890354 ESP Fit Center 5190 is at -2.792289 1.729106 2.890354 ESP Fit Center 5191 is at -3.088546 1.432849 2.890354 ESP Fit Center 5192 is at -3.196984 1.028154 2.890354 ESP Fit Center 5193 is at -1.982898 0.327201 2.890354 ESP Fit Center 5194 is at -1.686641 0.623459 2.890354 ESP Fit Center 5195 is at -1.472015 1.796416 2.753236 ESP Fit Center 5196 is at -1.789992 2.063230 2.753236 ESP Fit Center 5197 is at -2.180049 2.205199 2.753236 ESP Fit Center 5198 is at -2.595138 2.205199 2.753236 ESP Fit Center 5199 is at -2.985195 2.063230 2.753236 ESP Fit Center 5200 is at -3.303172 1.796416 2.753236 ESP Fit Center 5201 is at -3.510717 1.436937 2.753236 ESP Fit Center 5202 is at -1.670466 2.412147 2.564860 ESP Fit Center 5203 is at -2.070456 2.554303 2.564860 ESP Fit Center 5204 is at -2.493967 2.583272 2.564860 ESP Fit Center 5205 is at -2.909588 2.496905 2.564860 ESP Fit Center 5206 is at -3.286495 2.301607 2.564860 ESP Fit Center 5207 is at -3.596735 2.011863 2.564860 ESP Fit Center 5208 is at -3.817298 1.649162 2.564860 ESP Fit Center 5209 is at -1.881092 2.852408 2.328736 ESP Fit Center 5210 is at -2.285094 2.918641 2.328736 ESP Fit Center 5211 is at -2.693890 2.896477 2.328736 ESP Fit Center 5212 is at -3.088363 2.786952 2.328736 ESP Fit Center 5213 is at -3.450069 2.595187 2.328736 ESP Fit Center 5214 is at -3.762095 2.330150 2.328736 ESP Fit Center 5215 is at -4.009850 2.004233 2.328736 ESP Fit Center 5216 is at -1.870690 3.158858 2.049261 ESP Fit Center 5217 is at -2.283270 3.218178 2.049261 ESP Fit Center 5218 is at -3.483848 2.926921 2.049261 ESP Fit Center 5219 is at -3.823381 2.685141 2.049261 ESP Fit Center 5220 is at -4.111021 2.383472 2.049261 ESP Fit Center 5221 is at -1.871238 3.424053 1.731643 ESP Fit Center 5222 is at -2.283270 3.218178 -2.046057 ESP Fit Center 5223 is at -3.823381 2.685141 -2.046057 ESP Fit Center 5224 is at -4.111021 2.383472 -2.046057 ESP Fit Center 5225 is at -1.881092 2.852408 -2.325532 ESP Fit Center 5226 is at -2.285094 2.918641 -2.325532 ESP Fit Center 5227 is at -2.693890 2.896477 -2.325532 ESP Fit Center 5228 is at -3.088363 2.786952 -2.325532 ESP Fit Center 5229 is at -3.450069 2.595187 -2.325532 ESP Fit Center 5230 is at -3.762095 2.330150 -2.325532 ESP Fit Center 5231 is at -4.009850 2.004233 -2.325532 ESP Fit Center 5232 is at -2.070456 2.554303 -2.561656 ESP Fit Center 5233 is at -2.493967 2.583272 -2.561656 ESP Fit Center 5234 is at -2.909588 2.496905 -2.561656 ESP Fit Center 5235 is at -3.286495 2.301607 -2.561656 ESP Fit Center 5236 is at -3.596735 2.011863 -2.561656 ESP Fit Center 5237 is at -3.817298 1.649162 -2.561656 ESP Fit Center 5238 is at -1.789992 2.063230 -2.750032 ESP Fit Center 5239 is at -2.180049 2.205199 -2.750032 ESP Fit Center 5240 is at -2.595138 2.205199 -2.750032 ESP Fit Center 5241 is at -2.985195 2.063230 -2.750032 ESP Fit Center 5242 is at -3.303172 1.796416 -2.750032 ESP Fit Center 5243 is at -3.510717 1.436937 -2.750032 ESP Fit Center 5244 is at -2.180049 -0.148892 -2.750032 ESP Fit Center 5245 is at -1.686641 1.432849 -2.887150 ESP Fit Center 5246 is at -1.982898 1.729106 -2.887150 ESP Fit Center 5247 is at -2.387594 1.837544 -2.887150 ESP Fit Center 5248 is at -2.792289 1.729106 -2.887150 ESP Fit Center 5249 is at -3.088546 1.432849 -2.887150 ESP Fit Center 5250 is at -3.196984 1.028154 -2.887150 ESP Fit Center 5251 is at -3.088546 0.623459 -2.887150 ESP Fit Center 5252 is at -2.792289 0.327201 -2.887150 ESP Fit Center 5253 is at -2.387594 0.218763 -2.887150 ESP Fit Center 5254 is at -1.982898 0.327201 -2.887150 ESP Fit Center 5255 is at -1.979094 1.028154 -2.970456 ESP Fit Center 5256 is at -2.183344 1.381925 -2.970456 ESP Fit Center 5257 is at -2.591844 1.381925 -2.970456 ESP Fit Center 5258 is at -2.796094 1.028154 -2.970456 ESP Fit Center 5259 is at -2.591844 0.674382 -2.970456 ESP Fit Center 5260 is at -2.183344 0.674382 -2.970456 ESP Fit Center 5261 is at -2.387594 1.028154 -2.998398 ESP Fit Center 5262 is at -1.041376 0.733971 2.958604 ESP Fit Center 5263 is at -0.632876 0.733971 2.930662 ESP Fit Center 5264 is at -0.837126 1.087742 2.930662 ESP Fit Center 5265 is at -1.245626 1.087742 2.930662 ESP Fit Center 5266 is at -1.449876 0.733971 2.930662 ESP Fit Center 5267 is at -1.245626 0.380200 2.930662 ESP Fit Center 5268 is at -0.837126 0.380200 2.930662 ESP Fit Center 5269 is at -0.231986 0.733971 2.847356 ESP Fit Center 5270 is at -1.041376 1.543361 2.847356 ESP Fit Center 5271 is at -1.446071 1.434923 2.847356 ESP Fit Center 5272 is at -1.742329 0.329276 2.847356 ESP Fit Center 5273 is at -1.446071 0.033018 2.847356 ESP Fit Center 5274 is at -0.340423 0.329276 2.847356 ESP Fit Center 5275 is at -1.248921 1.911016 2.710238 ESP Fit Center 5276 is at -1.956955 -0.034291 -2.793030 ESP Fit Center 5277 is at 0.081748 0.325187 -2.793030 ESP Fit Center 5278 is at -1.446071 1.434923 -2.930148 ESP Fit Center 5279 is at -1.742329 1.138666 -2.930148 ESP Fit Center 5280 is at -1.742329 0.329276 -2.930148 ESP Fit Center 5281 is at -1.446071 0.033018 -2.930148 ESP Fit Center 5282 is at -0.340423 0.329276 -2.930148 ESP Fit Center 5283 is at -0.632876 0.733971 -3.013454 ESP Fit Center 5284 is at -0.837126 1.087742 -3.013454 ESP Fit Center 5285 is at -1.245626 1.087742 -3.013454 ESP Fit Center 5286 is at -1.449876 0.733971 -3.013454 ESP Fit Center 5287 is at -1.245626 0.380200 -3.013454 ESP Fit Center 5288 is at -0.837126 0.380200 -3.013454 ESP Fit Center 5289 is at -1.041376 0.733971 -3.041396 ESP Fit Center 5290 is at -0.188502 1.677815 2.907918 ESP Fit Center 5291 is at 0.219998 1.677815 2.879976 ESP Fit Center 5292 is at 0.015748 2.031587 2.879976 ESP Fit Center 5293 is at -0.392752 2.031587 2.879976 ESP Fit Center 5294 is at -0.597002 1.677815 2.879976 ESP Fit Center 5295 is at -0.392752 1.324044 2.879976 ESP Fit Center 5296 is at 0.015748 1.324044 2.879976 ESP Fit Center 5297 is at 0.512451 2.082510 2.796670 ESP Fit Center 5298 is at 0.216194 2.378768 2.796670 ESP Fit Center 5299 is at -0.188502 2.487206 2.796670 ESP Fit Center 5300 is at -0.593197 2.378768 2.796670 ESP Fit Center 5301 is at -0.889454 2.082510 2.796670 ESP Fit Center 5302 is at 0.216194 0.976863 2.796670 ESP Fit Center 5303 is at 0.512451 1.273120 2.796670 ESP Fit Center 5304 is at 0.727077 2.446077 2.659552 ESP Fit Center 5305 is at 0.409100 2.712892 2.659552 ESP Fit Center 5306 is at 0.019043 2.854861 2.659552 ESP Fit Center 5307 is at -0.396046 2.854861 2.659552 ESP Fit Center 5308 is at -0.786103 2.712892 2.659552 ESP Fit Center 5309 is at -1.104080 2.446077 2.659552 ESP Fit Center 5310 is at -1.311625 2.086599 2.659552 ESP Fit Center 5311 is at 0.528626 3.061808 2.471176 ESP Fit Center 5312 is at 0.128636 3.203964 2.471176 ESP Fit Center 5313 is at -0.294875 3.232933 2.471176 ESP Fit Center 5314 is at -0.710496 3.146566 2.471176 ESP Fit Center 5315 is at -1.087403 2.951269 2.471176 ESP Fit Center 5316 is at -1.397643 2.661525 2.471176 ESP Fit Center 5317 is at 0.698319 3.350537 2.235052 ESP Fit Center 5318 is at 0.318000 3.502070 2.235052 ESP Fit Center 5319 is at -0.086002 3.568302 2.235052 ESP Fit Center 5320 is at -0.494798 3.546138 2.235052 ESP Fit Center 5321 is at -0.889271 3.436613 2.235052 ESP Fit Center 5322 is at -1.250977 3.244849 2.235052 ESP Fit Center 5323 is at -1.563003 2.979812 2.235052 ESP Fit Center 5324 is at 0.722299 3.672191 1.955578 ESP Fit Center 5325 is at 0.328402 3.808520 1.955578 ESP Fit Center 5326 is at -0.084178 3.867840 1.955578 ESP Fit Center 5327 is at -0.500528 3.848007 1.955578 ESP Fit Center 5328 is at -0.905601 3.749737 1.955578 ESP Fit Center 5329 is at -1.284756 3.576583 1.955578 ESP Fit Center 5330 is at -1.624289 3.334802 1.955578 ESP Fit Center 5331 is at 0.327854 4.073715 1.637959 ESP Fit Center 5332 is at -0.084482 4.126517 1.637959 ESP Fit Center 5333 is at -0.499811 4.108874 1.637959 ESP Fit Center 5334 is at -0.906184 4.021294 1.637959 ESP Fit Center 5335 is at -1.291910 3.866296 1.637959 ESP Fit Center 5336 is at -1.645894 3.648340 1.637959 ESP Fit Center 5337 is at 0.228186 4.308677 1.288113 ESP Fit Center 5338 is at -0.188502 4.341471 1.288113 ESP Fit Center 5339 is at -0.605189 4.308677 1.288113 ESP Fit Center 5340 is at -1.011616 4.211102 1.288113 ESP Fit Center 5341 is at -1.397776 4.051150 1.288113 ESP Fit Center 5342 is at -1.754159 3.832758 1.288113 ESP Fit Center 5343 is at 0.120667 4.487640 0.912557 ESP Fit Center 5344 is at -0.291741 4.502712 0.912557 ESP Fit Center 5345 is at -0.701950 4.457576 0.912557 ESP Fit Center 5346 is at -1.101214 4.353195 0.912557 ESP Fit Center 5347 is at -1.481026 4.191792 0.912557 ESP Fit Center 5348 is at 0.321547 4.570444 0.518286 ESP Fit Center 5349 is at -0.085993 4.613278 0.518286 ESP Fit Center 5350 is at -0.495528 4.598977 0.518286 ESP Fit Center 5351 is at -0.899087 4.527819 0.518286 ESP Fit Center 5352 is at -1.288816 4.401188 0.518286 ESP Fit Center 5353 is at -1.657128 4.221550 0.518286 ESP Fit Center 5354 is at 0.331228 4.625351 0.112646 ESP Fit Center 5355 is at -0.084047 4.668998 0.112646 ESP Fit Center 5356 is at -0.501356 4.654426 0.112646 ESP Fit Center 5357 is at -0.912575 4.581916 0.112646 ESP Fit Center 5358 is at -1.309702 4.452882 0.112646 ESP Fit Center 5359 is at -1.685005 4.269835 0.112646 ESP Fit Center 5360 is at 0.331228 4.625351 -0.296809 ESP Fit Center 5361 is at -0.084047 4.668998 -0.296809 ESP Fit Center 5362 is at -0.501356 4.654426 -0.296809 ESP Fit Center 5363 is at -0.912575 4.581916 -0.296809 ESP Fit Center 5364 is at -1.309702 4.452882 -0.296809 ESP Fit Center 5365 is at -1.685005 4.269835 -0.296809 ESP Fit Center 5366 is at 0.321547 4.570444 -0.702450 ESP Fit Center 5367 is at -0.085993 4.613278 -0.702450 ESP Fit Center 5368 is at -0.495528 4.598977 -0.702450 ESP Fit Center 5369 is at -0.899087 4.527819 -0.702450 ESP Fit Center 5370 is at -1.288816 4.401188 -0.702450 ESP Fit Center 5371 is at -1.657128 4.221550 -0.702450 ESP Fit Center 5372 is at 0.120667 4.487640 -1.096721 ESP Fit Center 5373 is at -0.291741 4.502712 -1.096721 ESP Fit Center 5374 is at -0.701950 4.457576 -1.096721 ESP Fit Center 5375 is at -1.101214 4.353195 -1.096721 ESP Fit Center 5376 is at -1.481026 4.191792 -1.096721 ESP Fit Center 5377 is at -1.833290 3.976809 -1.096721 ESP Fit Center 5378 is at 0.228186 4.308677 -1.472277 ESP Fit Center 5379 is at -0.188502 4.341471 -1.472277 ESP Fit Center 5380 is at -0.605189 4.308677 -1.472277 ESP Fit Center 5381 is at -1.011616 4.211102 -1.472277 ESP Fit Center 5382 is at -1.397776 4.051150 -1.472277 ESP Fit Center 5383 is at -1.754159 3.832758 -1.472277 ESP Fit Center 5384 is at 0.327854 4.073715 -1.822123 ESP Fit Center 5385 is at -0.084482 4.126517 -1.822123 ESP Fit Center 5386 is at -0.499811 4.108874 -1.822123 ESP Fit Center 5387 is at -0.906184 4.021294 -1.822123 ESP Fit Center 5388 is at -1.291910 3.866296 -1.822123 ESP Fit Center 5389 is at -1.645894 3.648340 -1.822123 ESP Fit Center 5390 is at -1.957951 3.373695 -1.822123 ESP Fit Center 5391 is at 0.328402 3.808520 -2.139741 ESP Fit Center 5392 is at -0.084178 3.867840 -2.139741 ESP Fit Center 5393 is at -0.500528 3.848007 -2.139741 ESP Fit Center 5394 is at -0.905601 3.749737 -2.139741 ESP Fit Center 5395 is at -1.284756 3.576583 -2.139741 ESP Fit Center 5396 is at -1.624289 3.334802 -2.139741 ESP Fit Center 5397 is at 0.318000 3.502070 -2.419216 ESP Fit Center 5398 is at -0.086002 3.568302 -2.419216 ESP Fit Center 5399 is at -0.494798 3.546138 -2.419216 ESP Fit Center 5400 is at -0.889271 3.436613 -2.419216 ESP Fit Center 5401 is at -1.250977 3.244849 -2.419216 ESP Fit Center 5402 is at -1.563003 2.979812 -2.419216 ESP Fit Center 5403 is at 0.528626 3.061808 -2.655340 ESP Fit Center 5404 is at 0.128636 3.203964 -2.655340 ESP Fit Center 5405 is at -0.294875 3.232933 -2.655340 ESP Fit Center 5406 is at -0.710496 3.146566 -2.655340 ESP Fit Center 5407 is at -1.087403 2.951269 -2.655340 ESP Fit Center 5408 is at -1.397643 2.661525 -2.655340 ESP Fit Center 5409 is at -1.618206 2.298824 -2.655340 ESP Fit Center 5410 is at 0.409100 2.712892 -2.843716 ESP Fit Center 5411 is at 0.019043 2.854861 -2.843716 ESP Fit Center 5412 is at -0.396046 2.854861 -2.843716 ESP Fit Center 5413 is at -0.786103 2.712892 -2.843716 ESP Fit Center 5414 is at -1.104080 2.446077 -2.843716 ESP Fit Center 5415 is at -1.311625 2.086599 -2.843716 ESP Fit Center 5416 is at 0.019043 0.500770 -2.843716 ESP Fit Center 5417 is at 0.512451 2.082510 -2.980834 ESP Fit Center 5418 is at 0.216194 2.378768 -2.980834 ESP Fit Center 5419 is at -0.188502 2.487206 -2.980834 ESP Fit Center 5420 is at -0.593197 2.378768 -2.980834 ESP Fit Center 5421 is at -0.889454 2.082510 -2.980834 ESP Fit Center 5422 is at -0.997892 1.677815 -2.980834 ESP Fit Center 5423 is at -0.188502 0.868425 -2.980834 ESP Fit Center 5424 is at 0.216194 0.976863 -2.980834 ESP Fit Center 5425 is at 0.219998 1.677815 -3.064140 ESP Fit Center 5426 is at 0.015748 2.031587 -3.064140 ESP Fit Center 5427 is at -0.392752 2.031587 -3.064140 ESP Fit Center 5428 is at -0.597002 1.677815 -3.064140 ESP Fit Center 5429 is at -0.392752 1.324044 -3.064140 ESP Fit Center 5430 is at 0.015748 1.324044 -3.064140 ESP Fit Center 5431 is at -0.188502 1.677815 -3.092082 ESP Fit Center 5432 is at 1.179823 1.399836 2.863277 ESP Fit Center 5433 is at 1.384073 1.753607 2.835335 ESP Fit Center 5434 is at 0.975573 1.753607 2.835335 ESP Fit Center 5435 is at 0.771323 1.399836 2.835335 ESP Fit Center 5436 is at 0.975573 1.046065 2.835335 ESP Fit Center 5437 is at 1.584518 2.100789 2.752029 ESP Fit Center 5438 is at 1.179823 2.209226 2.752029 ESP Fit Center 5439 is at 0.775128 2.100789 2.752029 ESP Fit Center 5440 is at 0.478871 0.995141 2.752029 ESP Fit Center 5441 is at 0.775128 0.698884 2.752029 ESP Fit Center 5442 is at 1.777425 2.434913 2.614911 ESP Fit Center 5443 is at 1.387368 2.576882 2.614911 ESP Fit Center 5444 is at 0.972278 2.576882 2.614911 ESP Fit Center 5445 is at 1.073450 2.954954 2.426535 ESP Fit Center 5446 is at 2.375026 1.399836 -2.888357 ESP Fit Center 5447 is at 0.972278 2.576882 -2.888357 ESP Fit Center 5448 is at 0.264244 0.631574 -2.888357 ESP Fit Center 5449 is at 1.989214 1.399836 -3.025475 ESP Fit Center 5450 is at 1.880776 1.804531 -3.025475 ESP Fit Center 5451 is at 1.584518 2.100789 -3.025475 ESP Fit Center 5452 is at 1.179823 2.209226 -3.025475 ESP Fit Center 5453 is at 0.775128 2.100789 -3.025475 ESP Fit Center 5454 is at 0.478871 1.804531 -3.025475 ESP Fit Center 5455 is at 0.478871 0.995141 -3.025475 ESP Fit Center 5456 is at 0.775128 0.698884 -3.025475 ESP Fit Center 5457 is at 1.880776 0.995141 -3.025475 ESP Fit Center 5458 is at 1.588323 1.399836 -3.108781 ESP Fit Center 5459 is at 1.384073 1.753607 -3.108781 ESP Fit Center 5460 is at 0.975573 1.753607 -3.108781 ESP Fit Center 5461 is at 0.771323 1.399836 -3.108781 ESP Fit Center 5462 is at 0.975573 1.046065 -3.108781 ESP Fit Center 5463 is at 1.384073 1.046065 -3.108781 ESP Fit Center 5464 is at 1.179823 1.399836 -3.136723 ESP Fit Center 5465 is at 2.206941 2.686693 2.583791 ESP Fit Center 5466 is at 1.789622 2.686693 2.583791 ESP Fit Center 5467 is at 2.713025 2.737942 2.490669 ESP Fit Center 5468 is at 2.410939 3.040028 2.490669 ESP Fit Center 5469 is at 1.998282 3.150599 2.490669 ESP Fit Center 5470 is at 1.585624 3.040028 2.490669 ESP Fit Center 5471 is at 2.928929 3.106191 2.337778 ESP Fit Center 5472 is at 2.605719 3.377397 2.337778 ESP Fit Center 5473 is at 2.209242 3.521702 2.337778 ESP Fit Center 5474 is at 1.787321 3.521702 2.337778 ESP Fit Center 5475 is at 1.390844 3.377397 2.337778 ESP Fit Center 5476 is at 1.067634 3.106191 2.337778 ESP Fit Center 5477 is at 3.364260 3.113932 2.128534 ESP Fit Center 5478 is at 3.113598 3.440601 2.128534 ESP Fit Center 5479 is at 2.786930 3.691263 2.128534 ESP Fit Center 5480 is at 2.406516 3.848835 2.128534 ESP Fit Center 5481 is at 1.998282 3.902581 2.128534 ESP Fit Center 5482 is at 1.590047 3.848835 2.128534 ESP Fit Center 5483 is at 1.209634 3.691263 2.128534 ESP Fit Center 5484 is at 0.882965 3.440601 2.128534 ESP Fit Center 5485 is at 3.726744 3.124956 1.867610 ESP Fit Center 5486 is at 3.514428 3.477829 1.867610 ESP Fit Center 5487 is at 3.231218 3.776810 1.867610 ESP Fit Center 5488 is at 2.890358 4.007919 1.867610 ESP Fit Center 5489 is at 2.507785 4.160350 1.867610 ESP Fit Center 5490 is at 2.101388 4.226975 1.867610 ESP Fit Center 5491 is at 1.690170 4.204679 1.867610 ESP Fit Center 5492 is at 1.293360 4.094505 1.867610 ESP Fit Center 5493 is at 0.929510 3.901605 1.867610 ESP Fit Center 5494 is at 4.030598 3.138901 1.560836 ESP Fit Center 5495 is at 3.839893 3.508816 1.560836 ESP Fit Center 5496 is at 3.582628 3.835956 1.560836 ESP Fit Center 5497 is at 3.268101 4.108496 1.560836 ESP Fit Center 5498 is at 2.907678 4.316585 1.560836 ESP Fit Center 5499 is at 2.514388 4.452704 1.560836 ESP Fit Center 5500 is at 2.102445 4.511933 1.560836 ESP Fit Center 5501 is at 1.686736 4.492130 1.560836 ESP Fit Center 5502 is at 1.282288 4.394012 1.560836 ESP Fit Center 5503 is at 0.903718 4.221125 1.560836 ESP Fit Center 5504 is at 4.388273 2.735090 1.215065 ESP Fit Center 5505 is at 4.284638 3.133105 1.215065 ESP Fit Center 5506 is at 4.115228 3.507882 1.215065 ESP Fit Center 5507 is at 3.884918 3.848637 1.215065 ESP Fit Center 5508 is at 3.600333 4.145568 1.215065 ESP Fit Center 5509 is at 3.269659 4.390133 1.215065 ESP Fit Center 5510 is at 2.902411 4.575296 1.215065 ESP Fit Center 5511 is at 2.509152 4.695730 1.215065 ESP Fit Center 5512 is at 2.101196 4.747971 1.215065 ESP Fit Center 5513 is at 1.690280 4.730515 1.215065 ESP Fit Center 5514 is at 1.288224 4.643865 1.215065 ESP Fit Center 5515 is at 0.906596 4.490515 1.215065 ESP Fit Center 5516 is at 0.556373 4.274874 1.215065 ESP Fit Center 5517 is at 4.572638 2.733022 0.838020 ESP Fit Center 5518 is at 4.477160 3.130721 0.838020 ESP Fit Center 5519 is at 4.320642 3.508586 0.838020 ESP Fit Center 5520 is at 4.106941 3.857315 0.838020 ESP Fit Center 5521 is at 3.841318 4.168320 0.838020 ESP Fit Center 5522 is at 3.530312 4.433944 0.838020 ESP Fit Center 5523 is at 3.181584 4.647645 0.838020 ESP Fit Center 5524 is at 2.803718 4.804162 0.838020 ESP Fit Center 5525 is at 2.406020 4.899641 0.838020 ESP Fit Center 5526 is at 1.998282 4.931731 0.838020 ESP Fit Center 5527 is at 1.590544 4.899641 0.838020 ESP Fit Center 5528 is at 1.192845 4.804162 0.838020 ESP Fit Center 5529 is at 0.814980 4.647645 0.838020 ESP Fit Center 5530 is at 4.696088 2.741986 0.438124 ESP Fit Center 5531 is at 4.600861 3.148921 0.438124 ESP Fit Center 5532 is at 4.444633 3.536550 0.438124 ESP Fit Center 5533 is at 4.231064 3.895788 0.438124 ESP Fit Center 5534 is at 3.965160 4.218215 0.438124 ESP Fit Center 5535 is at 3.653155 4.496273 0.438124 ESP Fit Center 5536 is at 3.302360 4.723446 0.438124 ESP Fit Center 5537 is at 2.920999 4.894407 0.438124 ESP Fit Center 5538 is at 2.518011 5.005150 0.438124 ESP Fit Center 5539 is at 2.102840 5.053079 0.438124 ESP Fit Center 5540 is at 1.685219 5.037072 0.438124 ESP Fit Center 5541 is at 1.274936 4.957502 0.438124 ESP Fit Center 5542 is at 0.881607 4.816235 0.438124 ESP Fit Center 5543 is at 0.514452 4.616583 0.438124 ESP Fit Center 5544 is at 4.759266 2.741436 0.024309 ESP Fit Center 5545 is at 4.666404 3.148291 0.024309 ESP Fit Center 5546 is at 4.513940 3.536762 0.024309 ESP Fit Center 5547 is at 4.305281 3.898170 0.024309 ESP Fit Center 5548 is at 4.045088 4.224443 0.024309 ESP Fit Center 5549 is at 3.739172 4.508291 0.024309 ESP Fit Center 5550 is at 3.394367 4.743375 0.024309 ESP Fit Center 5551 is at 3.018376 4.924443 0.024309 ESP Fit Center 5552 is at 2.619598 5.047449 0.024309 ESP Fit Center 5553 is at 2.206941 5.109648 0.024309 ESP Fit Center 5554 is at 1.789622 5.109648 0.024309 ESP Fit Center 5555 is at 1.376965 5.047449 0.024309 ESP Fit Center 5556 is at 0.978187 4.924443 0.024309 ESP Fit Center 5557 is at 0.602196 4.743375 0.024309 ESP Fit Center 5558 is at 4.759266 2.741436 -0.394179 ESP Fit Center 5559 is at 4.666404 3.148291 -0.394179 ESP Fit Center 5560 is at 4.513940 3.536762 -0.394179 ESP Fit Center 5561 is at 4.305281 3.898170 -0.394179 ESP Fit Center 5562 is at 4.045088 4.224443 -0.394179 ESP Fit Center 5563 is at 3.739172 4.508291 -0.394179 ESP Fit Center 5564 is at 3.394367 4.743375 -0.394179 ESP Fit Center 5565 is at 3.018376 4.924443 -0.394179 ESP Fit Center 5566 is at 2.619598 5.047449 -0.394179 ESP Fit Center 5567 is at 2.206941 5.109648 -0.394179 ESP Fit Center 5568 is at 1.789622 5.109648 -0.394179 ESP Fit Center 5569 is at 1.376965 5.047449 -0.394179 ESP Fit Center 5570 is at 0.978187 4.924443 -0.394179 ESP Fit Center 5571 is at 0.602196 4.743375 -0.394179 ESP Fit Center 5572 is at 4.696088 2.741986 -0.807994 ESP Fit Center 5573 is at 4.600861 3.148921 -0.807994 ESP Fit Center 5574 is at 4.444633 3.536550 -0.807994 ESP Fit Center 5575 is at 4.231064 3.895788 -0.807994 ESP Fit Center 5576 is at 3.965160 4.218215 -0.807994 ESP Fit Center 5577 is at 3.653155 4.496273 -0.807994 ESP Fit Center 5578 is at 3.302360 4.723446 -0.807994 ESP Fit Center 5579 is at 2.920999 4.894407 -0.807994 ESP Fit Center 5580 is at 2.518011 5.005150 -0.807994 ESP Fit Center 5581 is at 2.102840 5.053079 -0.807994 ESP Fit Center 5582 is at 1.685219 5.037072 -0.807994 ESP Fit Center 5583 is at 1.274936 4.957502 -0.807994 ESP Fit Center 5584 is at 0.881607 4.816235 -0.807994 ESP Fit Center 5585 is at 0.514452 4.616583 -0.807994 ESP Fit Center 5586 is at 4.572638 2.733022 -1.207890 ESP Fit Center 5587 is at 4.477160 3.130721 -1.207890 ESP Fit Center 5588 is at 4.320642 3.508586 -1.207890 ESP Fit Center 5589 is at 4.106941 3.857315 -1.207890 ESP Fit Center 5590 is at 3.841318 4.168320 -1.207890 ESP Fit Center 5591 is at 3.530312 4.433944 -1.207890 ESP Fit Center 5592 is at 3.181584 4.647645 -1.207890 ESP Fit Center 5593 is at 2.803718 4.804162 -1.207890 ESP Fit Center 5594 is at 2.406020 4.899641 -1.207890 ESP Fit Center 5595 is at 1.998282 4.931731 -1.207890 ESP Fit Center 5596 is at 1.590544 4.899641 -1.207890 ESP Fit Center 5597 is at 1.192845 4.804162 -1.207890 ESP Fit Center 5598 is at 0.814980 4.647645 -1.207890 ESP Fit Center 5599 is at 0.466251 4.433944 -1.207890 ESP Fit Center 5600 is at 4.388273 2.735090 -1.584935 ESP Fit Center 5601 is at 4.284638 3.133105 -1.584935 ESP Fit Center 5602 is at 4.115228 3.507882 -1.584935 ESP Fit Center 5603 is at 3.884918 3.848637 -1.584935 ESP Fit Center 5604 is at 3.600333 4.145568 -1.584935 ESP Fit Center 5605 is at 3.269659 4.390133 -1.584935 ESP Fit Center 5606 is at 2.902411 4.575296 -1.584935 ESP Fit Center 5607 is at 2.509152 4.695730 -1.584935 ESP Fit Center 5608 is at 2.101196 4.747971 -1.584935 ESP Fit Center 5609 is at 1.690280 4.730515 -1.584935 ESP Fit Center 5610 is at 1.288224 4.643865 -1.584935 ESP Fit Center 5611 is at 0.906596 4.490515 -1.584935 ESP Fit Center 5612 is at 0.556373 4.274874 -1.584935 ESP Fit Center 5613 is at 4.147849 2.739580 -1.930706 ESP Fit Center 5614 is at 4.030598 3.138901 -1.930706 ESP Fit Center 5615 is at 3.839893 3.508816 -1.930706 ESP Fit Center 5616 is at 3.582628 3.835956 -1.930706 ESP Fit Center 5617 is at 3.268101 4.108496 -1.930706 ESP Fit Center 5618 is at 2.907678 4.316585 -1.930706 ESP Fit Center 5619 is at 2.514388 4.452704 -1.930706 ESP Fit Center 5620 is at 2.102445 4.511933 -1.930706 ESP Fit Center 5621 is at 1.686736 4.492130 -1.930706 ESP Fit Center 5622 is at 1.282288 4.394012 -1.930706 ESP Fit Center 5623 is at 0.903718 4.221125 -1.930706 ESP Fit Center 5624 is at 0.564708 3.979717 -1.930706 ESP Fit Center 5625 is at 3.858240 2.734692 -2.237480 ESP Fit Center 5626 is at 3.726744 3.124956 -2.237480 ESP Fit Center 5627 is at 3.514428 3.477829 -2.237480 ESP Fit Center 5628 is at 3.231218 3.776810 -2.237480 ESP Fit Center 5629 is at 2.890358 4.007919 -2.237480 ESP Fit Center 5630 is at 2.507785 4.160350 -2.237480 ESP Fit Center 5631 is at 2.101388 4.226975 -2.237480 ESP Fit Center 5632 is at 1.690170 4.204679 -2.237480 ESP Fit Center 5633 is at 1.293360 4.094505 -2.237480 ESP Fit Center 5634 is at 0.929510 3.901605 -2.237480 ESP Fit Center 5635 is at 0.615635 3.634997 -2.237480 ESP Fit Center 5636 is at 3.575578 2.325284 -2.498404 ESP Fit Center 5637 is at 3.521833 2.733519 -2.498404 ESP Fit Center 5638 is at 3.364260 3.113932 -2.498404 ESP Fit Center 5639 is at 3.113598 3.440601 -2.498404 ESP Fit Center 5640 is at 2.786930 3.691263 -2.498404 ESP Fit Center 5641 is at 2.406516 3.848835 -2.498404 ESP Fit Center 5642 is at 1.998282 3.902581 -2.498404 ESP Fit Center 5643 is at 1.590047 3.848835 -2.498404 ESP Fit Center 5644 is at 1.209634 3.691263 -2.498404 ESP Fit Center 5645 is at 0.882965 3.440601 -2.498404 ESP Fit Center 5646 is at 3.213156 2.325284 -2.707648 ESP Fit Center 5647 is at 3.139890 2.740796 -2.707648 ESP Fit Center 5648 is at 2.928929 3.106191 -2.707648 ESP Fit Center 5649 is at 2.605719 3.377397 -2.707648 ESP Fit Center 5650 is at 2.209242 3.521702 -2.707648 ESP Fit Center 5651 is at 1.787321 3.521702 -2.707648 ESP Fit Center 5652 is at 1.390844 3.377397 -2.707648 ESP Fit Center 5653 is at 1.067634 3.106191 -2.707648 ESP Fit Center 5654 is at 3.139890 1.909773 -2.707648 ESP Fit Center 5655 is at 2.823596 2.325284 -2.860539 ESP Fit Center 5656 is at 2.713025 2.737942 -2.860539 ESP Fit Center 5657 is at 2.410939 3.040028 -2.860539 ESP Fit Center 5658 is at 1.998282 3.150599 -2.860539 ESP Fit Center 5659 is at 1.585624 3.040028 -2.860539 ESP Fit Center 5660 is at 1.283538 2.737942 -2.860539 ESP Fit Center 5661 is at 2.713025 1.912627 -2.860539 ESP Fit Center 5662 is at 2.415600 2.325284 -2.953661 ESP Fit Center 5663 is at 2.206941 2.686693 -2.953661 ESP Fit Center 5664 is at 1.789622 2.686693 -2.953661 ESP Fit Center 5665 is at 2.206941 1.963876 -2.953661 ESP Fit Center 5666 is at 1.998282 2.325284 -2.984935 ESP Fit Center 5667 is at 0.915018 0.483030 2.762126 ESP Fit Center 5668 is at 0.806580 0.078335 2.762126 ESP Fit Center 5669 is at 2.316923 0.483030 -3.015377 ESP Fit Center 5670 is at 2.020666 0.779288 -3.015377 ESP Fit Center 5671 is at 0.915018 0.483030 -3.015377 ESP Fit Center 5672 is at 0.806580 0.078335 -3.015377 ESP Fit Center 5673 is at 0.915018 -0.326360 -3.015377 ESP Fit Center 5674 is at 1.211275 -0.622617 -3.015377 ESP Fit Center 5675 is at 2.024470 0.078335 -3.098683 ESP Fit Center 5676 is at 1.820221 0.432107 -3.098683 ESP Fit Center 5677 is at 1.411721 0.432107 -3.098683 ESP Fit Center 5678 is at 1.207471 0.078335 -3.098683 ESP Fit Center 5679 is at 1.411721 -0.275436 -3.098683 ESP Fit Center 5680 is at 1.820221 -0.275436 -3.098683 ESP Fit Center 5681 is at 1.615971 0.078335 -3.126625 ESP Fit Center 5682 is at 0.681448 -0.946649 2.929050 ESP Fit Center 5683 is at 0.885698 -0.592878 2.901108 ESP Fit Center 5684 is at 0.477198 -0.592878 2.901108 ESP Fit Center 5685 is at 0.272948 -0.946649 2.901108 ESP Fit Center 5686 is at 0.477198 -1.300421 2.901108 ESP Fit Center 5687 is at 0.681448 -0.137259 2.817802 ESP Fit Center 5688 is at 0.276753 -0.245697 2.817802 ESP Fit Center 5689 is at 0.276753 -1.647602 2.817802 ESP Fit Center 5690 is at 0.681448 -1.756040 2.817802 ESP Fit Center 5691 is at 0.473904 0.230396 2.680684 ESP Fit Center 5692 is at 0.473904 -2.123695 2.680684 ESP Fit Center 5693 is at 0.888993 -2.123695 2.680684 ESP Fit Center 5694 is at 0.575075 -2.501767 2.492309 ESP Fit Center 5695 is at 0.998586 -2.472799 2.492309 ESP Fit Center 5696 is at 0.783948 -2.837137 2.256184 ESP Fit Center 5697 is at 1.187950 -2.770904 2.256184 ESP Fit Center 5698 is at 0.375152 -2.814972 -2.398083 ESP Fit Center 5699 is at 0.783948 -2.837137 -2.398083 ESP Fit Center 5700 is at 1.187950 -2.770904 -2.398083 ESP Fit Center 5701 is at 0.159454 -2.415400 -2.634208 ESP Fit Center 5702 is at 0.575075 -2.501767 -2.634208 ESP Fit Center 5703 is at 0.998586 -2.472799 -2.634208 ESP Fit Center 5704 is at -0.234130 -1.714911 -2.822583 ESP Fit Center 5705 is at 0.083847 -1.981726 -2.822583 ESP Fit Center 5706 is at 0.473904 -2.123695 -2.822583 ESP Fit Center 5707 is at 0.888993 -2.123695 -2.822583 ESP Fit Center 5708 is at 1.279050 -1.981726 -2.822583 ESP Fit Center 5709 is at 0.276753 -0.245697 -2.959701 ESP Fit Center 5710 is at -0.019504 -1.351345 -2.959701 ESP Fit Center 5711 is at 0.276753 -1.647602 -2.959701 ESP Fit Center 5712 is at 0.681448 -1.756040 -2.959701 ESP Fit Center 5713 is at 1.086144 -1.647602 -2.959701 ESP Fit Center 5714 is at 1.089948 -0.946649 -3.043007 ESP Fit Center 5715 is at 0.885698 -0.592878 -3.043007 ESP Fit Center 5716 is at 0.477198 -0.592878 -3.043007 ESP Fit Center 5717 is at 0.272948 -0.946649 -3.043007 ESP Fit Center 5718 is at 0.477198 -1.300421 -3.043007 ESP Fit Center 5719 is at 0.885698 -1.300421 -3.043007 ESP Fit Center 5720 is at 0.681448 -0.946649 -3.070950 ESP Fit Center 5721 is at -0.612973 -0.652802 2.970613 ESP Fit Center 5722 is at -0.204473 -0.652802 2.942670 ESP Fit Center 5723 is at -0.408723 -0.299030 2.942670 ESP Fit Center 5724 is at -0.817223 -0.299030 2.942670 ESP Fit Center 5725 is at -1.021473 -0.652802 2.942670 ESP Fit Center 5726 is at -0.817223 -1.006573 2.942670 ESP Fit Center 5727 is at -0.408723 -1.006573 2.942670 ESP Fit Center 5728 is at 0.087979 -0.248106 2.859364 ESP Fit Center 5729 is at -0.208278 0.048151 2.859364 ESP Fit Center 5730 is at -1.313926 -0.248106 2.859364 ESP Fit Center 5731 is at -1.422363 -0.652802 2.859364 ESP Fit Center 5732 is at -0.208278 -1.353754 2.859364 ESP Fit Center 5733 is at 0.302606 0.115460 2.722247 ESP Fit Center 5734 is at -1.736097 -0.244018 2.722247 ESP Fit Center 5735 is at -1.808176 -0.652802 -2.781021 ESP Fit Center 5736 is at -0.208278 0.048151 -2.918139 ESP Fit Center 5737 is at -1.313926 -0.248106 -2.918139 ESP Fit Center 5738 is at -1.422363 -0.652802 -2.918139 ESP Fit Center 5739 is at -1.313926 -1.057497 -2.918139 ESP Fit Center 5740 is at -0.612973 -1.462192 -2.918139 ESP Fit Center 5741 is at -0.208278 -1.353754 -2.918139 ESP Fit Center 5742 is at -0.204473 -0.652802 -3.001445 ESP Fit Center 5743 is at -0.408723 -0.299030 -3.001445 ESP Fit Center 5744 is at -0.817223 -0.299030 -3.001445 ESP Fit Center 5745 is at -1.021473 -0.652802 -3.001445 ESP Fit Center 5746 is at -0.817223 -1.006573 -3.001445 ESP Fit Center 5747 is at -0.408723 -1.006573 -3.001445 ESP Fit Center 5748 is at -0.612973 -0.652802 -3.029387 ESP Fit Center 5749 is at 4.997592 2.115821 0.571969 ESP Fit Center 5750 is at 5.659314 1.447564 0.192817 ESP Fit Center 5751 is at 5.462848 1.828655 0.192817 ESP Fit Center 5752 is at 5.197811 2.165677 0.192817 ESP Fit Center 5753 is at 4.873781 2.446450 0.192817 ESP Fit Center 5754 is at 5.891156 1.031394 -0.211275 ESP Fit Center 5755 is at 5.778428 1.439856 -0.211275 ESP Fit Center 5756 is at 5.594578 1.821625 -0.211275 ESP Fit Center 5757 is at 5.345514 2.164431 -0.211275 ESP Fit Center 5758 is at 5.039243 2.457257 -0.211275 ESP Fit Center 5759 is at 5.965601 0.609368 -0.628031 ESP Fit Center 5760 is at 5.929139 1.026123 -0.628031 ESP Fit Center 5761 is at 5.820863 1.430216 -0.628031 ESP Fit Center 5762 is at 5.644062 1.809368 -0.628031 ESP Fit Center 5763 is at 5.404107 2.152058 -0.628031 ESP Fit Center 5764 is at 5.108291 2.447874 -0.628031 ESP Fit Center 5765 is at 4.765601 2.687829 -0.628031 ESP Fit Center 5766 is at 5.929139 0.609368 -1.044787 ESP Fit Center 5767 is at 5.891156 1.031394 -1.044787 ESP Fit Center 5768 is at 5.778428 1.439856 -1.044787 ESP Fit Center 5769 is at 5.594578 1.821625 -1.044787 ESP Fit Center 5770 is at 5.345514 2.164431 -1.044787 ESP Fit Center 5771 is at 5.039243 2.457257 -1.044787 ESP Fit Center 5772 is at 4.685608 2.690689 -1.044787 ESP Fit Center 5773 is at 5.891156 0.187342 -1.044787 ESP Fit Center 5774 is at 5.820863 0.609368 -1.448879 ESP Fit Center 5775 is at 5.780108 1.036179 -1.448879 ESP Fit Center 5776 is at 5.659314 1.447564 -1.448879 ESP Fit Center 5777 is at 5.462848 1.828655 -1.448879 ESP Fit Center 5778 is at 5.197811 2.165677 -1.448879 ESP Fit Center 5779 is at 4.873781 2.446450 -1.448879 ESP Fit Center 5780 is at 4.502471 2.660827 -1.448879 ESP Fit Center 5781 is at 5.780108 0.182557 -1.448879 ESP Fit Center 5782 is at 5.644062 0.609368 -1.828031 ESP Fit Center 5783 is at 5.601516 1.027759 -1.828031 ESP Fit Center 5784 is at 5.475619 1.429021 -1.828031 ESP Fit Center 5785 is at 5.271526 1.796727 -1.828031 ESP Fit Center 5786 is at 4.997592 2.115821 -1.828031 ESP Fit Center 5787 is at 4.665032 2.373242 -1.828031 ESP Fit Center 5788 is at 4.287461 2.558449 -1.828031 ESP Fit Center 5789 is at 5.601516 0.190977 -1.828031 ESP Fit Center 5790 is at 5.404107 0.609368 -2.170721 ESP Fit Center 5791 is at 5.354550 1.033357 -2.170721 ESP Fit Center 5792 is at 5.208550 1.434488 -2.170721 ESP Fit Center 5793 is at 4.973979 1.791137 -2.170721 ESP Fit Center 5794 is at 4.663481 2.084077 -2.170721 ESP Fit Center 5795 is at 4.293796 2.297514 -2.170721 ESP Fit Center 5796 is at 5.354550 0.185379 -2.170721 ESP Fit Center 5797 is at 5.108291 0.609368 -2.466538 ESP Fit Center 5798 is at 5.051084 1.025581 -2.466538 ESP Fit Center 5799 is at 4.883705 1.410925 -2.466538 ESP Fit Center 5800 is at 4.618569 1.736821 -2.466538 ESP Fit Center 5801 is at 4.275339 1.979100 -2.466538 ESP Fit Center 5802 is at 3.879470 2.119791 -2.466538 ESP Fit Center 5803 is at 5.051084 0.193155 -2.466538 ESP Fit Center 5804 is at 4.765601 0.609368 -2.706492 ESP Fit Center 5805 is at 4.693232 1.019792 -2.706492 ESP Fit Center 5806 is at 4.484854 1.380713 -2.706492 ESP Fit Center 5807 is at 4.165601 1.648598 -2.706492 ESP Fit Center 5808 is at 3.773979 1.791137 -2.706492 ESP Fit Center 5809 is at 3.357223 1.791137 -2.706492 ESP Fit Center 5810 is at 4.693232 0.198944 -2.706492 ESP Fit Center 5811 is at 4.386449 0.609368 -2.883293 ESP Fit Center 5812 is at 4.276476 1.019792 -2.883293 ESP Fit Center 5813 is at 3.976025 1.320243 -2.883293 ESP Fit Center 5814 is at 3.565601 1.430216 -2.883293 ESP Fit Center 5815 is at 3.155177 1.320243 -2.883293 ESP Fit Center 5816 is at 3.982356 0.609368 -2.991570 ESP Fit Center 5817 is at 3.773979 0.970289 -2.991570 ESP Fit Center 5818 is at 3.357223 0.970289 -2.991570 ESP Fit Center 5819 is at 3.565601 0.609368 -3.028031 ESP Fit Center 5820 is at 5.793046 -0.654861 3.327678 ESP Fit Center 5821 is at 5.720677 -0.244437 3.327678 ESP Fit Center 5822 is at 5.512300 -1.426206 3.327678 ESP Fit Center 5823 is at 5.720677 -1.065285 3.327678 ESP Fit Center 5824 is at 6.135737 -0.654861 3.087723 ESP Fit Center 5825 is at 6.078529 -0.238648 3.087723 ESP Fit Center 5826 is at 5.911151 0.146696 3.087723 ESP Fit Center 5827 is at 5.302784 -2.024593 3.087723 ESP Fit Center 5828 is at 5.646014 -1.782314 3.087723 ESP Fit Center 5829 is at 5.911151 -1.456418 3.087723 ESP Fit Center 5830 is at 6.078529 -1.071074 3.087723 ESP Fit Center 5831 is at 6.431553 -0.654861 2.791907 ESP Fit Center 5832 is at 6.381996 -0.230872 2.791907 ESP Fit Center 5833 is at 6.235996 0.170259 2.791907 ESP Fit Center 5834 is at 6.001424 0.526908 2.791907 ESP Fit Center 5835 is at 5.321242 -2.343007 2.791907 ESP Fit Center 5836 is at 5.690926 -2.129570 2.791907 ESP Fit Center 5837 is at 6.001424 -1.836630 2.791907 ESP Fit Center 5838 is at 6.235996 -1.479981 2.791907 ESP Fit Center 5839 is at 6.381996 -1.078850 2.791907 ESP Fit Center 5840 is at 6.671507 -0.654861 2.449217 ESP Fit Center 5841 is at 6.628961 -0.236470 2.449217 ESP Fit Center 5842 is at 6.503064 0.164792 2.449217 ESP Fit Center 5843 is at 6.298971 0.532498 2.449217 ESP Fit Center 5844 is at 6.025037 0.851593 2.449217 ESP Fit Center 5845 is at 5.314907 -2.603942 2.449217 ESP Fit Center 5846 is at 5.692477 -2.418735 2.449217 ESP Fit Center 5847 is at 6.025037 -2.161314 2.449217 ESP Fit Center 5848 is at 6.298971 -1.842220 2.449217 ESP Fit Center 5849 is at 6.503064 -1.474514 2.449217 ESP Fit Center 5850 is at 6.628961 -1.073252 2.449217 ESP Fit Center 5851 is at 6.848309 -0.654861 2.070065 ESP Fit Center 5852 is at 6.807553 -0.228050 2.070065 ESP Fit Center 5853 is at 6.686759 0.183335 2.070065 ESP Fit Center 5854 is at 6.490294 0.564426 2.070065 ESP Fit Center 5855 is at 6.225256 0.901448 2.070065 ESP Fit Center 5856 is at 5.124745 -2.846551 2.070065 ESP Fit Center 5857 is at 5.529916 -2.706320 2.070065 ESP Fit Center 5858 is at 5.901227 -2.491943 2.070065 ESP Fit Center 5859 is at 6.225256 -2.211170 2.070065 ESP Fit Center 5860 is at 6.490294 -1.874148 2.070065 ESP Fit Center 5861 is at 6.686759 -1.493057 2.070065 ESP Fit Center 5862 is at 6.807553 -1.081672 2.070065 ESP Fit Center 5863 is at 6.956585 -0.654861 1.665972 ESP Fit Center 5864 is at 6.918602 -0.232835 1.665972 ESP Fit Center 5865 is at 6.805874 0.175627 1.665972 ESP Fit Center 5866 is at 6.622023 0.557396 1.665972 ESP Fit Center 5867 is at 6.372960 0.900203 1.665972 ESP Fit Center 5868 is at 6.066688 1.193028 1.665972 ESP Fit Center 5869 is at 5.323420 -2.902720 1.665972 ESP Fit Center 5870 is at 5.713053 -2.736182 1.665972 ESP Fit Center 5871 is at 6.066688 -2.502750 1.665972 ESP Fit Center 5872 is at 6.372960 -2.209924 1.665972 ESP Fit Center 5873 is at 6.622023 -1.867118 1.665972 ESP Fit Center 5874 is at 6.805874 -1.485349 1.665972 ESP Fit Center 5875 is at 6.918602 -1.076887 1.665972 ESP Fit Center 5876 is at 6.993046 -0.654861 1.249217 ESP Fit Center 5877 is at 6.956585 -0.238105 1.249217 ESP Fit Center 5878 is at 6.848309 0.165987 1.249217 ESP Fit Center 5879 is at 6.671507 0.545139 1.249217 ESP Fit Center 5880 is at 6.431553 0.887829 1.249217 ESP Fit Center 5881 is at 6.135737 1.183646 1.249217 ESP Fit Center 5882 is at 5.413895 -2.910123 1.249217 ESP Fit Center 5883 is at 5.793046 -2.733322 1.249217 ESP Fit Center 5884 is at 6.135737 -2.493368 1.249217 ESP Fit Center 5885 is at 6.431553 -2.197551 1.249217 ESP Fit Center 5886 is at 6.671507 -1.854861 1.249217 ESP Fit Center 5887 is at 6.848309 -1.475709 1.249217 ESP Fit Center 5888 is at 6.956585 -1.071616 1.249217 ESP Fit Center 5889 is at 6.956585 -0.654861 0.832461 ESP Fit Center 5890 is at 6.918602 -0.232835 0.832461 ESP Fit Center 5891 is at 6.805874 0.175627 0.832461 ESP Fit Center 5892 is at 6.622023 0.557396 0.832461 ESP Fit Center 5893 is at 6.372960 0.900203 0.832461 ESP Fit Center 5894 is at 6.066688 1.193028 0.832461 ESP Fit Center 5895 is at 5.323420 -2.902720 0.832461 ESP Fit Center 5896 is at 5.713053 -2.736182 0.832461 ESP Fit Center 5897 is at 6.066688 -2.502750 0.832461 ESP Fit Center 5898 is at 6.372960 -2.209924 0.832461 ESP Fit Center 5899 is at 6.622023 -1.867118 0.832461 ESP Fit Center 5900 is at 6.805874 -1.485349 0.832461 ESP Fit Center 5901 is at 6.918602 -1.076887 0.832461 ESP Fit Center 5902 is at 6.848309 -0.654861 0.428368 ESP Fit Center 5903 is at 6.807553 -0.228050 0.428368 ESP Fit Center 5904 is at 6.686759 0.183335 0.428368 ESP Fit Center 5905 is at 6.490294 0.564426 0.428368 ESP Fit Center 5906 is at 6.225256 0.901448 0.428368 ESP Fit Center 5907 is at 6.225256 -2.211170 0.428368 ESP Fit Center 5908 is at 6.490294 -1.874148 0.428368 ESP Fit Center 5909 is at 6.686759 -1.493057 0.428368 ESP Fit Center 5910 is at 6.807553 -1.081672 0.428368 ESP Fit Center 5911 is at 6.671507 -0.654861 0.049217 ESP Fit Center 5912 is at 6.628961 -0.236470 0.049217 ESP Fit Center 5913 is at 6.503064 0.164792 0.049217 ESP Fit Center 5914 is at 6.298971 0.532498 0.049217 ESP Fit Center 5915 is at 6.025037 0.851593 0.049217 ESP Fit Center 5916 is at 6.503064 -1.474514 0.049217 ESP Fit Center 5917 is at 6.628961 -1.073252 0.049217 ESP Fit Center 5918 is at 6.431553 -0.654861 -0.293474 ESP Fit Center 5919 is at 6.381996 -0.230872 -0.293474 ESP Fit Center 5920 is at 6.235996 0.170259 -0.293474 ESP Fit Center 5921 is at 6.001424 0.526908 -0.293474 ESP Fit Center 5922 is at 3.356292 0.505290 4.242181 ESP Fit Center 5923 is at 3.773048 0.505290 4.205719 ESP Fit Center 5924 is at 3.564670 0.866211 4.205719 ESP Fit Center 5925 is at 3.147914 0.866211 4.205719 ESP Fit Center 5926 is at 2.939536 0.505290 4.205719 ESP Fit Center 5927 is at 3.147914 0.144369 4.205719 ESP Fit Center 5928 is at 4.177140 0.505290 4.097443 ESP Fit Center 5929 is at 4.067168 0.915714 4.097443 ESP Fit Center 5930 is at 3.766716 1.216166 4.097443 ESP Fit Center 5931 is at 3.356292 1.326139 4.097443 ESP Fit Center 5932 is at 2.945868 1.216166 4.097443 ESP Fit Center 5933 is at 2.645417 0.915714 4.097443 ESP Fit Center 5934 is at 2.535444 0.505290 4.097443 ESP Fit Center 5935 is at 2.645417 0.094866 4.097443 ESP Fit Center 5936 is at 4.483923 0.915714 3.920642 ESP Fit Center 5937 is at 4.275545 1.276635 3.920642 ESP Fit Center 5938 is at 3.956292 1.544521 3.920642 ESP Fit Center 5939 is at 3.564670 1.687059 3.920642 ESP Fit Center 5940 is at 3.147914 1.687059 3.920642 ESP Fit Center 5941 is at 2.756292 1.544521 3.920642 ESP Fit Center 5942 is at 2.437039 1.276635 3.920642 ESP Fit Center 5943 is at 2.228661 0.915714 3.920642 ESP Fit Center 5944 is at 2.156292 0.505290 3.920642 ESP Fit Center 5945 is at 4.841775 0.921503 3.680688 ESP Fit Center 5946 is at 4.674397 1.306847 3.680688 ESP Fit Center 5947 is at 4.409260 1.632744 3.680688 ESP Fit Center 5948 is at 4.066030 1.875022 3.680688 ESP Fit Center 5949 is at 3.670162 2.015714 3.680688 ESP Fit Center 5950 is at 3.251015 2.044384 3.680688 ESP Fit Center 5951 is at 2.839677 1.958907 3.680688 ESP Fit Center 5952 is at 2.466653 1.765622 3.680688 ESP Fit Center 5953 is at 2.159610 1.478863 3.680688 ESP Fit Center 5954 is at 1.941319 1.119900 3.680688 ESP Fit Center 5955 is at 1.827970 0.715353 3.680688 ESP Fit Center 5956 is at 1.827970 0.295227 3.680688 ESP Fit Center 5957 is at 4.999242 1.330410 3.384871 ESP Fit Center 5958 is at 4.764670 1.687059 3.384871 ESP Fit Center 5959 is at 4.454172 1.979999 3.384871 ESP Fit Center 5960 is at 4.084487 2.193437 3.384871 ESP Fit Center 5961 is at 3.675545 2.315866 3.384871 ESP Fit Center 5962 is at 3.249392 2.340686 3.384871 ESP Fit Center 5963 is at 2.829002 2.266560 3.384871 ESP Fit Center 5964 is at 2.437039 2.097484 3.384871 ESP Fit Center 5965 is at 2.094632 1.842571 3.384871 ESP Fit Center 5966 is at 1.820242 1.515566 3.384871 ESP Fit Center 5967 is at 1.628661 1.134096 3.384871 ESP Fit Center 5968 is at 1.530217 0.718728 3.384871 ESP Fit Center 5969 is at 5.266310 1.324943 3.042181 ESP Fit Center 5970 is at 5.062217 1.692649 3.042181 ESP Fit Center 5971 is at 4.788283 2.011744 3.042181 ESP Fit Center 5972 is at 4.455723 2.269164 3.042181 ESP Fit Center 5973 is at 4.078152 2.454371 3.042181 ESP Fit Center 5974 is at 3.671029 2.559783 3.042181 ESP Fit Center 5975 is at 3.251020 2.581083 3.042181 ESP Fit Center 5976 is at 2.835321 2.517401 3.042181 ESP Fit Center 5977 is at 2.440950 2.371342 3.042181 ESP Fit Center 5978 is at 2.084054 2.148887 3.042181 ESP Fit Center 5979 is at 1.779243 1.859142 3.042181 ESP Fit Center 5980 is at 1.538997 1.513971 3.042181 ESP Fit Center 5981 is at 1.373151 1.127505 3.042181 ESP Fit Center 5982 is at 1.288495 0.715565 3.042181 ESP Fit Center 5983 is at 5.253539 1.724577 2.663029 ESP Fit Center 5984 is at 4.988502 2.061599 2.663029 ESP Fit Center 5985 is at 4.664473 2.342373 2.663029 ESP Fit Center 5986 is at 4.293162 2.556749 2.663029 ESP Fit Center 5987 is at 3.887990 2.696980 2.663029 ESP Fit Center 5988 is at 3.463602 2.757998 2.663029 ESP Fit Center 5989 is at 3.035335 2.737597 2.663029 ESP Fit Center 5990 is at 2.618668 2.636515 2.663029 ESP Fit Center 5991 is at 2.228661 2.458405 2.663029 ESP Fit Center 5992 is at 5.385269 1.717547 2.258937 ESP Fit Center 5993 is at 5.136206 2.060354 2.258937 ESP Fit Center 5994 is at 4.829934 2.353179 2.258937 ESP Fit Center 5995 is at 4.476299 2.586612 2.258937 ESP Fit Center 5996 is at 4.086666 2.753149 2.258937 ESP Fit Center 5997 is at 3.673558 2.847438 2.258937 ESP Fit Center 5998 is at 5.194799 2.047980 1.842181 ESP Fit Center 5999 is at 4.898982 2.343797 1.842181 ESP Fit Center 6000 is at 4.556292 2.583751 1.842181 ESP Fit Center 6001 is at 4.177140 2.760552 1.842181 ESP Fit Center 6002 is at 4.829934 2.353179 1.425425 ESP Fit Center 6003 is at 4.476299 2.586612 1.425425 ESP Fit Center 6004 is at -3.332407 0.003437 3.057171 ESP Fit Center 6005 is at -2.923907 0.003437 3.029229 ESP Fit Center 6006 is at -3.128157 0.357209 3.029229 ESP Fit Center 6007 is at -3.536657 0.357209 3.029229 ESP Fit Center 6008 is at -3.740907 0.003437 3.029229 ESP Fit Center 6009 is at -3.536657 -0.350334 3.029229 ESP Fit Center 6010 is at -3.128157 -0.350334 3.029229 ESP Fit Center 6011 is at -2.523017 0.003437 2.945923 ESP Fit Center 6012 is at -2.631455 0.408132 2.945923 ESP Fit Center 6013 is at -2.927712 0.704390 2.945923 ESP Fit Center 6014 is at -3.332407 0.812828 2.945923 ESP Fit Center 6015 is at -3.737102 0.704390 2.945923 ESP Fit Center 6016 is at -4.033360 0.408132 2.945923 ESP Fit Center 6017 is at -4.141798 0.003437 2.945923 ESP Fit Center 6018 is at -4.033360 -0.401258 2.945923 ESP Fit Center 6019 is at -3.737102 -0.697515 2.945923 ESP Fit Center 6020 is at -3.332407 -0.805953 2.945923 ESP Fit Center 6021 is at -2.927712 -0.697515 2.945923 ESP Fit Center 6022 is at -2.631455 -0.401258 2.945923 ESP Fit Center 6023 is at -3.539952 1.180483 2.808805 ESP Fit Center 6024 is at -3.930009 1.038514 2.808805 ESP Fit Center 6025 is at -4.455531 -0.405346 2.808805 ESP Fit Center 6026 is at -4.247986 -0.764825 2.808805 ESP Fit Center 6027 is at -3.930009 -1.031639 2.808805 ESP Fit Center 6028 is at -3.539952 -1.173608 2.808805 ESP Fit Center 6029 is at -2.416828 -0.764825 2.808805 ESP Fit Center 6030 is at -2.209284 -0.405346 2.808805 ESP Fit Center 6031 is at -3.854401 1.472188 2.620430 ESP Fit Center 6032 is at -4.541549 -0.980272 2.620430 ESP Fit Center 6033 is at -4.231309 -1.270016 2.620430 ESP Fit Center 6034 is at -4.706908 -1.298559 -2.269962 ESP Fit Center 6035 is at -4.541549 -0.980272 -2.506087 ESP Fit Center 6036 is at -4.231309 -1.270016 -2.506087 ESP Fit Center 6037 is at -3.930009 1.038514 -2.694463 ESP Fit Center 6038 is at -4.247986 0.771699 -2.694463 ESP Fit Center 6039 is at -4.527611 0.003437 -2.694463 ESP Fit Center 6040 is at -4.455531 -0.405346 -2.694463 ESP Fit Center 6041 is at -4.247986 -0.764825 -2.694463 ESP Fit Center 6042 is at -3.930009 -1.031639 -2.694463 ESP Fit Center 6043 is at -3.539952 -1.173608 -2.694463 ESP Fit Center 6044 is at -2.416828 -0.764825 -2.694463 ESP Fit Center 6045 is at -2.209284 -0.405346 -2.694463 ESP Fit Center 6046 is at -2.523017 0.003437 -2.831580 ESP Fit Center 6047 is at -3.737102 0.704390 -2.831580 ESP Fit Center 6048 is at -4.033360 0.408132 -2.831580 ESP Fit Center 6049 is at 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ESP Fit Center 6086 is at -3.006379 4.207931 0.814247 ESP Fit Center 6087 is at -3.423046 4.106848 0.814247 ESP Fit Center 6088 is at -3.813053 3.928738 0.814247 ESP Fit Center 6089 is at -4.162304 3.680037 0.814247 ESP Fit Center 6090 is at -4.458177 3.369734 0.814247 ESP Fit Center 6091 is at -4.689979 3.009045 0.814247 ESP Fit Center 6092 is at -1.955048 4.223482 0.410154 ESP Fit Center 6093 is at -2.368156 4.317772 0.410154 ESP Fit Center 6094 is at -2.791461 4.336782 0.410154 ESP Fit Center 6095 is at -3.211358 4.279903 0.410154 ESP Fit Center 6096 is at -3.614351 4.148963 0.410154 ESP Fit Center 6097 is at -3.987488 3.948170 0.410154 ESP Fit Center 6098 is at -4.318775 3.683977 0.410154 ESP Fit Center 6099 is at -4.597564 3.364877 0.410154 ESP Fit Center 6100 is at -1.864573 4.230886 -0.006601 ESP Fit Center 6101 is at -2.268666 4.339162 -0.006601 ESP Fit Center 6102 is at -2.685422 4.375624 -0.006601 ESP Fit Center 6103 is at -3.102177 4.339162 -0.006601 ESP Fit Center 6104 is 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3.486047 -1.845108 ESP Fit Center 6141 is at -2.790698 3.514718 -1.845108 ESP Fit Center 6142 is at -3.202037 3.429240 -1.845108 ESP Fit Center 6143 is at -3.575061 3.235955 -1.845108 ESP Fit Center 6144 is at -3.882104 2.949197 -1.845108 ESP Fit Center 6145 is at -2.893799 3.157393 -2.085062 ESP Fit Center 6146 is at -3.285422 3.014854 -2.085062 ESP Fit Center 6147 is at 0.790077 -3.141026 2.017237 ESP Fit Center 6148 is at 1.206833 -3.141026 2.017237 ESP Fit Center 6149 is at 0.893178 -3.498351 1.777283 ESP Fit Center 6150 is at 1.312324 -3.469680 1.777283 ESP Fit Center 6151 is at 1.708193 -3.328989 1.777283 ESP Fit Center 6152 is at 0.891555 -3.794653 1.481467 ESP Fit Center 6153 is at 1.317708 -3.769832 1.481467 ESP Fit Center 6154 is at 1.726650 -3.647403 1.481467 ESP Fit Center 6155 is at 0.477483 -3.971367 1.138776 ESP Fit Center 6156 is at 0.893182 -4.035050 1.138776 ESP Fit Center 6157 is at 1.313191 -4.013749 1.138776 ESP Fit Center 6158 is at 1.720315 -3.908338 1.138776 ESP Fit Center 6159 is at 2.097886 -3.723131 1.138776 ESP Fit Center 6160 is at 0.677497 -4.191564 0.759625 ESP Fit Center 6161 is at 1.105764 -4.211964 0.759625 ESP Fit Center 6162 is at 1.530153 -4.150947 0.759625 ESP Fit Center 6163 is at 1.935325 -4.010715 0.759625 ESP Fit Center 6164 is at 2.306635 -3.796339 0.759625 ESP Fit Center 6165 is at 0.472518 -4.263536 0.355532 ESP Fit Center 6166 is at 0.892415 -4.320415 0.355532 ESP Fit Center 6167 is at 1.315720 -4.301405 0.355532 ESP Fit Center 6168 is at 1.728828 -4.207115 0.355532 ESP Fit Center 6169 is at 2.118462 -4.040578 0.355532 ESP Fit Center 6170 is at 0.177606 -4.214519 -0.061224 ESP Fit Center 6171 is at 0.581699 -4.322795 -0.061224 ESP Fit Center 6172 is at 0.998455 -4.359257 -0.061224 ESP Fit Center 6173 is at 1.415210 -4.322795 -0.061224 ESP Fit Center 6174 is at 1.819303 -4.214519 -0.061224 ESP Fit Center 6175 is at 2.198455 -4.037718 -0.061224 ESP Fit Center 6176 is at 0.472518 -4.263536 -0.477979 ESP Fit Center 6177 is at 0.892415 -4.320415 -0.477979 ESP Fit Center 6178 is at 1.315720 -4.301405 -0.477979 ESP Fit Center 6179 is at 1.728828 -4.207115 -0.477979 ESP Fit Center 6180 is at 2.118462 -4.040578 -0.477979 ESP Fit Center 6181 is at 0.260831 -4.090481 -0.882072 ESP Fit Center 6182 is at 0.677497 -4.191564 -0.882072 ESP Fit Center 6183 is at 1.105764 -4.211964 -0.882072 ESP Fit Center 6184 is at 1.530153 -4.150947 -0.882072 ESP Fit Center 6185 is at 1.935325 -4.010715 -0.882072 ESP Fit Center 6186 is at 0.477483 -3.971367 -1.261224 ESP Fit Center 6187 is at 0.893182 -4.035050 -1.261224 ESP Fit Center 6188 is at 1.313191 -4.013749 -1.261224 ESP Fit Center 6189 is at 1.720315 -3.908338 -1.261224 ESP Fit Center 6190 is at 0.471165 -3.720527 -1.603914 ESP Fit Center 6191 is at 0.891555 -3.794653 -1.603914 ESP Fit Center 6192 is at 1.317708 -3.769832 -1.603914 ESP Fit Center 6193 is at 0.481839 -3.412873 -1.899730 ESP Fit Center 6194 is at 0.893178 -3.498351 -1.899730 ESP Fit Center 6195 is at 1.312324 -3.469680 -1.899730 ESP Fit Center 6196 is at 0.790077 -3.141026 -2.139684 ESP Fit Center 6197 is at 1.206833 -3.141026 -2.139684 ESP Fit Center 6198 is at -1.215688 -1.057552 2.919719 ESP Fit Center 6199 is at -1.620384 -0.949114 2.919719 ESP Fit Center 6200 is at -2.025079 -1.057552 2.919719 ESP Fit Center 6201 is at -2.321336 -1.353809 2.919719 ESP Fit Center 6202 is at -1.827929 -0.581459 2.782601 ESP Fit Center 6203 is at -2.217985 -0.723428 2.782601 ESP Fit Center 6204 is at -3.186041 -3.913447 1.411162 ESP Fit Center 6205 is at -3.265172 -4.057498 1.035605 ESP Fit Center 6206 is at -2.912908 -4.272481 1.035605 ESP Fit Center 6207 is at -3.428737 -4.073091 0.641335 ESP Fit Center 6208 is at -3.089010 -4.302239 0.641335 ESP Fit Center 6209 is at -2.720698 -4.481877 0.641335 ESP Fit Center 6210 is at -2.330969 -4.608508 0.641335 ESP Fit Center 6211 is at -3.463062 -4.117025 0.235694 ESP Fit Center 6212 is at -3.116887 -4.350524 0.235694 ESP Fit Center 6213 is at -2.741584 -4.533571 0.235694 ESP Fit Center 6214 is at -2.344457 -4.662605 0.235694 ESP Fit Center 6215 is at -1.933238 -4.735114 0.235694 ESP Fit Center 6216 is at -1.515929 -4.749687 0.235694 ESP Fit Center 6217 is at -1.100654 -4.706040 0.235694 ESP Fit Center 6218 is at -0.695494 -4.605022 0.235694 ESP Fit Center 6219 is at -0.308336 -4.448600 0.235694 ESP Fit Center 6220 is at 0.053284 -4.239819 0.235694 ESP Fit Center 6221 is at -3.463062 -4.117025 -0.173761 ESP Fit Center 6222 is at -3.116887 -4.350524 -0.173761 ESP Fit Center 6223 is at -2.741584 -4.533571 -0.173761 ESP Fit Center 6224 is at -2.344457 -4.662605 -0.173761 ESP Fit Center 6225 is at -1.933238 -4.735114 -0.173761 ESP Fit Center 6226 is at -1.515929 -4.749687 -0.173761 ESP Fit Center 6227 is at -1.100654 -4.706040 -0.173761 ESP Fit Center 6228 is at -0.695494 -4.605022 -0.173761 ESP Fit Center 6229 is at -0.308336 -4.448600 -0.173761 ESP Fit Center 6230 is at 0.053284 -4.239819 -0.173761 ESP Fit Center 6231 is at -3.428737 -4.073091 -0.579401 ESP Fit Center 6232 is at -3.089010 -4.302239 -0.579401 ESP Fit Center 6233 is at -2.720698 -4.481877 -0.579401 ESP Fit Center 6234 is at -3.265172 -4.057498 -0.973672 ESP Fit Center 6235 is at -2.217985 -0.723428 -2.720667 ESP Fit Center 6236 is at -2.535962 -0.990242 -2.720667 ESP Fit Center 6237 is at -2.743507 -1.349721 -2.720667 ESP Fit Center 6238 is at -2.815587 -1.758504 -2.720667 ESP Fit Center 6239 is at -1.620384 -0.949114 -2.857785 ESP Fit Center 6240 is at -2.025079 -1.057552 -2.857785 ESP Fit Center 6241 is at -2.321336 -1.353809 -2.857785 ESP Fit Center 6242 is at 2.970663 -1.246083 4.141032 ESP Fit Center 6243 is at 2.553907 -1.246083 4.104570 ESP Fit Center 6244 is at 2.762285 -1.607004 4.104570 ESP Fit Center 6245 is at 3.179040 -1.607004 4.104570 ESP Fit Center 6246 is at 2.259787 -0.835658 3.996294 ESP Fit Center 6247 is at 2.149814 -1.246083 3.996294 ESP Fit Center 6248 is at 2.259787 -1.656507 3.996294 ESP Fit Center 6249 is at 2.560238 -1.956958 3.996294 ESP Fit Center 6250 is at 2.970663 -2.066931 3.996294 ESP Fit Center 6251 is at 3.381087 -1.956958 3.996294 ESP Fit Center 6252 is at 1.843031 -0.835658 3.819492 ESP Fit Center 6253 is at 1.770663 -1.246083 3.819492 ESP Fit Center 6254 is at 1.843031 -1.656507 3.819492 ESP Fit Center 6255 is at 2.051409 -2.017428 3.819492 ESP Fit Center 6256 is at 2.370663 -2.285313 3.819492 ESP Fit Center 6257 is at 2.762285 -2.427852 3.819492 ESP Fit Center 6258 is at 3.179040 -2.427852 3.819492 ESP Fit Center 6259 is at 3.570663 -2.285313 3.819492 ESP Fit Center 6260 is at 3.889916 -2.017428 3.819492 ESP Fit Center 6261 is at 1.555690 -0.631473 3.579538 ESP Fit Center 6262 is at 1.442341 -1.036020 3.579538 ESP Fit Center 6263 is at 1.442341 -1.456146 3.579538 ESP Fit Center 6264 is at 1.555690 -1.860692 3.579538 ESP Fit Center 6265 is at 1.773980 -2.219656 3.579538 ESP Fit Center 6266 is at 2.081023 -2.506414 3.579538 ESP Fit Center 6267 is at 2.454047 -2.699699 3.579538 ESP Fit Center 6268 is at 2.865386 -2.785177 3.579538 ESP Fit Center 6269 is at 3.284532 -2.756506 3.579538 ESP Fit Center 6270 is at 3.680400 -2.615815 3.579538 ESP Fit Center 6271 is at 4.023631 -2.373536 3.579538 ESP Fit Center 6272 is at 1.243031 -0.617276 3.283722 ESP Fit Center 6273 is at 1.144587 -1.032645 3.283722 ESP Fit Center 6274 is at 1.144587 -1.459520 3.283722 ESP Fit Center 6275 is at 1.243031 -1.874889 3.283722 ESP Fit Center 6276 is at 1.434613 -2.256359 3.283722 ESP Fit Center 6277 is at 1.709003 -2.583364 3.283722 ESP Fit Center 6278 is at 2.051409 -2.838276 3.283722 ESP Fit Center 6279 is at 2.443373 -3.007353 3.283722 ESP Fit Center 6280 is at 2.863763 -3.081479 3.283722 ESP Fit Center 6281 is at 3.289916 -3.056658 3.283722 ESP Fit Center 6282 is at 3.698858 -2.934229 3.283722 ESP Fit Center 6283 is at 4.068543 -2.720791 3.283722 ESP Fit Center 6284 is at 0.987521 -0.623868 2.941032 ESP Fit Center 6285 is at 0.902865 -1.035808 2.941032 ESP Fit Center 6286 is at 0.902865 -1.456357 2.941032 ESP Fit Center 6287 is at 0.987521 -1.868297 2.941032 ESP Fit Center 6288 is at 1.153367 -2.254764 2.941032 ESP Fit Center 6289 is at 1.393613 -2.599935 2.941032 ESP Fit Center 6290 is at 1.698424 -2.889679 2.941032 ESP Fit Center 6291 is at 2.055321 -3.112134 2.941032 ESP Fit Center 6292 is at 2.449691 -3.258193 2.941032 ESP Fit Center 6293 is at 2.865390 -3.321876 2.941032 ESP Fit Center 6294 is at 3.285399 -3.300575 2.941032 ESP Fit Center 6295 is at 3.692523 -3.195164 2.941032 ESP Fit Center 6296 is at 4.070094 -3.009957 2.941032 ESP Fit Center 6297 is at 4.402653 -2.752536 2.941032 ESP Fit Center 6298 is at 1.197907 -2.640193 2.561880 ESP Fit Center 6299 is at 1.493780 -2.950496 2.561880 ESP Fit Center 6300 is at 1.843031 -3.199197 2.561880 ESP Fit Center 6301 is at 2.233039 -3.377307 2.561880 ESP Fit Center 6302 is at 2.649705 -3.478390 2.561880 ESP Fit Center 6303 is at 3.077972 -3.498790 2.561880 ESP Fit Center 6304 is at 3.502361 -3.437773 2.561880 ESP Fit Center 6305 is at 3.907532 -3.297541 2.561880 ESP Fit Center 6306 is at 4.278843 -3.083165 2.561880 ESP Fit Center 6307 is at 1.337309 -2.954436 2.157787 ESP Fit Center 6308 is at 1.668596 -3.218629 2.157787 ESP Fit Center 6309 is at 2.041733 -3.419422 2.157787 ESP Fit Center 6310 is at 2.444726 -3.550362 2.157787 ESP Fit Center 6311 is at 2.864623 -3.607241 2.157787 ESP Fit Center 6312 is at 3.287928 -3.588231 2.157787 ESP Fit Center 6313 is at 3.701036 -3.493941 2.157787 ESP Fit Center 6314 is at 4.090669 -3.327404 2.157787 ESP Fit Center 6315 is at 2.149814 -3.501345 1.741032 ESP Fit Center 6316 is at 2.553907 -3.609621 1.741032 ESP Fit Center 6317 is at 2.970663 -3.646083 1.741032 ESP Fit Center 6318 is at 3.387418 -3.609621 1.741032 ESP Fit Center 6319 is at 3.791511 -3.501345 1.741032 ESP Fit Center 6320 is at 4.170663 -3.324544 1.741032 ESP Fit Center 6321 is at 2.444726 -3.550362 1.324276 ESP Fit Center 6322 is at 2.864623 -3.607241 1.324276 ESP Fit Center 6323 is at 3.287928 -3.588231 1.324276 ESP Fit Center 6324 is at 3.701036 -3.493941 1.324276 ESP Fit Center 6325 is at 4.515985 -3.457930 0.648756 ESP Fit Center 6326 is at 4.924927 -3.335501 0.648756 ESP Fit Center 6327 is at 5.294612 -3.122064 0.648756 ESP Fit Center 6328 is at 5.605109 -2.829124 0.648756 ESP Fit Center 6329 is at 4.511468 -3.701848 0.306066 ESP Fit Center 6330 is at 4.918592 -3.596436 0.306066 ESP Fit Center 6331 is at 5.296163 -3.411229 0.306066 ESP Fit Center 6332 is at 5.628722 -3.153808 0.306066 ESP Fit Center 6333 is at 5.902656 -2.834714 0.306066 ESP Fit Center 6334 is at 6.106750 -2.467008 0.306066 ESP Fit Center 6335 is at 6.451994 -1.647355 -0.073086 ESP Fit Center 6336 is at 4.304041 -3.900063 -0.073086 ESP Fit Center 6337 is at 4.728430 -3.839045 -0.073086 ESP Fit Center 6338 is at 5.133601 -3.698814 -0.073086 ESP Fit Center 6339 is at 5.504912 -3.484437 -0.073086 ESP Fit Center 6340 is at 5.828942 -3.203664 -0.073086 ESP Fit Center 6341 is at 6.093979 -2.866642 -0.073086 ESP Fit Center 6342 is at 6.290445 -2.485551 -0.073086 ESP Fit Center 6343 is at 6.411238 -2.074166 -0.073086 ESP Fit Center 6344 is at 6.560270 -1.647355 -0.477179 ESP Fit Center 6345 is at 6.522287 -1.225329 -0.477179 ESP Fit Center 6346 is at 6.409559 -0.816867 -0.477179 ESP Fit Center 6347 is at 4.513997 -3.989503 -0.477179 ESP Fit Center 6348 is at 4.927105 -3.895214 -0.477179 ESP Fit Center 6349 is at 5.316739 -3.728676 -0.477179 ESP Fit Center 6350 is at 5.670374 -3.495244 -0.477179 ESP Fit Center 6351 is at 5.976645 -3.202418 -0.477179 ESP Fit Center 6352 is at 6.225709 -2.859612 -0.477179 ESP Fit Center 6353 is at 6.409559 -2.477843 -0.477179 ESP Fit Center 6354 is at 6.522287 -2.069381 -0.477179 ESP Fit Center 6355 is at 6.596732 -1.647355 -0.893934 ESP Fit Center 6356 is at 6.560270 -1.230599 -0.893934 ESP Fit Center 6357 is at 6.451994 -0.826507 -0.893934 ESP Fit Center 6358 is at 6.275193 -0.447355 -0.893934 ESP Fit Center 6359 is at 6.035238 -0.104665 -0.893934 ESP Fit Center 6360 is at 4.613487 -4.010893 -0.893934 ESP Fit Center 6361 is at 5.017580 -3.902617 -0.893934 ESP Fit Center 6362 is at 5.396732 -3.725816 -0.893934 ESP Fit Center 6363 is at 5.739422 -3.485862 -0.893934 ESP Fit Center 6364 is at 6.035238 -3.190045 -0.893934 ESP Fit Center 6365 is at 6.275193 -2.847355 -0.893934 ESP Fit Center 6366 is at 6.451994 -2.468203 -0.893934 ESP Fit Center 6367 is at 6.560270 -2.064111 -0.893934 ESP Fit Center 6368 is at 6.560270 -1.647355 -1.310690 ESP Fit Center 6369 is at 6.522287 -1.225329 -1.310690 ESP Fit Center 6370 is at 6.409559 -0.816867 -1.310690 ESP Fit Center 6371 is at 6.225709 -0.435098 -1.310690 ESP Fit Center 6372 is at 5.976645 -0.092291 -1.310690 ESP Fit Center 6373 is at 4.513997 -3.989503 -1.310690 ESP Fit Center 6374 is at 4.927105 -3.895214 -1.310690 ESP Fit Center 6375 is at 5.316739 -3.728676 -1.310690 ESP Fit Center 6376 is at 5.670374 -3.495244 -1.310690 ESP Fit Center 6377 is at 5.976645 -3.202418 -1.310690 ESP Fit Center 6378 is at 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-0.827702 -2.093934 ESP Fit Center 6397 is at 5.902656 -0.459996 -2.093934 ESP Fit Center 6398 is at 5.628722 -0.140901 -2.093934 ESP Fit Center 6399 is at 4.511468 -3.701848 -2.093934 ESP Fit Center 6400 is at 4.918592 -3.596436 -2.093934 ESP Fit Center 6401 is at 5.296163 -3.411229 -2.093934 ESP Fit Center 6402 is at 5.628722 -3.153808 -2.093934 ESP Fit Center 6403 is at 5.902656 -2.834714 -2.093934 ESP Fit Center 6404 is at 6.106750 -2.467008 -2.093934 ESP Fit Center 6405 is at 6.232646 -2.065746 -2.093934 ESP Fit Center 6406 is at 6.035238 -1.647355 -2.436624 ESP Fit Center 6407 is at 5.985681 -1.223366 -2.436624 ESP Fit Center 6408 is at 5.839681 -0.822235 -2.436624 ESP Fit Center 6409 is at 5.605109 -0.465586 -2.436624 ESP Fit Center 6410 is at 5.294612 -0.172646 -2.436624 ESP Fit Center 6411 is at 4.515985 -3.457930 -2.436624 ESP Fit Center 6412 is at 4.924927 -3.335501 -2.436624 ESP Fit Center 6413 is at 5.294612 -3.122064 -2.436624 ESP Fit Center 6414 is at 5.605109 -2.829124 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ESP Fit Center 6433 is at 4.907607 -1.236931 -3.149196 ESP Fit Center 6434 is at 4.607156 -2.358230 -3.149196 ESP Fit Center 6435 is at 4.907607 -2.057779 -3.149196 ESP Fit Center 6436 is at -4.533030 0.293605 2.895691 ESP Fit Center 6437 is at -4.324371 0.655013 2.864417 ESP Fit Center 6438 is at -4.741689 0.655013 2.864417 ESP Fit Center 6439 is at -4.950348 0.293605 2.864417 ESP Fit Center 6440 is at -4.741689 -0.067804 2.864417 ESP Fit Center 6441 is at -4.533030 1.118919 2.771295 ESP Fit Center 6442 is at -4.945687 1.008348 2.771295 ESP Fit Center 6443 is at -5.247773 0.706262 2.771295 ESP Fit Center 6444 is at -5.358345 0.293605 2.771295 ESP Fit Center 6445 is at -5.247773 -0.119053 2.771295 ESP Fit Center 6446 is at -4.945687 -0.421139 2.771295 ESP Fit Center 6447 is at -4.533030 -0.531710 2.771295 ESP Fit Center 6448 is at -4.322069 1.490022 2.618404 ESP Fit Center 6449 is at -4.743991 1.490022 2.618404 ESP Fit Center 6450 is at -5.140467 1.345717 2.618404 ESP Fit Center 6451 is at -5.463678 1.074511 2.618404 ESP Fit Center 6452 is at -5.674639 0.709116 2.618404 ESP Fit Center 6453 is at -5.747905 0.293605 2.618404 ESP Fit Center 6454 is at -5.674639 -0.121907 2.618404 ESP Fit Center 6455 is at -5.463678 -0.487302 2.618404 ESP Fit Center 6456 is at -5.140467 -0.758508 2.618404 ESP Fit Center 6457 is at -4.743991 -0.902813 2.618404 ESP Fit Center 6458 is at -4.124796 1.817156 2.409159 ESP Fit Center 6459 is at -4.533030 1.870901 2.409159 ESP Fit Center 6460 is at -4.941264 1.817156 2.409159 ESP Fit Center 6461 is at -5.321678 1.659583 2.409159 ESP Fit Center 6462 is at -5.648347 1.408921 2.409159 ESP Fit Center 6463 is at -5.899009 1.082253 2.409159 ESP Fit Center 6464 is at -6.056581 0.701839 2.409159 ESP Fit Center 6465 is at -6.110326 0.293605 2.409159 ESP Fit Center 6466 is at -6.056581 -0.114630 2.409159 ESP Fit Center 6467 is at -5.899009 -0.495043 2.409159 ESP Fit Center 6468 is at -5.648347 -0.821712 2.409159 ESP Fit Center 6469 is at -5.321678 -1.072374 2.409159 ESP Fit Center 6470 is at -4.941264 -1.229946 2.409159 ESP Fit Center 6471 is at -4.429923 2.195295 2.148236 ESP Fit Center 6472 is at -4.841141 2.173000 2.148236 ESP Fit Center 6473 is at -5.237952 2.062826 2.148236 ESP Fit Center 6474 is at -5.601802 1.869925 2.148236 ESP Fit Center 6475 is at -5.915677 1.603317 2.148236 ESP Fit Center 6476 is at -6.164901 1.275469 2.148236 ESP Fit Center 6477 is at -6.337820 0.901709 2.148236 ESP Fit Center 6478 is at -6.426350 0.499516 2.148236 ESP Fit Center 6479 is at -6.426350 0.087694 2.148236 ESP Fit Center 6480 is at -6.337820 -0.314500 2.148236 ESP Fit Center 6481 is at -6.164901 -0.688259 2.148236 ESP Fit Center 6482 is at -5.915677 -1.016108 2.148236 ESP Fit Center 6483 is at -5.601802 -1.282716 2.148236 ESP Fit Center 6484 is at -5.237952 -1.475616 2.148236 ESP Fit Center 6485 is at -4.841141 -1.585790 2.148236 ESP Fit Center 6486 is at -4.428867 2.480253 1.841462 ESP Fit Center 6487 is at -4.844575 2.460451 1.841462 ESP Fit Center 6488 is at -5.249024 2.362333 1.841462 ESP Fit Center 6489 is at -5.627594 2.189445 1.841462 ESP Fit Center 6490 is at -5.966604 1.948037 1.841462 ESP Fit Center 6491 is at -6.253801 1.646834 1.841462 ESP Fit Center 6492 is at -6.478805 1.296721 1.841462 ESP Fit Center 6493 is at -6.633483 0.910353 1.841462 ESP Fit Center 6494 is at -6.712246 0.501694 1.841462 ESP Fit Center 6495 is at -6.712246 0.085515 1.841462 ESP Fit Center 6496 is at -6.633483 -0.323144 1.841462 ESP Fit Center 6497 is at -6.478805 -0.709512 1.841462 ESP Fit Center 6498 is at -6.253801 -1.059625 1.841462 ESP Fit Center 6499 is at -5.966604 -1.360828 1.841462 ESP Fit Center 6500 is at -5.627594 -1.602236 1.841462 ESP Fit Center 6501 is at -5.249024 -1.775123 1.841462 ESP Fit Center 6502 is at -4.430116 2.716291 1.495691 ESP Fit Center 6503 is at -4.841032 2.698835 1.495691 ESP Fit Center 6504 is at -5.243088 2.612186 1.495691 ESP Fit Center 6505 is at -5.624716 2.458835 1.495691 ESP Fit Center 6506 is 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1.118646 ESP Fit Center 6525 is at -6.855391 1.476907 1.118646 ESP Fit Center 6526 is at -7.011908 1.099041 1.118646 ESP Fit Center 6527 is at -7.107387 0.701343 1.118646 ESP Fit Center 6528 is at -7.139477 0.293605 1.118646 ESP Fit Center 6529 is at -7.107387 -0.114133 1.118646 ESP Fit Center 6530 is at -7.011908 -0.511832 1.118646 ESP Fit Center 6531 is at -6.855391 -0.889697 1.118646 ESP Fit Center 6532 is at -6.641690 -1.238426 1.118646 ESP Fit Center 6533 is at -6.376066 -1.549431 1.118646 ESP Fit Center 6534 is at -6.065061 -1.815055 1.118646 ESP Fit Center 6535 is at -5.716332 -2.028756 1.118646 ESP Fit Center 6536 is at -4.846093 3.005392 0.718749 ESP Fit Center 6537 is at -5.256376 2.925822 0.718749 ESP Fit Center 6538 is at -5.649705 2.784555 0.718749 ESP Fit Center 6539 is at -6.016860 2.584903 0.718749 ESP Fit Center 6540 is at -6.349235 2.331544 0.718749 ESP Fit Center 6541 is at -6.639040 2.030418 0.718749 ESP Fit Center 6542 is at -6.879482 1.688582 0.718749 ESP Fit Center 6543 is at -7.064925 1.314050 0.718749 ESP Fit Center 6544 is at -7.191022 0.915599 0.718749 ESP Fit Center 6545 is at -7.254818 0.502569 0.718749 ESP Fit Center 6546 is at -7.254818 0.084641 0.718749 ESP Fit Center 6547 is at -7.191022 -0.328389 0.718749 ESP Fit Center 6548 is at -7.064925 -0.726841 0.718749 ESP Fit Center 6549 is at -6.879482 -1.101373 0.718749 ESP Fit Center 6550 is at -6.639040 -1.443209 0.718749 ESP Fit Center 6551 is at -6.349235 -1.744335 0.718749 ESP Fit Center 6552 is at -6.016860 -1.997694 0.718749 ESP Fit Center 6553 is at -5.649705 -2.197346 0.718749 ESP Fit Center 6554 is at -5.154346 3.015770 0.304935 ESP Fit Center 6555 is at -5.553125 2.892763 0.304935 ESP Fit Center 6556 is at -5.929115 2.711695 0.304935 ESP Fit Center 6557 is at -6.273920 2.476612 0.304935 ESP Fit Center 6558 is at -6.579836 2.192763 0.304935 ESP Fit Center 6559 is at -6.840030 1.866490 0.304935 ESP Fit Center 6560 is at -7.048689 1.505082 0.304935 ESP Fit Center 6561 is at 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0.709756 -0.113553 ESP Fit Center 6580 is at -7.325201 0.293605 -0.113553 ESP Fit Center 6581 is at -7.294014 -0.122547 -0.113553 ESP Fit Center 6582 is at -7.201152 -0.529402 -0.113553 ESP Fit Center 6583 is at -7.048689 -0.917873 -0.113553 ESP Fit Center 6584 is at -6.840030 -1.279281 -0.113553 ESP Fit Center 6585 is at -6.579836 -1.605554 -0.113553 ESP Fit Center 6586 is at -6.273920 -1.889402 -0.113553 ESP Fit Center 6587 is at -5.929115 -2.124486 -0.113553 ESP Fit Center 6588 is at -4.846093 3.005392 -0.527368 ESP Fit Center 6589 is at -5.256376 2.925822 -0.527368 ESP Fit Center 6590 is at -5.649705 2.784555 -0.527368 ESP Fit Center 6591 is at -6.016860 2.584903 -0.527368 ESP Fit Center 6592 is at -6.349235 2.331544 -0.527368 ESP Fit Center 6593 is at -6.639040 2.030418 -0.527368 ESP Fit Center 6594 is at -6.879482 1.688582 -0.527368 ESP Fit Center 6595 is at -7.064925 1.314050 -0.527368 ESP Fit Center 6596 is at -7.191022 0.915599 -0.527368 ESP Fit Center 6597 is at -7.254818 0.502569 -0.527368 ESP Fit Center 6598 is at -7.254818 0.084641 -0.527368 ESP Fit Center 6599 is at -7.191022 -0.328389 -0.527368 ESP Fit Center 6600 is at -7.064925 -0.726841 -0.527368 ESP Fit Center 6601 is at -6.879482 -1.101373 -0.527368 ESP Fit Center 6602 is at -6.639040 -1.443209 -0.527368 ESP Fit Center 6603 is at -6.349235 -1.744335 -0.527368 ESP Fit Center 6604 is at -6.016860 -1.997694 -0.527368 ESP Fit Center 6605 is at -5.649705 -2.197346 -0.527368 ESP Fit Center 6606 is at -4.940768 2.867961 -0.927264 ESP Fit Center 6607 is at -5.338466 2.772483 -0.927264 ESP Fit Center 6608 is at -5.716332 2.615965 -0.927264 ESP Fit Center 6609 is at -6.065061 2.402264 -0.927264 ESP Fit Center 6610 is at -6.376066 2.136641 -0.927264 ESP Fit Center 6611 is at -6.641690 1.825635 -0.927264 ESP Fit Center 6612 is at -6.855391 1.476907 -0.927264 ESP Fit Center 6613 is at -7.011908 1.099041 -0.927264 ESP Fit Center 6614 is at -7.107387 0.701343 -0.927264 ESP Fit Center 6615 is at -7.139477 0.293605 -0.927264 ESP Fit Center 6616 is at -7.107387 -0.114133 -0.927264 ESP Fit Center 6617 is at -7.011908 -0.511832 -0.927264 ESP Fit Center 6618 is at -6.855391 -0.889697 -0.927264 ESP Fit Center 6619 is at -6.641690 -1.238426 -0.927264 ESP Fit Center 6620 is at -6.376066 -1.549431 -0.927264 ESP Fit Center 6621 is at -6.065061 -1.815055 -0.927264 ESP Fit Center 6622 is at -5.716332 -2.028756 -0.927264 ESP Fit Center 6623 is at -4.841032 2.698835 -1.304309 ESP Fit Center 6624 is at -5.243088 2.612186 -1.304309 ESP Fit Center 6625 is at -5.624716 2.458835 -1.304309 ESP Fit Center 6626 is at -5.974939 2.243194 -1.304309 ESP Fit Center 6627 is at -6.283681 1.971467 -1.304309 ESP Fit Center 6628 is at -6.542059 1.651471 -1.304309 ESP Fit Center 6629 is at -6.742642 1.292412 -1.304309 ESP Fit Center 6630 is at -6.879658 0.904619 -1.304309 ESP Fit Center 6631 is at -6.949166 0.499248 -1.304309 ESP Fit Center 6632 is at -6.949166 0.087961 -1.304309 ESP Fit Center 6633 is at -6.879658 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ESP Fit Center 6795 is at -1.465478 -3.242180 -3.086885 ESP Fit Center 6796 is at -1.055054 -3.132207 -3.086885 ESP Fit Center 6797 is at -0.754603 -2.831756 -3.086885 ESP Fit Center 6798 is at -1.048723 -2.421331 -3.195161 ESP Fit Center 6799 is at -1.257101 -2.060410 -3.195161 ESP Fit Center 6800 is at -1.673856 -2.060410 -3.195161 ESP Fit Center 6801 is at -1.882234 -2.421331 -3.195161 ESP Fit Center 6802 is at -1.673856 -2.782252 -3.195161 ESP Fit Center 6803 is at -1.257101 -2.782252 -3.195161 ESP Fit Center 6804 is at -1.465478 -2.421331 -3.231623 ESP Fit Center 6805 is at -2.963250 -1.318251 2.870908 ESP Fit Center 6806 is at -3.380569 -1.318251 2.839635 ESP Fit Center 6807 is at -3.171910 -1.679660 2.839635 ESP Fit Center 6808 is at -2.754591 -1.679660 2.839635 ESP Fit Center 6809 is at -3.788565 -1.318251 2.746512 ESP Fit Center 6810 is at -3.677994 -1.730909 2.746512 ESP Fit Center 6811 is at -3.375908 -2.032995 2.746512 ESP Fit Center 6812 is at -2.963250 -2.143566 2.746512 ESP Fit Center 6813 is at -4.104859 -1.733763 2.593621 ESP Fit Center 6814 is at -3.893898 -2.099158 2.593621 ESP Fit Center 6815 is at -3.570688 -2.370363 2.593621 ESP Fit Center 6816 is at -3.174211 -2.514669 2.593621 ESP Fit Center 6817 is at -4.486801 -1.726486 2.384377 ESP Fit Center 6818 is at -4.329229 -2.106899 2.384377 ESP Fit Center 6819 is at -4.078567 -2.433568 2.384377 ESP Fit Center 6820 is at -3.751898 -2.684230 2.384377 ESP Fit Center 6821 is at -3.371485 -2.841802 2.384377 ESP Fit Center 6822 is at -4.768040 -1.926356 2.123454 ESP Fit Center 6823 is at -4.595121 -2.300115 2.123454 ESP Fit Center 6824 is at -4.345897 -2.627964 2.123454 ESP Fit Center 6825 is at -4.032022 -2.894571 2.123454 ESP Fit Center 6826 is at -3.668172 -3.087472 2.123454 ESP Fit Center 6827 is at -5.063703 -1.935000 1.816680 ESP Fit Center 6828 is at -4.909025 -2.321368 1.816680 ESP Fit Center 6829 is at -4.684021 -2.671481 1.816680 ESP Fit Center 6830 is at -4.396824 -2.972684 1.816680 ESP Fit Center 6831 is at -4.057814 -3.214092 1.816680 ESP Fit Center 6832 is at -3.679244 -3.386979 1.816680 ESP Fit Center 6833 is at -5.172862 -2.317059 1.470908 ESP Fit Center 6834 is at -4.972280 -2.676118 1.470908 ESP Fit Center 6835 is at -4.713901 -2.996114 1.470908 ESP Fit Center 6836 is at -4.405159 -3.267841 1.470908 ESP Fit Center 6837 is at -4.054936 -3.483481 1.470908 ESP Fit Center 6838 is at -3.673308 -3.636832 1.470908 ESP Fit Center 6839 is at -5.285611 -2.501553 1.093863 ESP Fit Center 6840 is at -5.071910 -2.850282 1.093863 ESP Fit Center 6841 is at -4.806286 -3.161287 1.093863 ESP Fit Center 6842 is at -4.495281 -3.426911 1.093863 ESP Fit Center 6843 is at -4.146552 -3.640612 1.093863 ESP Fit Center 6844 is at -3.768687 -3.797129 1.093863 ESP Fit Center 6845 is at -5.495145 -2.338696 0.693967 ESP Fit Center 6846 is at -5.309702 -2.713229 0.693967 ESP Fit Center 6847 is at -5.069260 -3.055065 0.693967 ESP Fit Center 6848 is at -4.779455 -3.356191 0.693967 ESP Fit Center 6849 is at -4.447080 -3.609549 0.693967 ESP Fit Center 6850 is at -4.079925 -3.809202 0.693967 ESP Fit Center 6851 is at -3.686596 -3.950469 0.693967 ESP Fit Center 6852 is at -5.478909 -2.529729 0.280153 ESP Fit Center 6853 is at -5.270250 -2.891137 0.280153 ESP Fit Center 6854 is at -5.010056 -3.217410 0.280153 ESP Fit Center 6855 is at -4.704140 -3.501258 0.280153 ESP Fit Center 6856 is at -4.359336 -3.736342 0.280153 ESP Fit Center 6857 is at -3.983345 -3.917410 0.280153 ESP Fit Center 6858 is at -3.584567 -4.040416 0.280153 ESP Fit Center 6859 is at -5.478909 -2.529729 -0.138336 ESP Fit Center 6860 is at -5.270250 -2.891137 -0.138336 ESP Fit Center 6861 is at -5.010056 -3.217410 -0.138336 ESP Fit Center 6862 is at -4.704140 -3.501258 -0.138336 ESP Fit Center 6863 is at -4.359336 -3.736342 -0.138336 ESP Fit Center 6864 is at -3.983345 -3.917410 -0.138336 ESP Fit Center 6865 is at -3.584567 -4.040416 -0.138336 ESP Fit Center 6866 is at -5.495145 -2.338696 -0.552150 ESP Fit Center 6867 is at -5.309702 -2.713229 -0.552150 ESP Fit Center 6868 is at -5.069260 -3.055065 -0.552150 ESP Fit Center 6869 is at -4.779455 -3.356191 -0.552150 ESP Fit Center 6870 is at -4.447080 -3.609549 -0.552150 ESP Fit Center 6871 is at -4.079925 -3.809202 -0.552150 ESP Fit Center 6872 is at -3.686596 -3.950469 -0.552150 ESP Fit Center 6873 is at -5.285611 -2.501553 -0.952046 ESP Fit Center 6874 is at -5.071910 -2.850282 -0.952046 ESP Fit Center 6875 is at -4.806286 -3.161287 -0.952046 ESP Fit Center 6876 is at -4.495281 -3.426911 -0.952046 ESP Fit Center 6877 is at -4.146552 -3.640612 -0.952046 ESP Fit Center 6878 is at -3.768687 -3.797129 -0.952046 ESP Fit Center 6879 is at -5.172862 -2.317059 -1.329092 ESP Fit Center 6880 is at -4.972280 -2.676118 -1.329092 ESP Fit Center 6881 is at -4.713901 -2.996114 -1.329092 ESP Fit Center 6882 is at -4.405159 -3.267841 -1.329092 ESP Fit Center 6883 is at -4.054936 -3.483481 -1.329092 ESP Fit Center 6884 is at -3.673308 -3.636832 -1.329092 ESP Fit Center 6885 is at -5.063703 -1.935000 -1.674863 ESP Fit Center 6886 is at -4.909025 -2.321368 -1.674863 ESP Fit Center 6887 is at -4.684021 -2.671481 -1.674863 ESP Fit Center 6888 is at -4.396824 -2.972684 -1.674863 ESP Fit Center 6889 is at -4.057814 -3.214092 -1.674863 ESP Fit Center 6890 is at -3.679244 -3.386979 -1.674863 ESP Fit Center 6891 is at -4.768040 -1.926356 -1.981637 ESP Fit Center 6892 is at -4.595121 -2.300115 -1.981637 ESP Fit Center 6893 is at -4.345897 -2.627964 -1.981637 ESP Fit Center 6894 is at -4.032022 -2.894571 -1.981637 ESP Fit Center 6895 is at -3.668172 -3.087472 -1.981637 ESP Fit Center 6896 is at -4.486801 -1.726486 -2.242560 ESP Fit Center 6897 is at -4.329229 -2.106899 -2.242560 ESP Fit Center 6898 is at -4.078567 -2.433568 -2.242560 ESP Fit Center 6899 is at -3.751898 -2.684230 -2.242560 ESP Fit Center 6900 is at -3.371485 -2.841802 -2.242560 ESP Fit Center 6901 is at -4.104859 -1.733763 -2.451804 ESP Fit Center 6902 is at -3.893898 -2.099158 -2.451804 ESP Fit Center 6903 is at -3.570688 -2.370363 -2.451804 ESP Fit Center 6904 is at -3.788565 -1.318251 -2.604695 ESP Fit Center 6905 is at -3.677994 -1.730909 -2.604695 ESP Fit Center 6906 is at -3.375908 -2.032995 -2.604695 ESP Fit Center 6907 is at -3.380569 -1.318251 -2.697818 ESP Fit Center 6908 is at -3.171910 -1.679660 -2.697818 ESP Fit Center 6909 is at -2.963250 -1.318251 -2.729092 ESP Fit Center 6910 is at -1.402355 -2.384160 3.307628 ESP Fit Center 6911 is at -0.985600 -2.384160 3.271167 ESP Fit Center 6912 is at -1.193978 -2.023239 3.271167 ESP Fit Center 6913 is at -1.610733 -2.023239 3.271167 ESP Fit Center 6914 is at -1.819111 -2.384160 3.271167 ESP Fit Center 6915 is at -1.610733 -2.745081 3.271167 ESP Fit Center 6916 is at -1.193978 -2.745081 3.271167 ESP Fit Center 6917 is at -0.581507 -2.384160 3.162891 ESP Fit Center 6918 is at -0.691480 -1.973735 3.162891 ESP Fit Center 6919 is at -0.991931 -1.673284 3.162891 ESP Fit Center 6920 is at -1.402355 -1.563311 3.162891 ESP Fit Center 6921 is at -1.812780 -1.673284 3.162891 ESP Fit Center 6922 is at -2.113231 -1.973735 3.162891 ESP Fit Center 6923 is at -2.223204 -2.384160 3.162891 ESP Fit Center 6924 is at -2.113231 -2.794584 3.162891 ESP Fit Center 6925 is at -1.812780 -3.095035 3.162891 ESP Fit Center 6926 is at -1.402355 -3.205008 3.162891 ESP Fit Center 6927 is at -0.991931 -3.095035 3.162891 ESP Fit Center 6928 is at -0.691480 -2.794584 3.162891 ESP Fit Center 6929 is at -0.202355 -2.384160 2.986089 ESP Fit Center 6930 is at -0.274724 -1.973735 2.986089 ESP Fit Center 6931 is at -0.483102 -1.612814 2.986089 ESP Fit Center 6932 is at -0.802355 -1.344929 2.986089 ESP Fit Center 6933 is at -1.193978 -1.202390 2.986089 ESP Fit Center 6934 is at -1.610733 -1.202390 2.986089 ESP Fit Center 6935 is at -2.002355 -1.344929 2.986089 ESP Fit Center 6936 is at -2.321609 -1.612814 2.986089 ESP Fit Center 6937 is at -2.529987 -1.973735 2.986089 ESP Fit Center 6938 is at -2.602355 -2.384160 2.986089 ESP Fit Center 6939 is at -2.529987 -2.794584 2.986089 ESP Fit Center 6940 is at -2.321609 -3.155505 2.986089 ESP Fit Center 6941 is at -2.002355 -3.423390 2.986089 ESP Fit Center 6942 is at -1.610733 -3.565929 2.986089 ESP Fit Center 6943 is at -1.193978 -3.565929 2.986089 ESP Fit Center 6944 is at -0.802355 -3.423390 2.986089 ESP Fit Center 6945 is at -0.483102 -3.155505 2.986089 ESP Fit Center 6946 is at -0.274724 -2.794584 2.986089 ESP Fit Center 6947 is at 0.140335 -2.384160 2.746135 ESP Fit Center 6948 is at 0.083128 -1.967947 2.746135 ESP Fit Center 6949 is at -2.930677 -2.174097 2.746135 ESP Fit Center 6950 is at -2.930677 -2.594223 2.746135 ESP Fit Center 6951 is at -2.817328 -2.998769 2.746135 ESP Fit Center 6952 is at -2.599038 -3.357733 2.746135 ESP Fit Center 6953 is at -2.291995 -3.644491 2.746135 ESP Fit Center 6954 is at -1.918971 -3.837776 2.746135 ESP Fit Center 6955 is at -1.507632 -3.923254 2.746135 ESP Fit Center 6956 is at -1.088486 -3.894583 2.746135 ESP Fit Center 6957 is at -0.692618 -3.753892 2.746135 ESP Fit Center 6958 is at -0.349387 -3.511613 2.746135 ESP Fit Center 6959 is at -0.084251 -3.185717 2.746135 ESP Fit Center 6960 is at 0.083128 -2.800372 2.746135 ESP Fit Center 6961 is at -3.129987 -3.012966 2.450319 ESP Fit Center 6962 is at -2.938405 -3.394436 2.450319 ESP Fit Center 6963 is at -2.664015 -3.721441 2.450319 ESP Fit Center 6964 is at -2.321609 -3.976353 2.450319 ESP Fit Center 6965 is at -1.929645 -4.145430 2.450319 ESP Fit Center 6966 is at -1.509255 -4.219556 2.450319 ESP Fit Center 6967 is at -1.083102 -4.194735 2.450319 ESP Fit Center 6968 is at -0.674160 -4.072306 2.450319 ESP Fit Center 6969 is at -0.304475 -3.858868 2.450319 ESP Fit Center 6970 is at 0.006022 -3.565929 2.450319 ESP Fit Center 6971 is at 0.240594 -3.209280 2.450319 ESP Fit Center 6972 is at 0.386594 -2.808148 2.450319 ESP Fit Center 6973 is at -3.219651 -3.392841 2.107628 ESP Fit Center 6974 is at -2.979405 -3.738012 2.107628 ESP Fit Center 6975 is at -2.674594 -4.027756 2.107628 ESP Fit Center 6976 is at -2.317697 -4.250211 2.107628 ESP Fit Center 6977 is at -1.923327 -4.396270 2.107628 ESP Fit Center 6978 is at -1.507628 -4.459953 2.107628 ESP Fit Center 6979 is at -1.087619 -4.438652 2.107628 ESP Fit Center 6980 is at -0.680495 -4.333241 2.107628 ESP Fit Center 6981 is at -0.302924 -4.148034 2.107628 ESP Fit Center 6982 is at 0.029635 -3.890613 2.107628 ESP Fit Center 6983 is at 0.303569 -3.571518 2.107628 ESP Fit Center 6984 is at 0.507663 -3.203813 2.107628 ESP Fit Center 6985 is at -3.175111 -3.778270 1.728477 ESP Fit Center 6986 is at -2.879238 -4.088573 1.728477 ESP Fit Center 6987 is at -2.529987 -4.337274 1.728477 ESP Fit Center 6988 is at -2.139979 -4.515384 1.728477 ESP Fit Center 6989 is at -1.723313 -4.616467 1.728477 ESP Fit Center 6990 is at -1.295046 -4.636867 1.728477 ESP Fit Center 6991 is at -0.870657 -4.575850 1.728477 ESP Fit Center 6992 is at -0.465486 -4.435618 1.728477 ESP Fit Center 6993 is at -0.094175 -4.221242 1.728477 ESP Fit Center 6994 is at 0.229855 -3.940469 1.728477 ESP Fit Center 6995 is at 0.494892 -3.603446 1.728477 ESP Fit Center 6996 is at -3.035709 -4.092513 1.324384 ESP Fit Center 6997 is at -2.704422 -4.356706 1.324384 ESP Fit Center 6998 is at -2.331285 -4.557499 1.324384 ESP Fit Center 6999 is at -1.928292 -4.688439 1.324384 ESP Fit Center 7000 is at -1.508395 -4.745318 1.324384 ESP Fit Center 7001 is at -1.085090 -4.726308 1.324384 ESP Fit Center 7002 is at -0.671982 -4.632018 1.324384 ESP Fit Center 7003 is at -0.282349 -4.465481 1.324384 ESP Fit Center 7004 is at 0.071287 -4.232049 1.324384 ESP Fit Center 7005 is at 0.377558 -3.939223 1.324384 ESP Fit Center 7006 is at -2.602355 -4.462621 0.907628 ESP Fit Center 7007 is at -2.223204 -4.639422 0.907628 ESP Fit Center 7008 is at -1.819111 -4.747698 0.907628 ESP Fit Center 7009 is at -1.402355 -4.784160 0.907628 ESP Fit Center 7010 is at -0.985600 -4.747698 0.907628 ESP Fit Center 7011 is at -0.581507 -4.639422 0.907628 ESP Fit Center 7012 is at -0.202355 -4.462621 0.907628 ESP Fit Center 7013 is at 0.140335 -4.222666 0.907628 ESP Fit Center 7014 is at -1.508395 -4.745318 0.490873 ESP Fit Center 7015 is at -1.085090 -4.726308 0.490873 ESP Fit Center 7016 is at -0.671982 -4.632018 0.490873 ESP Fit Center 7017 is at -0.282349 -4.465481 0.490873 ESP Fit Center 7018 is at 0.071287 -4.232049 0.490873 Entering OneElI... OneElI was handed 2147345811 working-precision words. Calculate electrostatic properties NBasis = 243 MinDer = 0 MaxDer = 0 NGrid = 7018 NMatD = 1 Requested accuracy = 0.1000D-05 PrtBox: NBox= 1 Levels= 1 BoxLen= 22.46 SMaxX= 17.25 Shift= 8.566185 4.575653 1.689291 Box 1 Number 0 centers from 1 to 78: ShPair: Thresh= 1.00D-06 NBox= 1 BxSize= 2.25D+01 RnKept= 1.20D+01 NSMCal= 3081 NSMKep= 1700 PrmmSu-InSpLW: IPartL= 0 NPrtUS= 12 NPrtUL= 1 DoSpLW=F IThBeg= 0 IThEnd= 11 NThAct= 12. PrSmSu: IncTry= 512 NBBP= 11930600 NTPThr= 100 NPartT= 12 Incr= 512 LDynOK=F GPUOK=F. PrsmSu: NPrtUS= 12 ThrOK=T IAlg=2 LenDen= 0 ISkipM=0 DoSpLW=F IThBeg= 0 IThEnd= 11. Prism: IPart= 0 DynPar=F LinDyn=F Incr= 512. PRISM was handed 178782751 working-precision words and 1700 shell-pairs PRISM was handed 178782751 working-precision words and 1700 shell-pairs PRISM was handed 178782751 working-precision words and 1700 shell-pairs PRISM was handed 178782751 working-precision words and 1700 shell-pairs PRISM was handed 178782751 working-precision words and 1700 shell-pairs PRISM was handed 178782751 working-precision words and 1700 shell-pairs PRISM was handed 178782751 working-precision words and 1700 shell-pairs PRISM was handed 178782751 working-precision words and 1700 shell-pairs PRISM was handed 178782751 working-precision words and 1700 shell-pairs PRISM was handed 178782751 working-precision words and 1700 shell-pairs PRISM was handed 178782751 working-precision words and 1700 shell-pairs PRISM was handed 178782751 working-precision words and 1700 shell-pairs IPart= 7 NShTot= 954448 NBatch= 1006 AvBLen= 948.8 PrsmSu-ThDecC: IPartSL= 7 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 12. IPart= 6 NShTot= 961466 NBatch= 1015 AvBLen= 947.3 PrsmSu-ThDecC: IPartSL= 6 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 11. IPart= 5 NShTot= 982520 NBatch= 1041 AvBLen= 943.8 PrsmSu-ThDecC: IPartSL= 5 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 10. IPart= 0 NShTot= 1129898 NBatch= 1244 AvBLen= 908.3 PrsmSu-ThDecC: IPartSL= 0 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 9. IPart= 11 NShTot= 898304 NBatch= 946 AvBLen= 949.6 PrsmSu-ThDecC: IPartSL= 11 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 8. IPart= 10 NShTot= 905322 NBatch= 955 AvBLen= 948.0 PrsmSu-ThDecC: IPartSL= 10 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 7. IPart= 9 NShTot= 912340 NBatch= 959 AvBLen= 951.3 PrsmSu-ThDecC: IPartSL= 9 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 6. IPart= 8 NShTot= 940412 NBatch= 990 AvBLen= 949.9 PrsmSu-ThDecC: IPartSL= 8 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 5. IPart= 3 NShTot= 1038664 NBatch= 1098 AvBLen= 946.0 PrsmSu-ThDecC: IPartSL= 3 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 4. IPart= 4 NShTot= 1024628 NBatch= 1087 AvBLen= 942.6 PrsmSu-ThDecC: IPartSL= 4 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 3. IPart= 2 NShTot= 1080772 NBatch= 1173 AvBLen= 921.4 PrsmSu-ThDecC: IPartSL= 2 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 2. IPart= 1 NShTot= 1101826 NBatch= 1202 AvBLen= 916.7 PrsmSu-ThDecC: IPartSL= 1 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 1. PrSmSu: NxtVal= 6145. 6994 points will be used for fitting atomic charges Fitting point charges to electrostatic potential Charges from ESP fit, RMS= 0.00136 RRMS= 0.05090: ESP charges: 1 1 C 0.472023 2 C -0.453298 3 O -0.725073 4 N -0.899277 5 C 1.018496 6 N -0.849091 7 C 0.933428 8 O -0.634251 9 N -0.341499 10 C 0.169201 11 C -0.624763 12 H 0.051082 13 H 0.118668 14 H 0.129840 15 C 1.055993 16 H 0.463650 17 H 0.187912 18 C 0.641727 19 H 0.118444 20 H 0.461104 21 O -0.622738 22 H -0.025323 23 O -0.610123 24 H -0.036134 Sum of ESP charges = 0.00000 ESP charges with hydrogens summed into heavy atoms: 1 1 C 0.523105 2 C -0.086346 3 O -0.263968 4 N -0.435626 5 C 1.018496 6 N -0.849091 7 C 0.933428 8 O -0.634251 9 N -0.341499 10 C 0.357113 11 C -0.624763 15 C 1.055993 18 C 0.580270 21 O -0.622738 23 O -0.610123 Charge= 0.00000 Dipole= 5.1094 -5.3747 0.7809 Tot= 7.4568 ----------------------------------------------------------------- Electrostatic Properties (Atomic Units) ----------------------------------------------------------------- Center Electric -------- Electric Field -------- Potential X Y Z ----------------------------------------------------------------- 1 Atom -14.596199 2 Atom -14.710459 3 Atom -22.268609 4 Atom -18.249403 5 Atom -14.580644 6 Atom -18.337846 7 Atom -14.556222 8 Atom -22.352175 9 Atom -18.247412 10 Atom -14.621715 11 Atom -14.684277 12 Atom -1.087754 13 Atom -1.089440 14 Atom -1.093529 15 Atom -14.501675 16 Atom -0.954977 17 Atom -1.024474 18 Atom -14.614259 19 Atom -1.090462 20 Atom -0.944943 21 Atom -22.326632 22 Atom -1.073335 23 Atom -22.226966 24 Atom -1.072907 25 Fit 0.060480 26 Fit 0.007484 27 Fit 0.005780 28 Fit 0.004839 29 Fit 0.003237 30 Fit 0.015705 31 Fit 0.015322 32 Fit 0.016427 33 Fit 0.017298 34 Fit 0.016346 35 Fit 0.015282 36 Fit 0.015007 37 Fit 0.017631 38 Fit 0.017470 39 Fit 0.016215 40 Fit 0.015942 41 Fit 0.014749 42 Fit 0.018419 43 Fit 0.017676 44 Fit 0.017051 45 Fit 0.014311 46 Fit 0.019391 47 Fit 0.021883 48 Fit 0.021330 49 Fit 0.014042 50 Fit 0.023908 51 Fit 0.026665 52 Fit 0.023287 53 Fit 0.012662 54 Fit 0.014434 55 Fit 0.028539 56 Fit 0.017393 57 Fit 0.012424 58 Fit 0.025281 59 Fit 0.032481 60 Fit 0.027673 61 Fit 0.022754 62 Fit 0.016710 63 Fit 0.022659 64 Fit 0.016313 65 Fit 0.011091 66 Fit 0.013761 67 Fit 0.022584 68 Fit 0.012789 69 Fit 0.007341 70 Fit 0.010089 71 Fit 0.019310 72 Fit 0.008844 73 Fit 0.004244 74 Fit 0.007016 75 Fit 0.015769 76 Fit 0.010281 77 Fit 0.002281 78 Fit 0.001984 79 Fit 0.007732 80 Fit 0.018954 81 Fit 0.002496 82 Fit -0.001766 83 Fit -0.000161 84 Fit 0.006636 85 Fit 0.018414 86 Fit 0.003838 87 Fit -0.002857 88 Fit -0.005543 89 Fit -0.003680 90 Fit 0.002650 91 Fit 0.013332 92 Fit 0.031378 93 Fit 0.003844 94 Fit -0.001030 95 Fit -0.005896 96 Fit -0.009168 97 Fit -0.009295 98 Fit -0.005481 99 Fit 0.002394 100 Fit 0.014214 101 Fit 0.015214 102 Fit 0.009066 103 Fit -0.003991 104 Fit -0.005954 105 Fit -0.006813 106 Fit -0.008226 107 Fit -0.010628 108 Fit -0.013014 109 Fit -0.013997 110 Fit -0.012289 111 Fit -0.007186 112 Fit 0.001348 113 Fit 0.012848 114 Fit 0.014973 115 Fit 0.006626 116 Fit -0.000510 117 Fit -0.005711 118 Fit -0.009351 119 Fit -0.012122 120 Fit -0.014206 121 Fit -0.015719 122 Fit -0.017109 123 Fit -0.017914 124 Fit -0.016816 125 Fit -0.012613 126 Fit -0.005026 127 Fit 0.005045 128 Fit 0.015310 129 Fit 0.004504 130 Fit -0.000480 131 Fit -0.007221 132 Fit -0.012786 133 Fit -0.016609 134 Fit -0.019043 135 Fit -0.020321 136 Fit -0.020130 137 Fit -0.017298 138 Fit -0.011083 139 Fit -0.002821 140 Fit 0.003742 141 Fit -0.007876 142 Fit -0.012704 143 Fit -0.018145 144 Fit -0.020184 145 Fit -0.017483 146 Fit -0.010729 147 Fit -0.016050 148 Fit 0.014316 149 Fit 0.017242 150 Fit 0.011323 151 Fit 0.009885 152 Fit 0.012734 153 Fit 0.020161 154 Fit 0.022358 155 Fit 0.013862 156 Fit 0.010001 157 Fit 0.009883 158 Fit 0.009504 159 Fit 0.008410 160 Fit 0.011000 161 Fit 0.033905 162 Fit 0.033361 163 Fit 0.009167 164 Fit 0.009361 165 Fit 0.012777 166 Fit 0.014564 167 Fit 0.012305 168 Fit 0.007423 169 Fit 0.004645 170 Fit 0.046988 171 Fit 0.009227 172 Fit 0.007347 173 Fit 0.000140 174 Fit 0.004145 175 Fit 0.005987 176 Fit 0.009306 177 Fit 0.000728 178 Fit 0.007023 179 Fit 0.011717 180 Fit 0.014277 181 Fit 0.012438 182 Fit 0.007994 183 Fit 0.005584 184 Fit 0.011898 185 Fit 0.008290 186 Fit 0.008816 187 Fit 0.008799 188 Fit 0.007728 189 Fit 0.009722 190 Fit 0.017403 191 Fit 0.030332 192 Fit 0.030988 193 Fit 0.015567 194 Fit 0.009794 195 Fit 0.008517 196 Fit 0.010818 197 Fit 0.017402 198 Fit 0.020100 199 Fit 0.012405 200 Fit 0.025380 201 Fit 0.023480 202 Fit 0.017878 203 Fit 0.020155 204 Fit 0.026915 205 Fit 0.031741 206 Fit 0.028973 207 Fit 0.023389 208 Fit 0.009232 209 Fit 0.014795 210 Fit 0.036046 211 Fit 0.039013 212 Fit 0.027714 213 Fit 0.006638 214 Fit 0.050125 215 Fit 0.043113 216 Fit 0.027814 217 Fit 0.018463 218 Fit 0.010506 219 Fit 0.031162 220 Fit 0.033295 221 Fit 0.022830 222 Fit 0.017873 223 Fit 0.011940 224 Fit 0.015288 225 Fit 0.022589 226 Fit 0.026609 227 Fit 0.023562 228 Fit 0.020120 229 Fit -0.001385 230 Fit 0.000395 231 Fit -0.010509 232 Fit -0.010232 233 Fit 0.000098 234 Fit 0.008805 235 Fit 0.008913 236 Fit -0.009367 237 Fit -0.019669 238 Fit -0.022225 239 Fit -0.017372 240 Fit -0.007254 241 Fit 0.004801 242 Fit 0.020287 243 Fit -0.022741 244 Fit -0.030621 245 Fit -0.032157 246 Fit -0.028182 247 Fit -0.019132 248 Fit -0.006826 249 Fit 0.032206 250 Fit -0.038858 251 Fit -0.042234 252 Fit -0.041765 253 Fit -0.037816 254 Fit -0.029711 255 Fit -0.017307 256 Fit -0.002334 257 Fit -0.053502 258 Fit -0.050027 259 Fit -0.044758 260 Fit -0.036065 261 Fit -0.022694 262 Fit -0.004347 263 Fit -0.061115 264 Fit -0.055216 265 Fit -0.048291 266 Fit -0.038005 267 Fit -0.022342 268 Fit -0.071889 269 Fit -0.063042 270 Fit -0.055943 271 Fit -0.047189 272 Fit -0.034227 273 Fit -0.014278 274 Fit -0.067356 275 Fit -0.059643 276 Fit -0.051430 277 Fit -0.039923 278 Fit -0.022469 279 Fit -0.074690 280 Fit -0.064761 281 Fit -0.057272 282 Fit -0.048496 283 Fit -0.035823 284 Fit -0.016684 285 Fit -0.065016 286 Fit -0.057967 287 Fit -0.050734 288 Fit -0.040699 289 Fit -0.025932 290 Fit -0.004886 291 Fit -0.059104 292 Fit -0.053985 293 Fit -0.048178 294 Fit -0.039677 295 Fit -0.027182 296 Fit -0.010559 297 Fit -0.048311 298 Fit -0.046379 299 Fit -0.041954 300 Fit -0.034118 301 Fit -0.022581 302 Fit -0.008756 303 Fit -0.036337 304 Fit -0.036985 305 Fit -0.032869 306 Fit -0.024308 307 Fit -0.012751 308 Fit -0.000714 309 Fit -0.015064 310 Fit -0.025068 311 Fit -0.027260 312 Fit -0.022589 313 Fit -0.013088 314 Fit -0.001868 315 Fit 0.014632 316 Fit 0.014336 317 Fit -0.005050 318 Fit -0.015848 319 Fit -0.015703 320 Fit -0.006070 321 Fit 0.002282 322 Fit 0.003027 323 Fit -0.007097 324 Fit 0.014054 325 Fit 0.012825 326 Fit 0.002982 327 Fit 0.004251 328 Fit 0.013921 329 Fit 0.022047 330 Fit 0.021155 331 Fit -0.003659 332 Fit -0.012497 333 Fit -0.012501 334 Fit -0.007894 335 Fit 0.023416 336 Fit 0.028593 337 Fit -0.025242 338 Fit 0.035364 339 Fit -0.009640 340 Fit -0.032300 341 Fit 0.024960 342 Fit -0.005777 343 Fit -0.018872 344 Fit -0.022351 345 Fit -0.014991 346 Fit 0.014909 347 Fit 0.017711 348 Fit 0.005101 349 Fit -0.001179 350 Fit -0.008906 351 Fit -0.004878 352 Fit 0.005261 353 Fit 0.011234 354 Fit 0.007902 355 Fit 0.002877 356 Fit -0.026389 357 Fit -0.028604 358 Fit -0.037747 359 Fit -0.036266 360 Fit -0.023195 361 Fit -0.015089 362 Fit -0.030265 363 Fit -0.040384 364 Fit -0.046092 365 Fit -0.047960 366 Fit -0.045234 367 Fit -0.036236 368 Fit -0.032148 369 Fit -0.042050 370 Fit -0.048457 371 Fit -0.052655 372 Fit -0.054993 373 Fit -0.055046 374 Fit -0.051916 375 Fit -0.044229 376 Fit -0.034259 377 Fit -0.043203 378 Fit -0.049340 379 Fit -0.053830 380 Fit -0.057304 381 Fit -0.059882 382 Fit -0.061287 383 Fit -0.061064 384 Fit -0.058806 385 Fit -0.053932 386 Fit -0.035719 387 Fit -0.044363 388 Fit -0.050338 389 Fit -0.054784 390 Fit -0.058440 391 Fit -0.061611 392 Fit -0.064219 393 Fit -0.065953 394 Fit -0.066518 395 Fit -0.065981 396 Fit -0.022808 397 Fit -0.035955 398 Fit -0.044664 399 Fit -0.050575 400 Fit -0.054917 401 Fit -0.058505 402 Fit -0.061766 403 Fit -0.064785 404 Fit -0.067394 405 Fit -0.069321 406 Fit -0.070438 407 Fit -0.071159 408 Fit -0.022665 409 Fit -0.035189 410 Fit -0.044738 411 Fit -0.050887 412 Fit -0.055269 413 Fit -0.058851 414 Fit -0.062142 415 Fit -0.065286 416 Fit -0.068158 417 Fit -0.070499 418 Fit -0.072139 419 Fit -0.073371 420 Fit -0.075595 421 Fit -0.034254 422 Fit -0.044663 423 Fit -0.051060 424 Fit -0.055510 425 Fit -0.059104 426 Fit -0.062392 427 Fit -0.065532 428 Fit -0.068402 429 Fit -0.070740 430 Fit -0.072360 431 Fit -0.073511 432 Fit -0.075477 433 Fit -0.034241 434 Fit -0.044819 435 Fit -0.051261 436 Fit -0.055727 437 Fit -0.059318 438 Fit -0.062557 439 Fit -0.065560 440 Fit -0.068164 441 Fit -0.070079 442 Fit -0.071119 443 Fit -0.071548 444 Fit -0.035595 445 Fit -0.045653 446 Fit -0.051937 447 Fit -0.056368 448 Fit -0.059944 449 Fit -0.063054 450 Fit -0.065637 451 Fit -0.067363 452 Fit -0.067865 453 Fit -0.067024 454 Fit -0.065020 455 Fit -0.037601 456 Fit -0.046350 457 Fit -0.052189 458 Fit -0.056397 459 Fit -0.059676 460 Fit -0.062162 461 Fit -0.063557 462 Fit -0.063341 463 Fit -0.060982 464 Fit -0.055775 465 Fit -0.039161 466 Fit -0.047153 467 Fit -0.052597 468 Fit -0.056287 469 Fit -0.058426 470 Fit -0.058513 471 Fit -0.055591 472 Fit -0.048365 473 Fit -0.005454 474 Fit -0.028222 475 Fit -0.039595 476 Fit -0.046977 477 Fit -0.051460 478 Fit -0.052958 479 Fit -0.050512 480 Fit -0.042584 481 Fit -0.019320 482 Fit -0.029732 483 Fit -0.038675 484 Fit -0.045229 485 Fit -0.043641 486 Fit -0.032810 487 Fit -0.023811 488 Fit -0.028486 489 Fit -0.036375 490 Fit 0.024449 491 Fit 0.026287 492 Fit 0.028795 493 Fit 0.028667 494 Fit 0.029347 495 Fit 0.034786 496 Fit 0.024747 497 Fit 0.007544 498 Fit 0.006433 499 Fit 0.016681 500 Fit 0.016294 501 Fit 0.014974 502 Fit 0.003827 503 Fit 0.003953 504 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6941 Fit 0.017134 6942 Fit 0.019554 6943 Fit 0.021899 6944 Fit 0.024063 6945 Fit 0.025901 6946 Fit 0.027159 6947 Fit 0.030694 6948 Fit 0.029865 6949 Fit 0.008347 6950 Fit 0.008714 6951 Fit 0.010478 6952 Fit 0.012885 6953 Fit 0.015468 6954 Fit 0.018015 6955 Fit 0.020463 6956 Fit 0.022807 6957 Fit 0.025050 6958 Fit 0.027156 6959 Fit 0.028998 6960 Fit 0.030308 6961 Fit 0.006743 6962 Fit 0.009771 6963 Fit 0.012794 6964 Fit 0.015642 6965 Fit 0.018295 6966 Fit 0.020795 6967 Fit 0.023201 6968 Fit 0.025568 6969 Fit 0.027928 6970 Fit 0.030257 6971 Fit 0.032419 6972 Fit 0.034088 6973 Fit 0.006233 6974 Fit 0.009889 6975 Fit 0.013142 6976 Fit 0.016046 6977 Fit 0.018693 6978 Fit 0.021178 6979 Fit 0.023588 6980 Fit 0.026003 6981 Fit 0.028496 6982 Fit 0.031117 6983 Fit 0.033857 6984 Fit 0.036575 6985 Fit 0.007629 6986 Fit 0.011494 6987 Fit 0.014778 6988 Fit 0.017669 6989 Fit 0.020319 6990 Fit 0.022853 6991 Fit 0.025382 6992 Fit 0.028013 6993 Fit 0.030857 6994 Fit 0.034023 6995 Fit 0.037577 6996 Fit 0.009961 6997 Fit 0.013622 6998 Fit 0.016732 6999 Fit 0.019513 7000 Fit 0.022125 7001 Fit 0.024699 7002 Fit 0.027359 7003 Fit 0.030245 7004 Fit 0.033524 7005 Fit 0.037410 7006 Fit 0.014987 7007 Fit 0.018053 7008 Fit 0.020826 7009 Fit 0.023478 7010 Fit 0.026151 7011 Fit 0.028991 7012 Fit 0.032180 7013 Fit 0.035978 7014 Fit 0.023753 7015 Fit 0.026592 7016 Fit 0.029622 7017 Fit 0.033072 7018 Fit 0.037298 ----------------------------------------------------------------- Leave Link 602 at Tue May 7 07:20:29 2024, MaxMem= 2147483648 cpu: 1.4 elap: 0.2 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 0.033950163 -0.019040122 0.028911099 2 6 0.002704567 0.003667949 -0.001472285 3 8 0.022449348 -0.000947559 0.004216249 4 7 -0.008732604 -0.056238779 0.022066285 5 6 0.014262717 -0.011793572 0.005745175 6 7 0.016310340 -0.004344055 0.003763687 7 6 0.052217689 0.039184729 -0.014172922 8 8 -0.057368306 -0.029939419 0.008521734 9 7 -0.037002369 -0.007817408 -0.016538336 10 6 0.023889977 0.030072569 -0.008977793 11 6 -0.023253648 0.010929105 -0.005845040 12 1 -0.017988699 -0.002121983 0.000281175 13 1 -0.007408518 0.006781248 0.000694998 14 1 -0.000544004 -0.011795530 0.000133488 15 6 -0.075356803 0.045365540 -0.025566384 16 1 -0.003695839 0.003953223 -0.002027407 17 1 0.008998061 -0.008773296 0.003177293 18 6 0.003816826 -0.021758618 0.008969623 19 1 0.010185000 0.002625220 -0.003159801 20 1 -0.030956304 0.025512999 -0.013132712 21 8 0.068102152 -0.055677035 0.029072814 22 1 -0.008857668 0.013660325 -0.001104793 23 8 0.022341177 0.038577647 -0.013507376 24 1 -0.008063254 0.009916823 -0.010048771 ------------------------------------------------------------------- Cartesian Forces: Max 0.075356803 RMS 0.024406584 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.092565587 RMS 0.014505099 Search for a local minimum. Step number 1 out of a maximum of 134 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Second derivative matrix not updated -- first step. ITU= 0 Eigenvalues --- 0.00265 0.01126 0.01278 0.01341 0.01603 Eigenvalues --- 0.01637 0.01746 0.01779 0.01828 0.01846 Eigenvalues --- 0.01904 0.01929 0.02123 0.02492 0.02641 Eigenvalues --- 0.05180 0.05462 0.05748 0.05754 0.05866 Eigenvalues --- 0.07644 0.07708 0.11998 0.12557 0.16000 Eigenvalues --- 0.16000 0.16000 0.16000 0.16000 0.16000 Eigenvalues --- 0.16943 0.19795 0.22977 0.23527 0.23998 Eigenvalues --- 0.25000 0.25000 0.25000 0.25000 0.25000 Eigenvalues --- 0.25000 0.28709 0.32012 0.33694 0.33752 Eigenvalues --- 0.33807 0.33813 0.33814 0.33827 0.35597 Eigenvalues --- 0.38376 0.40810 0.41492 0.42062 0.44250 Eigenvalues --- 0.45139 0.45289 0.47074 0.48131 0.48902 Eigenvalues --- 0.49608 0.49733 0.58196 0.72715 0.88476 Eigenvalues --- 0.88716 RFO step: Lambda=-5.20449183D-02 EMin= 2.65078030D-03 Linear search not attempted -- first point. Maximum step size ( 0.300) exceeded in Quadratic search. -- Step size scaled by 0.851 Iteration 1 RMS(Cart)= 0.06500351 RMS(Int)= 0.00160666 Iteration 2 RMS(Cart)= 0.00215167 RMS(Int)= 0.00057071 Iteration 3 RMS(Cart)= 0.00000214 RMS(Int)= 0.00057071 Iteration 4 RMS(Cart)= 0.00000000 RMS(Int)= 0.00057071 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.90614 -0.00304 0.00000 -0.00762 -0.00762 2.89853 R2 2.69575 -0.02064 0.00000 -0.03760 -0.03760 2.65815 R3 2.70468 0.01199 0.00000 0.02216 0.02216 2.72684 R4 2.07623 -0.01579 0.00000 -0.03441 -0.03441 2.04182 R5 2.07645 -0.00925 0.00000 -0.02017 -0.02017 2.05628 R6 2.07750 -0.01144 0.00000 -0.02498 -0.02498 2.05252 R7 2.07849 -0.01073 0.00000 -0.02347 -0.02347 2.05502 R8 1.86835 -0.04210 0.00000 -0.06518 -0.06518 1.80317 R9 2.60528 -0.01364 0.00000 -0.02242 -0.02220 2.58308 R10 2.63602 -0.02183 0.00000 -0.03921 -0.03901 2.59701 R11 1.87690 0.00378 0.00000 0.00595 0.00595 1.88285 R12 2.40583 0.00747 0.00000 0.00835 0.00849 2.41431 R13 2.74291 -0.02087 0.00000 -0.03691 -0.03675 2.70616 R14 2.63993 -0.02186 0.00000 -0.03687 -0.03687 2.60306 R15 2.33643 -0.06485 0.00000 -0.05888 -0.05888 2.27755 R16 2.62984 -0.00638 0.00000 -0.01175 -0.01188 2.61796 R17 2.62327 -0.01916 0.00000 -0.03153 -0.03167 2.59160 R18 2.50957 0.00556 0.00000 0.00779 0.00778 2.51735 R19 2.00521 0.00779 0.00000 0.01520 0.01520 2.02041 R20 2.82898 0.00844 0.00000 0.02341 0.02322 2.85220 R21 2.33530 -0.09257 0.00000 -0.08383 -0.08383 2.25147 R22 2.59335 -0.04599 0.00000 -0.07219 -0.07221 2.52114 R23 2.07646 -0.01079 0.00000 -0.02352 -0.02352 2.05294 R24 2.67161 -0.00467 0.00000 -0.00721 -0.00742 2.66420 R25 2.07656 -0.01068 0.00000 -0.02329 -0.02329 2.05327 A1 1.88933 0.00949 0.00000 0.04590 0.04685 1.93617 A2 1.89613 0.01444 0.00000 0.05341 0.05429 1.95042 A3 1.89768 -0.00247 0.00000 0.01186 0.01208 1.90977 A4 1.92074 -0.01819 0.00000 -0.07347 -0.07519 1.84555 A5 1.93812 0.00233 0.00000 0.00264 -0.00028 1.93783 A6 1.92094 -0.00483 0.00000 -0.03647 -0.03795 1.88299 A7 1.90873 0.00456 0.00000 0.01763 0.01755 1.92629 A8 1.90959 0.00264 0.00000 0.01074 0.01066 1.92026 A9 1.90994 0.00176 0.00000 0.00757 0.00750 1.91745 A10 1.91318 -0.00394 0.00000 -0.01682 -0.01690 1.89628 A11 1.91094 -0.00326 0.00000 -0.01339 -0.01346 1.89748 A12 1.91141 -0.00174 0.00000 -0.00564 -0.00570 1.90571 A13 1.90935 -0.00564 0.00000 -0.02261 -0.02261 1.88673 A14 2.10119 0.02723 0.00000 0.07683 0.07725 2.17844 A15 2.08991 -0.00952 0.00000 -0.02197 -0.02218 2.06772 A16 2.09209 -0.01771 0.00000 -0.05486 -0.05506 2.03702 A17 2.09116 -0.00266 0.00000 -0.01030 -0.01057 2.08059 A18 2.08497 -0.01607 0.00000 -0.04557 -0.04542 2.03955 A19 2.10705 0.01874 0.00000 0.05587 0.05599 2.16304 A20 2.10589 -0.00486 0.00000 -0.01256 -0.01234 2.09355 A21 2.09520 0.01266 0.00000 0.03710 0.03711 2.13231 A22 2.08943 -0.00851 0.00000 -0.02687 -0.02703 2.06240 A23 2.09855 -0.00415 0.00000 -0.01024 -0.01022 2.08833 A24 2.10159 -0.00964 0.00000 -0.02564 -0.02552 2.07608 A25 2.09818 -0.00043 0.00000 0.00030 0.00042 2.09860 A26 2.08341 0.01007 0.00000 0.02535 0.02510 2.10851 A27 2.08754 0.00689 0.00000 0.02207 0.02194 2.10948 A28 2.09886 -0.01377 0.00000 -0.05246 -0.05240 2.04647 A29 2.09678 0.00688 0.00000 0.03039 0.03045 2.12723 A30 2.09304 -0.02233 0.00000 -0.06386 -0.06366 2.02938 A31 2.10294 -0.00372 0.00000 -0.00269 -0.00291 2.10004 A32 2.08720 0.02605 0.00000 0.06655 0.06657 2.15376 A33 2.07922 0.01120 0.00000 0.03604 0.03595 2.11517 A34 2.12432 -0.01345 0.00000 -0.04689 -0.04671 2.07761 A35 2.07964 0.00225 0.00000 0.01085 0.01076 2.09040 A36 1.89549 0.00880 0.00000 0.03965 0.03898 1.93448 A37 1.99361 -0.00367 0.00000 -0.00657 -0.00676 1.98685 A38 1.89565 0.00884 0.00000 0.03977 0.03910 1.93476 A39 1.92190 -0.00801 0.00000 -0.04768 -0.04755 1.87435 A40 1.82849 0.00305 0.00000 0.02776 0.02536 1.85386 A41 1.92115 -0.00806 0.00000 -0.04803 -0.04789 1.87326 A42 2.15933 0.00967 0.00000 0.02488 0.02456 2.18388 D1 1.05231 0.00522 0.00000 0.02487 0.02444 1.07675 D2 -3.13516 0.00480 0.00000 0.02162 0.02119 -3.11397 D3 -1.04088 0.00535 0.00000 0.02589 0.02546 -1.01542 D4 3.13774 -0.00292 0.00000 -0.00646 -0.00614 3.13160 D5 -1.04973 -0.00334 0.00000 -0.00972 -0.00939 -1.05911 D6 1.04456 -0.00279 0.00000 -0.00544 -0.00512 1.03944 D7 -1.05493 -0.00176 0.00000 -0.01236 -0.01226 -1.06719 D8 1.04078 -0.00218 0.00000 -0.01561 -0.01550 1.02528 D9 3.13506 -0.00163 0.00000 -0.01134 -0.01123 3.12383 D10 -1.04878 0.00248 0.00000 -0.00240 -0.00332 -1.05210 D11 -3.11865 -0.01019 0.00000 -0.05213 -0.05116 3.11338 D12 1.03314 0.00678 0.00000 0.04243 0.04238 1.07553 D13 1.65466 -0.00265 0.00000 -0.01222 -0.01187 1.64279 D14 -1.48448 -0.00284 0.00000 -0.01441 -0.01406 -1.49855 D15 -2.56284 0.00692 0.00000 0.03268 0.03091 -2.53193 D16 0.58120 0.00673 0.00000 0.03049 0.02872 0.60993 D17 -0.42130 -0.00553 0.00000 -0.03747 -0.03605 -0.45734 D18 2.72275 -0.00572 0.00000 -0.03966 -0.03823 2.68451 D19 3.14147 -0.00002 0.00000 -0.00041 -0.00038 3.14109 D20 0.00077 -0.00006 0.00000 -0.00081 -0.00081 -0.00004 D21 -0.00068 0.00002 0.00000 0.00019 0.00021 -0.00047 D22 -3.14138 -0.00002 0.00000 -0.00021 -0.00022 3.14159 D23 3.14090 0.00001 0.00000 0.00019 0.00018 3.14109 D24 -0.00006 -0.00003 0.00000 -0.00033 -0.00033 -0.00039 D25 -0.00013 -0.00003 0.00000 -0.00042 -0.00041 -0.00054 D26 -3.14109 -0.00007 0.00000 -0.00094 -0.00093 3.14116 D27 -3.14118 0.00024 0.00000 0.00259 0.00263 -3.13855 D28 -0.00049 0.00026 0.00000 0.00295 0.00304 0.00255 D29 3.14121 -0.00004 0.00000 -0.00034 -0.00027 3.14094 D30 -0.00142 0.00015 0.00000 0.00179 0.00177 0.00035 D31 0.00053 -0.00007 0.00000 -0.00071 -0.00069 -0.00016 D32 3.14107 0.00011 0.00000 0.00141 0.00136 -3.14075 D33 -3.14082 0.00106 0.00000 0.01307 0.01344 -3.12738 D34 0.00075 -0.00041 0.00000 -0.00474 -0.00472 -0.00398 D35 -3.14017 0.00016 0.00000 0.00200 0.00203 -3.13814 D36 -0.00100 0.00033 0.00000 0.00414 0.00419 0.00319 D37 0.00139 -0.00131 0.00000 -0.01584 -0.01566 -0.01427 D38 3.14056 -0.00114 0.00000 -0.01370 -0.01350 3.12706 D39 3.14021 0.00002 0.00000 0.00018 0.00024 3.14045 D40 -0.00096 -0.00049 0.00000 -0.00543 -0.00529 -0.00625 D41 0.00104 -0.00013 0.00000 -0.00192 -0.00192 -0.00088 D42 -3.14013 -0.00064 0.00000 -0.00752 -0.00745 3.13561 D43 -0.00079 0.00001 0.00000 0.00019 0.00011 -0.00068 D44 -3.14135 -0.00016 0.00000 -0.00187 -0.00196 3.13988 D45 3.14038 0.00051 0.00000 0.00577 0.00588 -3.13692 D46 -0.00018 0.00035 0.00000 0.00371 0.00381 0.00363 D47 2.15374 -0.00640 0.00000 -0.03796 -0.03886 2.11487 D48 0.00130 -0.00011 0.00000 -0.00151 -0.00153 -0.00024 D49 -2.15029 0.00621 0.00000 0.03532 0.03615 -2.11414 D50 -0.98890 -0.00624 0.00000 -0.03592 -0.03675 -1.02564 D51 -3.14133 0.00004 0.00000 0.00053 0.00058 -3.14075 D52 0.99027 0.00637 0.00000 0.03736 0.03827 1.02853 D53 -0.00000 0.00004 0.00000 0.00053 0.00052 0.00052 D54 -3.14096 -0.00000 0.00000 -0.00000 0.00001 -3.14096 D55 -0.00061 0.00003 0.00000 0.00040 0.00040 -0.00021 D56 -2.13871 -0.00274 0.00000 -0.01034 -0.00979 -2.14850 D57 2.13713 0.00281 0.00000 0.01105 0.01051 2.14764 Item Value Threshold Converged? Maximum Force 0.092566 0.000450 NO RMS Force 0.014505 0.000300 NO Maximum Displacement 0.249029 0.001800 NO RMS Displacement 0.065147 0.001200 NO Predicted change in Energy=-2.821294D-02 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.976935 -4.989585 2.060948 2 6 0 7.222064 -4.832338 3.566880 3 8 0 6.670090 -6.323890 1.738317 4 7 0 2.728341 -1.969226 0.367237 5 6 0 3.800310 -2.707254 0.785132 6 7 0 4.972674 -2.206384 0.701731 7 6 0 6.064129 -2.938034 1.115089 8 8 0 7.185815 -2.499675 1.067785 9 7 0 5.845998 -4.209937 1.618996 10 6 0 4.577775 -4.725605 1.699493 11 6 0 3.524768 -4.016268 1.296293 12 1 0 7.846966 -4.649605 1.517893 13 1 0 8.072130 -5.436525 3.877340 14 1 0 7.429990 -3.792816 3.803266 15 6 0 1.421607 -2.393166 0.404073 16 1 0 2.892567 -1.054827 0.007187 17 1 0 4.475448 -5.714728 2.092247 18 6 0 2.105993 -4.527590 1.356910 19 1 0 6.343426 -5.155837 4.119992 20 1 0 7.410428 -6.868637 1.994528 21 8 0 0.535233 -1.694390 0.022556 22 1 0 1.999294 -5.440816 0.778265 23 8 0 1.148798 -3.610426 0.877105 24 1 0 1.829219 -4.780440 2.376736 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.533834 0.000000 3 O 1.406632 2.423436 0.000000 4 N 5.481038 6.215197 6.031613 0.000000 5 C 4.114327 4.895151 4.714260 1.366910 0.000000 6 N 3.689274 4.490487 4.572701 2.281482 1.277600 7 C 2.436539 3.307639 3.495657 3.553218 2.299349 8 O 2.688802 3.418787 3.916657 4.543262 3.403620 9 N 1.442980 2.464790 2.272039 4.038252 2.671745 10 C 2.440554 3.238949 2.633212 3.576722 2.348244 11 C 3.667356 4.414922 3.926010 2.384916 1.432036 12 H 1.080486 2.149940 2.058362 5.891415 4.548086 13 H 2.167599 1.088136 2.707129 7.273175 5.937938 14 H 2.161756 1.086148 3.353774 6.102236 4.843775 15 C 6.352031 7.042600 6.691590 1.374276 2.429421 16 H 6.031776 6.759109 6.710404 0.996359 2.039537 17 H 2.604659 3.239916 2.304951 4.478486 3.348023 18 C 4.943195 5.581310 4.919669 2.812827 2.551717 19 H 2.160703 1.087470 2.672720 6.107904 4.856365 20 H 1.929550 2.579590 0.954198 6.969523 5.640274 21 O 7.517238 8.192842 7.874806 2.236976 3.502591 22 H 5.160019 5.951802 4.849521 3.571050 3.273541 23 O 6.104977 6.753704 6.212024 2.334193 2.802623 24 H 5.161631 5.522854 5.120922 3.570635 3.273607 6 7 8 9 10 6 N 0.000000 7 C 1.377480 0.000000 8 O 2.262302 1.205229 0.000000 9 N 2.370295 1.385366 2.241414 0.000000 10 C 2.738239 2.397120 3.486502 1.371417 0.000000 11 C 2.392827 2.764739 3.969325 2.351544 1.332124 12 H 3.859664 2.504043 2.293887 2.051195 3.275113 13 H 5.488619 4.231377 4.159836 3.400043 4.178389 14 H 4.263179 3.134091 3.035571 2.730212 3.664844 15 C 3.568412 4.728154 5.803271 4.934768 4.132770 16 H 2.476958 3.851328 4.652358 4.612527 4.379320 17 H 3.806475 3.344962 4.328069 2.089682 1.069154 18 C 3.746347 4.272236 5.477282 3.762609 2.503254 19 H 4.718341 3.745143 4.132890 2.719768 3.026786 20 H 5.417617 4.246831 4.471816 3.107596 3.564205 21 O 4.518218 5.771392 6.780209 6.089403 5.323770 22 H 4.394132 4.785421 5.969433 4.125412 2.829974 23 O 4.077268 4.966812 6.141311 4.793068 3.698355 24 H 4.394623 4.787554 5.967274 4.127246 2.831294 11 12 13 14 15 11 C 0.000000 12 H 4.373971 0.000000 13 H 5.418250 2.497385 0.000000 14 H 4.646031 2.476064 1.766242 0.000000 15 C 2.802464 6.900533 8.096609 7.043735 0.000000 16 H 3.291141 6.304818 7.810585 6.518820 2.027903 17 H 2.102879 3.582109 4.024932 3.917991 4.817536 18 C 1.509319 5.744525 6.540146 5.905039 2.435580 19 H 4.149304 3.047593 1.768074 1.771655 6.757567 20 H 4.870513 2.311244 2.456375 3.568276 7.643649 21 O 3.993850 8.026878 9.255687 8.138478 1.191428 22 H 2.150525 5.947128 6.817890 6.431096 3.124407 23 O 2.446560 6.808521 7.763283 6.931742 1.334131 24 H 2.150860 6.080132 6.454161 5.863362 3.123560 16 17 18 19 20 16 H 0.000000 17 H 5.344873 0.000000 18 C 3.807956 2.750333 0.000000 19 H 6.755877 2.813086 5.097563 0.000000 20 H 7.626335 3.155180 5.833017 2.930832 0.000000 21 O 2.442601 5.997669 3.503542 7.906054 8.827786 22 H 4.541960 2.816543 1.086369 5.488154 5.726983 23 O 3.213809 4.119619 1.409832 6.315755 7.146508 24 H 4.541549 2.820701 1.086546 4.853650 5.971310 21 22 23 24 21 O 0.000000 22 H 4.092711 0.000000 23 O 2.185843 2.020753 0.000000 24 H 4.091487 1.737853 2.020099 0.000000 Stoichiometry C8H9N3O4 Framework group C1[X(C8H9N3O4)] Deg. of freedom 66 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 3.008539 -0.235605 -0.160829 2 6 0 3.593446 -0.414873 1.245725 3 8 0 3.123322 -1.421953 -0.907834 4 7 0 -2.332642 0.984163 -0.000411 5 6 0 -0.996278 0.699642 -0.040662 6 7 0 -0.155742 1.660170 -0.096757 7 6 0 1.194405 1.390824 -0.141553 8 8 0 2.022392 2.265751 -0.180511 9 7 0 1.597997 0.065742 -0.118967 10 6 0 0.676620 -0.948198 -0.057533 11 6 0 -0.628444 -0.684147 -0.017076 12 1 0 3.508509 0.584307 -0.656029 13 1 0 4.654086 -0.650883 1.187580 14 1 0 3.472106 0.500066 1.818333 15 6 0 -3.333467 0.044324 0.060302 16 1 0 -2.615575 1.939385 -0.015653 17 1 0 1.050645 -1.949755 -0.048629 18 6 0 -1.690983 -1.754055 0.048890 19 1 0 3.082727 -1.227198 1.757472 20 1 0 4.049723 -1.639439 -0.978356 21 8 0 -4.480318 0.365485 0.093320 22 1 0 -1.620991 -2.421391 -0.805489 23 8 0 -3.006822 -1.249012 0.082456 24 1 0 -1.560148 -2.375262 0.930686 --------------------------------------------------------------------- Rotational constants (GHZ): 1.4551309 0.3612388 0.3048408 Standard basis: 6-31G(d) (6D, 7F) There are 243 symmetry adapted cartesian basis functions of A symmetry. There are 243 symmetry adapted basis functions of A symmetry. 243 basis functions, 456 primitive gaussians, 243 cartesian basis functions 55 alpha electrons 55 beta electrons nuclear repulsion energy 1024.2491443028 Hartrees. NAtoms= 24 NActive= 24 NUniq= 24 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. One-electron integrals computed using PRISM. NBasis= 243 RedAO= T EigKep= 8.40D-04 NBF= 243 NBsUse= 243 1.00D-06 EigRej= -1.00D+00 NBFU= 243 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 -0.000000 -0.000000 Rot= 0.999981 0.001122 -0.002537 0.005480 Ang= 0.70 deg. ExpMin= 1.61D-01 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn= 5 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 5 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 5 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -771.018033822 A.U. after 13 cycles NFock= 13 Conv=0.75D-08 -V/T= 2.0018 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 0.010977456 -0.010469257 0.011113836 2 6 -0.003031044 0.001718554 -0.005140581 3 8 0.009593025 -0.000109885 0.003310169 4 7 0.002887191 -0.012839096 0.005817540 5 6 0.002414244 -0.004370056 0.001545209 6 7 0.004667805 -0.000428310 -0.000442896 7 6 0.013729773 0.020557374 -0.004592592 8 8 -0.011005906 -0.005952839 0.001493021 9 7 -0.022139003 -0.007599091 -0.001755630 10 6 0.012732384 0.007200811 -0.000413702 11 6 -0.012994999 0.001796123 -0.001534877 12 1 -0.004681432 0.000288577 -0.001532198 13 1 -0.001223531 0.001304697 -0.000434391 14 1 0.000210593 -0.002412904 -0.000337972 15 6 -0.025684085 0.009127822 -0.006491527 16 1 -0.000799354 0.001153846 -0.000644341 17 1 0.003936478 -0.001653354 0.000422677 18 6 0.004816842 -0.011276373 0.005014878 19 1 0.002066394 0.000249977 0.000092782 20 1 -0.006601480 0.002299072 -0.002909526 21 8 0.013003532 -0.007971065 0.004670865 22 1 -0.001107745 0.004454929 -0.001600577 23 8 0.009278143 0.010786489 -0.003437239 24 1 -0.001045282 0.004143959 -0.002212930 ------------------------------------------------------------------- Cartesian Forces: Max 0.025684085 RMS 0.007522700 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.015844841 RMS 0.003624194 Search for a local minimum. Step number 2 out of a maximum of 134 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Update second derivatives using D2CorX and points 1 2 DE= -2.72D-02 DEPred=-2.82D-02 R= 9.63D-01 TightC=F SS= 1.41D+00 RLast= 3.29D-01 DXNew= 5.0454D-01 9.8780D-01 Trust test= 9.63D-01 RLast= 3.29D-01 DXMaxT set to 5.05D-01 ITU= 1 0 Use linear search instead of GDIIS. Eigenvalues --- 0.00265 0.01128 0.01278 0.01341 0.01609 Eigenvalues --- 0.01618 0.01745 0.01781 0.01828 0.01845 Eigenvalues --- 0.01902 0.01931 0.02132 0.02524 0.02642 Eigenvalues --- 0.05095 0.05218 0.05480 0.05610 0.05637 Eigenvalues --- 0.07491 0.08388 0.12304 0.12562 0.15792 Eigenvalues --- 0.16000 0.16000 0.16000 0.16000 0.16175 Eigenvalues --- 0.18103 0.20185 0.22721 0.23189 0.23767 Eigenvalues --- 0.24511 0.24997 0.25000 0.25000 0.25000 Eigenvalues --- 0.25616 0.28717 0.32217 0.33709 0.33765 Eigenvalues --- 0.33787 0.33811 0.33817 0.33946 0.35597 Eigenvalues --- 0.38377 0.40209 0.41610 0.42041 0.44481 Eigenvalues --- 0.45110 0.45743 0.46568 0.48160 0.48901 Eigenvalues --- 0.49621 0.51283 0.58277 0.72551 0.88077 Eigenvalues --- 0.88922 RFO step: Lambda=-3.59238850D-03 EMin= 2.65083393D-03 Quartic linear search produced a step of 0.23538. Iteration 1 RMS(Cart)= 0.03599618 RMS(Int)= 0.00060478 Iteration 2 RMS(Cart)= 0.00082894 RMS(Int)= 0.00017036 Iteration 3 RMS(Cart)= 0.00000025 RMS(Int)= 0.00017036 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.89853 -0.00594 -0.00179 -0.02317 -0.02497 2.87356 R2 2.65815 -0.00282 -0.00885 0.00106 -0.00779 2.65036 R3 2.72684 0.01086 0.00522 0.02702 0.03224 2.75907 R4 2.04182 -0.00291 -0.00810 -0.00152 -0.00962 2.03220 R5 2.05628 -0.00180 -0.00475 -0.00125 -0.00600 2.05028 R6 2.05252 -0.00234 -0.00588 -0.00195 -0.00783 2.04469 R7 2.05502 -0.00170 -0.00552 -0.00002 -0.00554 2.04948 R8 1.80317 -0.00722 -0.01534 -0.00207 -0.01741 1.78577 R9 2.58308 -0.00219 -0.00523 -0.00078 -0.00597 2.57712 R10 2.59701 -0.00012 -0.00918 0.00816 -0.00095 2.59606 R11 1.88285 0.00116 0.00140 0.00147 0.00287 1.88571 R12 2.41431 0.00368 0.00200 0.00425 0.00632 2.42064 R13 2.70616 -0.00277 -0.00865 0.00107 -0.00756 2.69860 R14 2.60306 -0.00549 -0.00868 -0.00556 -0.01422 2.58884 R15 2.27755 -0.01247 -0.01386 -0.00423 -0.01809 2.25947 R16 2.61796 0.01006 -0.00280 0.02889 0.02602 2.64398 R17 2.59160 -0.01062 -0.00745 -0.01987 -0.02740 2.56420 R18 2.51735 0.00601 0.00183 0.01047 0.01229 2.52964 R19 2.02041 0.00131 0.00358 0.00031 0.00389 2.02430 R20 2.85220 -0.00217 0.00547 -0.01275 -0.00735 2.84485 R21 2.25147 -0.01584 -0.01973 -0.00332 -0.02305 2.22842 R22 2.52114 -0.00884 -0.01700 -0.00437 -0.02132 2.49982 R23 2.05294 -0.00278 -0.00554 -0.00392 -0.00945 2.04349 R24 2.66420 0.00380 -0.00175 0.01329 0.01152 2.67571 R25 2.05327 -0.00278 -0.00548 -0.00395 -0.00943 2.04384 A1 1.93617 0.00071 0.01103 0.00172 0.01279 1.94896 A2 1.95042 -0.00067 0.01278 -0.01626 -0.00355 1.94686 A3 1.90977 0.00180 0.00284 0.00563 0.00831 1.91808 A4 1.84555 0.00140 -0.01770 0.04111 0.02297 1.86852 A5 1.93783 -0.00082 -0.00007 -0.00469 -0.00536 1.93247 A6 1.88299 -0.00257 -0.00893 -0.02786 -0.03709 1.84590 A7 1.92629 -0.00028 0.00413 -0.01039 -0.00628 1.92001 A8 1.92026 0.00012 0.00251 -0.00274 -0.00030 1.91996 A9 1.91745 0.00168 0.00177 0.01286 0.01459 1.93204 A10 1.89628 -0.00046 -0.00398 -0.00307 -0.00710 1.88918 A11 1.89748 -0.00070 -0.00317 -0.00049 -0.00365 1.89383 A12 1.90571 -0.00039 -0.00134 0.00381 0.00239 1.90810 A13 1.88673 0.00411 -0.00532 0.03851 0.03319 1.91992 A14 2.17844 0.00754 0.01818 0.01536 0.03365 2.21209 A15 2.06772 -0.00281 -0.00522 -0.00587 -0.01115 2.05658 A16 2.03702 -0.00473 -0.01296 -0.00949 -0.02250 2.01452 A17 2.08059 -0.00335 -0.00249 -0.01335 -0.01587 2.06472 A18 2.03955 -0.00207 -0.01069 0.00165 -0.00908 2.03047 A19 2.16304 0.00542 0.01318 0.01171 0.02494 2.18798 A20 2.09355 -0.00108 -0.00290 -0.00106 -0.00395 2.08960 A21 2.13231 0.00401 0.00873 0.00939 0.01800 2.15031 A22 2.06240 -0.00390 -0.00636 -0.01150 -0.01818 2.04422 A23 2.08833 -0.00011 -0.00241 0.00272 0.00020 2.08853 A24 2.07608 -0.00383 -0.00601 -0.01099 -0.01694 2.05913 A25 2.09860 0.00041 0.00010 0.00229 0.00244 2.10104 A26 2.10851 0.00342 0.00591 0.00870 0.01431 2.12282 A27 2.10948 0.00177 0.00516 0.00278 0.00773 2.11721 A28 2.04647 -0.00497 -0.01233 -0.01857 -0.03085 2.01561 A29 2.12723 0.00319 0.00717 0.01572 0.02293 2.15016 A30 2.02938 -0.00563 -0.01498 -0.01052 -0.02550 2.00389 A31 2.10004 -0.00130 -0.00068 -0.00283 -0.00363 2.09641 A32 2.15376 0.00693 0.01567 0.01333 0.02906 2.18282 A33 2.11517 0.00234 0.00846 0.00232 0.01073 2.12590 A34 2.07761 -0.00883 -0.01099 -0.03196 -0.04284 2.03478 A35 2.09040 0.00649 0.00253 0.02964 0.03211 2.12251 A36 1.93448 0.00147 0.00918 -0.00151 0.00731 1.94179 A37 1.98685 -0.00161 -0.00159 -0.00747 -0.00916 1.97769 A38 1.93476 0.00146 0.00920 -0.00141 0.00741 1.94217 A39 1.87435 -0.00166 -0.01119 -0.00649 -0.01772 1.85663 A40 1.85386 0.00205 0.00597 0.02455 0.02971 1.88357 A41 1.87326 -0.00163 -0.01127 -0.00564 -0.01682 1.85644 A42 2.18388 0.00626 0.00578 0.02525 0.03105 2.21493 D1 1.07675 -0.00009 0.00575 -0.00555 0.00012 1.07687 D2 -3.11397 -0.00077 0.00499 -0.01769 -0.01278 -3.12675 D3 -1.01542 -0.00012 0.00599 -0.00658 -0.00063 -1.01605 D4 3.13160 0.00169 -0.00145 0.03667 0.03532 -3.11626 D5 -1.05911 0.00102 -0.00221 0.02453 0.02242 -1.03669 D6 1.03944 0.00167 -0.00121 0.03564 0.03457 1.07400 D7 -1.06719 -0.00076 -0.00289 -0.00462 -0.00757 -1.07476 D8 1.02528 -0.00144 -0.00365 -0.01677 -0.02047 1.00481 D9 3.12383 -0.00078 -0.00264 -0.00566 -0.00832 3.11551 D10 -1.05210 -0.00073 -0.00078 -0.00370 -0.00449 -1.05659 D11 3.11338 -0.00118 -0.01204 -0.01047 -0.02242 3.09096 D12 1.07553 0.00149 0.00998 0.00142 0.01132 1.08684 D13 1.64279 -0.00111 -0.00279 -0.05536 -0.05793 1.58486 D14 -1.49855 -0.00082 -0.00331 -0.03424 -0.03743 -1.53597 D15 -2.53193 0.00026 0.00728 -0.03646 -0.02945 -2.56138 D16 0.60993 0.00055 0.00676 -0.01535 -0.00895 0.60098 D17 -0.45734 -0.00124 -0.00848 -0.03430 -0.04260 -0.49994 D18 2.68451 -0.00096 -0.00900 -0.01318 -0.02209 2.66242 D19 3.14109 0.00007 -0.00009 0.00472 0.00463 -3.13747 D20 -0.00004 -0.00005 -0.00019 -0.00115 -0.00124 -0.00129 D21 -0.00047 0.00010 0.00005 0.00480 0.00480 0.00433 D22 3.14159 -0.00003 -0.00005 -0.00107 -0.00107 3.14052 D23 3.14109 0.00000 0.00004 -0.00061 -0.00061 3.14048 D24 -0.00039 -0.00002 -0.00008 -0.00095 -0.00108 -0.00147 D25 -0.00054 -0.00002 -0.00010 -0.00068 -0.00078 -0.00132 D26 3.14116 -0.00004 -0.00022 -0.00103 -0.00125 3.13991 D27 -3.13855 -0.00018 0.00062 -0.01105 -0.01074 3.13390 D28 0.00255 -0.00005 0.00072 -0.00474 -0.00430 -0.00175 D29 3.14094 -0.00009 -0.00006 -0.00736 -0.00727 3.13367 D30 0.00035 0.00011 0.00042 0.00383 0.00419 0.00453 D31 -0.00016 -0.00022 -0.00016 -0.01353 -0.01360 -0.01376 D32 -3.14075 -0.00001 0.00032 -0.00234 -0.00214 3.14029 D33 -3.12738 0.00022 0.00316 -0.00540 -0.00251 -3.12988 D34 -0.00398 0.00052 -0.00111 0.03375 0.03239 0.02841 D35 -3.13814 -0.00042 0.00048 -0.02419 -0.02359 3.12145 D36 0.00319 -0.00071 0.00099 -0.04543 -0.04436 -0.04118 D37 -0.01427 -0.00009 -0.00369 0.01402 0.01022 -0.00405 D38 3.12706 -0.00037 -0.00318 -0.00722 -0.01056 3.11650 D39 3.14045 0.00016 0.00006 0.00624 0.00609 -3.13665 D40 -0.00625 -0.00028 -0.00124 -0.00881 -0.00999 -0.01624 D41 -0.00088 0.00045 -0.00045 0.02776 0.02736 0.02648 D42 3.13561 0.00001 -0.00175 0.01271 0.01128 -3.13629 D43 -0.00068 0.00001 0.00003 0.00155 0.00151 0.00083 D44 3.13988 -0.00020 -0.00046 -0.01003 -0.01062 3.12926 D45 -3.13692 0.00050 0.00138 0.01741 0.01901 -3.11791 D46 0.00363 0.00028 0.00090 0.00583 0.00688 0.01052 D47 2.11487 -0.00232 -0.00915 -0.01924 -0.02876 2.08611 D48 -0.00024 -0.00011 -0.00036 -0.00432 -0.00467 -0.00491 D49 -2.11414 0.00208 0.00851 0.00941 0.01817 -2.09597 D50 -1.02564 -0.00210 -0.00865 -0.00720 -0.01603 -1.04167 D51 -3.14075 0.00012 0.00014 0.00771 0.00806 -3.13269 D52 1.02853 0.00230 0.00901 0.02144 0.03091 1.05944 D53 0.00052 0.00002 0.00012 0.00023 0.00033 0.00085 D54 -3.14096 0.00000 0.00000 -0.00011 -0.00014 -3.14110 D55 -0.00021 0.00004 0.00009 0.00229 0.00242 0.00221 D56 -2.14850 0.00044 -0.00230 0.01391 0.01172 -2.13678 D57 2.14764 -0.00035 0.00247 -0.00856 -0.00609 2.14156 Item Value Threshold Converged? Maximum Force 0.015845 0.000450 NO RMS Force 0.003624 0.000300 NO Maximum Displacement 0.113046 0.001800 NO RMS Displacement 0.035965 0.001200 NO Predicted change in Energy=-3.117593D-03 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.972308 -5.007991 2.068684 2 6 0 7.248096 -4.815803 3.551687 3 8 0 6.695593 -6.348498 1.762896 4 7 0 2.732328 -1.995095 0.376944 5 6 0 3.796570 -2.733493 0.803536 6 7 0 4.965256 -2.214643 0.727435 7 6 0 6.054001 -2.927089 1.156198 8 8 0 7.170128 -2.499464 1.124661 9 7 0 5.821970 -4.222584 1.630999 10 6 0 4.569029 -4.737309 1.711148 11 6 0 3.501861 -4.035778 1.309986 12 1 0 7.806596 -4.650522 1.491923 13 1 0 8.121354 -5.389353 3.844263 14 1 0 7.443115 -3.772048 3.759711 15 6 0 1.412366 -2.375763 0.383731 16 1 0 2.912750 -1.081063 0.019521 17 1 0 4.504542 -5.735940 2.093346 18 6 0 2.079642 -4.527985 1.346541 19 1 0 6.403247 -5.148252 4.144923 20 1 0 7.435366 -6.891094 1.989443 21 8 0 0.557997 -1.663087 -0.007078 22 1 0 1.958035 -5.420145 0.747694 23 8 0 1.147243 -3.584520 0.851212 24 1 0 1.770608 -4.760478 2.356595 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.520622 0.000000 3 O 1.402511 2.419543 0.000000 4 N 5.469639 6.198995 6.048177 0.000000 5 C 4.106002 4.878666 4.732120 1.363753 0.000000 6 N 3.691883 4.466967 4.599457 2.270905 1.280946 7 C 2.450729 3.275892 3.533520 3.536857 2.292999 8 O 2.687568 3.355884 3.930342 4.528524 3.396878 9 N 1.460038 2.464708 2.302200 4.010018 2.646570 10 C 2.444760 3.251330 2.668498 3.559958 2.331465 11 C 3.683045 4.434855 3.969096 2.372158 1.428037 12 H 1.075395 2.140530 2.047163 5.834609 4.497687 13 H 2.149052 1.084961 2.699046 7.251543 5.916365 14 H 2.146808 1.082003 3.344272 6.065655 4.807791 15 C 6.378138 7.074284 6.752570 1.373774 2.447169 16 H 6.008315 6.724560 6.715291 0.997877 2.031340 17 H 2.573010 3.240447 2.298940 4.481149 3.343579 18 C 4.968911 5.626582 4.979420 2.789561 2.542223 19 H 2.157375 1.084537 2.683302 6.133164 4.877570 20 H 1.940819 2.604325 0.944986 6.977787 5.650916 21 O 7.525992 8.207426 7.921866 2.232805 3.505883 22 H 5.201713 6.017670 4.933247 3.530999 3.255983 23 O 6.118814 6.784470 6.265375 2.294275 2.783066 24 H 5.215538 5.606619 5.208624 3.534298 3.259629 6 7 8 9 10 6 N 0.000000 7 C 1.369957 0.000000 8 O 2.258400 1.195658 0.000000 9 N 2.362671 1.399136 2.245674 0.000000 10 C 2.736518 2.406244 3.481039 1.356918 0.000000 11 C 2.407784 2.786801 3.981304 2.349648 1.338627 12 H 3.819839 2.480832 2.273109 2.034998 3.246142 13 H 5.454756 4.190750 4.080750 3.398096 4.194563 14 H 4.214260 3.069506 2.938958 2.713394 3.659059 15 C 3.573111 4.737662 5.806557 4.940752 4.159743 16 H 2.449271 3.816714 4.621522 4.574886 4.355801 17 H 3.804932 3.341963 4.303310 2.059035 1.071213 18 C 3.749882 4.288896 5.484266 3.765528 2.524639 19 H 4.727907 3.740055 4.089763 2.741269 3.075141 20 H 5.437215 4.279697 4.483817 3.138865 3.596127 21 O 4.501961 5.758209 6.760224 6.078135 5.337745 22 H 4.395342 4.812394 5.986518 4.140576 2.865623 23 O 4.058215 4.959990 6.125950 4.782077 3.711742 24 H 4.397865 4.811416 5.982028 4.150825 2.871985 11 12 13 14 15 11 C 0.000000 12 H 4.352213 0.000000 13 H 5.440077 2.485648 0.000000 14 H 4.648030 2.459003 1.755800 0.000000 15 C 2.824817 6.876686 8.128194 7.051013 0.000000 16 H 3.277605 6.233678 7.766568 6.461782 2.014957 17 H 2.123576 3.527521 4.033257 3.907538 4.875975 18 C 1.505428 5.730110 6.594153 5.929727 2.450372 19 H 4.206246 3.042290 1.760800 1.767386 6.836824 20 H 4.907846 2.324973 2.483176 3.586413 7.696951 21 O 4.003830 7.982103 9.269426 8.126577 1.179230 22 H 2.148498 5.945743 6.897550 6.471056 3.114240 23 O 2.440970 6.774501 7.800898 6.937761 1.322846 24 H 2.148911 6.098599 6.552909 5.926471 3.115670 16 17 18 19 20 16 H 0.000000 17 H 5.338767 0.000000 18 C 3.786334 2.810163 0.000000 19 H 6.763471 2.856470 5.187411 0.000000 20 H 7.621753 3.151968 5.889091 2.957847 0.000000 21 O 2.425762 6.047738 3.515015 7.971978 8.866587 22 H 4.502150 2.897448 1.081368 5.601338 5.805754 23 O 3.174275 4.176478 1.415926 6.396824 7.195102 24 H 4.506051 2.914657 1.081556 4.980946 6.063317 21 22 23 24 21 O 0.000000 22 H 4.079862 0.000000 23 O 2.185355 2.009383 0.000000 24 H 4.080589 1.748958 2.009388 0.000000 Stoichiometry C8H9N3O4 Framework group C1[X(C8H9N3O4)] Deg. of freedom 66 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 3.013032 -0.243915 -0.170504 2 6 0 3.611017 -0.347474 1.223763 3 8 0 3.163323 -1.439288 -0.888511 4 7 0 -2.320838 0.957351 -0.016424 5 6 0 -0.987901 0.670698 -0.046929 6 7 0 -0.158482 1.644911 -0.108555 7 6 0 1.187485 1.390689 -0.131506 8 8 0 2.015788 2.251778 -0.176626 9 7 0 1.583516 0.048817 -0.120477 10 6 0 0.678922 -0.959454 -0.040930 11 6 0 -0.636085 -0.712517 0.000323 12 1 0 3.461023 0.577397 -0.700810 13 1 0 4.676734 -0.539742 1.157278 14 1 0 3.467278 0.582294 1.758180 15 6 0 -3.354173 0.054798 0.053381 16 1 0 -2.591798 1.917236 -0.047408 17 1 0 1.090410 -1.948462 -0.034756 18 6 0 -1.711571 -1.763384 0.073252 19 1 0 3.149319 -1.156121 1.779771 20 1 0 4.080512 -1.645470 -0.984695 21 8 0 -4.481228 0.400946 0.076032 22 1 0 -1.668549 -2.428149 -0.778565 23 8 0 -3.020883 -1.224743 0.093574 24 1 0 -1.614664 -2.362714 0.968337 --------------------------------------------------------------------- Rotational constants (GHZ): 1.4707239 0.3593686 0.3037122 Standard basis: 6-31G(d) (6D, 7F) There are 243 symmetry adapted cartesian basis functions of A symmetry. There are 243 symmetry adapted basis functions of A symmetry. 243 basis functions, 456 primitive gaussians, 243 cartesian basis functions 55 alpha electrons 55 beta electrons nuclear repulsion energy 1024.8443417289 Hartrees. NAtoms= 24 NActive= 24 NUniq= 24 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. One-electron integrals computed using PRISM. NBasis= 243 RedAO= T EigKep= 8.38D-04 NBF= 243 NBsUse= 243 1.00D-06 EigRej= -1.00D+00 NBFU= 243 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 0.000000 0.000000 Rot= 0.999981 0.006121 0.000053 -0.000225 Ang= 0.70 deg. ExpMin= 1.61D-01 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn= 5 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 5 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 5 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -771.020741313 A.U. after 13 cycles NFock= 13 Conv=0.46D-08 -V/T= 2.0016 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 0.005964847 -0.002809419 0.002237359 2 6 -0.000678421 0.000591127 -0.000798687 3 8 -0.006856456 0.005228114 -0.001244357 4 7 0.002611959 0.003462895 -0.001524733 5 6 -0.003509486 -0.001365259 0.001471408 6 7 0.002445800 -0.000080424 0.001195584 7 6 -0.001878564 0.003501668 -0.006451165 8 8 0.002908164 0.000594304 0.002700236 9 7 -0.005273264 -0.006513826 0.001405460 10 6 0.004219516 0.000224795 -0.000568381 11 6 -0.001598846 0.001345457 -0.000453566 12 1 0.000642073 0.000050618 -0.001170059 13 1 0.000594868 -0.000299744 0.000594641 14 1 0.000240844 0.000429832 0.000301382 15 6 0.003790390 -0.005107796 0.002257149 16 1 0.000850587 -0.000137060 0.000151833 17 1 -0.000089097 -0.000528667 0.000096140 18 6 0.002498556 -0.001979290 0.001054750 19 1 -0.000250636 -0.000277105 0.000261241 20 1 0.002805162 -0.000189011 0.000917604 21 8 -0.004896856 0.003592866 -0.001956998 22 1 -0.000653999 0.000237986 -0.000550347 23 8 -0.003061388 -0.000526589 0.000071499 24 1 -0.000825755 0.000554529 0.000002009 ------------------------------------------------------------------- Cartesian Forces: Max 0.006856456 RMS 0.002530638 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.006367781 RMS 0.001290507 Search for a local minimum. Step number 3 out of a maximum of 134 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Update second derivatives using D2CorX and points 1 2 3 DE= -2.71D-03 DEPred=-3.12D-03 R= 8.68D-01 TightC=F SS= 1.41D+00 RLast= 2.07D-01 DXNew= 8.4853D-01 6.2020D-01 Trust test= 8.68D-01 RLast= 2.07D-01 DXMaxT set to 6.20D-01 ITU= 1 1 0 Use linear search instead of GDIIS. Eigenvalues --- 0.00265 0.01131 0.01242 0.01341 0.01610 Eigenvalues --- 0.01614 0.01744 0.01776 0.01838 0.01854 Eigenvalues --- 0.01909 0.01941 0.02146 0.02545 0.02651 Eigenvalues --- 0.05142 0.05317 0.05481 0.05550 0.05670 Eigenvalues --- 0.07361 0.08331 0.12229 0.12507 0.15764 Eigenvalues --- 0.16000 0.16000 0.16000 0.16109 0.16287 Eigenvalues --- 0.18228 0.20401 0.22896 0.23253 0.23803 Eigenvalues --- 0.24509 0.24991 0.24998 0.25000 0.25296 Eigenvalues --- 0.25929 0.28844 0.32308 0.33709 0.33710 Eigenvalues --- 0.33766 0.33811 0.33818 0.34066 0.35534 Eigenvalues --- 0.38226 0.39163 0.41743 0.42195 0.44409 Eigenvalues --- 0.44990 0.45252 0.46427 0.48186 0.48902 Eigenvalues --- 0.49601 0.52455 0.58119 0.72279 0.88388 Eigenvalues --- 0.95070 RFO step: Lambda=-1.22012929D-03 EMin= 2.65132437D-03 Quartic linear search produced a step of -0.06739. Iteration 1 RMS(Cart)= 0.03311970 RMS(Int)= 0.00076323 Iteration 2 RMS(Cart)= 0.00078180 RMS(Int)= 0.00028846 Iteration 3 RMS(Cart)= 0.00000060 RMS(Int)= 0.00028846 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87356 0.00039 0.00168 -0.00452 -0.00284 2.87072 R2 2.65036 -0.00395 0.00052 -0.01072 -0.01019 2.64017 R3 2.75907 0.00080 -0.00217 0.00932 0.00715 2.76622 R4 2.03220 0.00114 0.00065 0.00094 0.00159 2.03379 R5 2.05028 0.00080 0.00040 0.00082 0.00123 2.05151 R6 2.04469 0.00052 0.00053 -0.00038 0.00015 2.04484 R7 2.04948 0.00042 0.00037 -0.00010 0.00027 2.04975 R8 1.78577 0.00252 0.00117 0.00076 0.00193 1.78770 R9 2.57712 0.00004 0.00040 -0.00131 -0.00090 2.57622 R10 2.59606 0.00325 0.00006 0.00649 0.00657 2.60262 R11 1.88571 -0.00003 -0.00019 0.00061 0.00042 1.88613 R12 2.42064 0.00283 -0.00043 0.00509 0.00463 2.42527 R13 2.69860 0.00029 0.00051 -0.00110 -0.00080 2.69780 R14 2.58884 -0.00093 0.00096 -0.00511 -0.00397 2.58487 R15 2.25947 0.00286 0.00122 -0.00111 0.00011 2.25957 R16 2.64398 0.00365 -0.00175 0.01324 0.01169 2.65568 R17 2.56420 -0.00213 0.00185 -0.01069 -0.00882 2.55538 R18 2.52964 0.00227 -0.00083 0.00635 0.00533 2.53497 R19 2.02430 0.00053 -0.00026 0.00220 0.00194 2.02624 R20 2.84485 0.00071 0.00050 0.00012 0.00061 2.84546 R21 2.22842 0.00637 0.00155 0.00147 0.00302 2.23145 R22 2.49982 0.00134 0.00144 -0.00227 -0.00083 2.49899 R23 2.04349 0.00018 0.00064 -0.00168 -0.00105 2.04244 R24 2.67571 0.00141 -0.00078 0.00575 0.00497 2.68068 R25 2.04384 0.00012 0.00064 -0.00185 -0.00122 2.04263 A1 1.94896 0.00191 -0.00086 0.00790 0.00688 1.95584 A2 1.94686 0.00154 0.00024 0.00053 0.00076 1.94763 A3 1.91808 -0.00053 -0.00056 0.01186 0.01122 1.92930 A4 1.86852 -0.00439 -0.00155 -0.02832 -0.02985 1.83867 A5 1.93247 0.00068 0.00036 0.00832 0.00851 1.94098 A6 1.84590 0.00067 0.00250 -0.00163 0.00086 1.84676 A7 1.92001 0.00050 0.00042 0.00134 0.00176 1.92177 A8 1.91996 0.00026 0.00002 0.00177 0.00179 1.92174 A9 1.93204 -0.00011 -0.00098 0.00263 0.00165 1.93368 A10 1.88918 -0.00036 0.00048 -0.00351 -0.00303 1.88615 A11 1.89383 -0.00027 0.00025 -0.00299 -0.00274 1.89108 A12 1.90810 -0.00005 -0.00016 0.00056 0.00040 1.90850 A13 1.91992 -0.00273 -0.00224 -0.00826 -0.01050 1.90942 A14 2.21209 -0.00168 -0.00227 0.00129 -0.00098 2.21111 A15 2.05658 0.00002 0.00075 -0.00413 -0.00337 2.05320 A16 2.01452 0.00166 0.00152 0.00283 0.00435 2.01887 A17 2.06472 -0.00068 0.00107 -0.00642 -0.00535 2.05938 A18 2.03047 0.00093 0.00061 0.00113 0.00173 2.03219 A19 2.18798 -0.00025 -0.00168 0.00533 0.00363 2.19161 A20 2.08960 0.00051 0.00027 0.00156 0.00237 2.09196 A21 2.15031 0.00211 -0.00121 0.01259 0.00939 2.15970 A22 2.04422 -0.00077 0.00122 -0.00676 -0.00658 2.03765 A23 2.08853 -0.00130 -0.00001 -0.00432 -0.00624 2.08229 A24 2.05913 -0.00041 0.00114 -0.00524 -0.00430 2.05483 A25 2.10104 -0.00005 -0.00016 0.00058 0.00021 2.10125 A26 2.12282 0.00046 -0.00096 0.00454 0.00399 2.12681 A27 2.11721 0.00052 -0.00052 0.00355 0.00305 2.12026 A28 2.01561 -0.00020 0.00208 -0.00768 -0.00561 2.01000 A29 2.15016 -0.00032 -0.00155 0.00417 0.00262 2.15278 A30 2.00389 -0.00044 0.00172 -0.00741 -0.00589 1.99800 A31 2.09641 0.00050 0.00024 0.00073 0.00106 2.09746 A32 2.18282 -0.00006 -0.00196 0.00668 0.00485 2.18767 A33 2.12590 -0.00013 -0.00072 0.00155 0.00083 2.12673 A34 2.03478 0.00117 0.00289 -0.00468 -0.00181 2.03297 A35 2.12251 -0.00104 -0.00216 0.00313 0.00097 2.12348 A36 1.94179 0.00052 -0.00049 0.00619 0.00568 1.94747 A37 1.97769 0.00013 0.00062 -0.00272 -0.00213 1.97556 A38 1.94217 0.00059 -0.00050 0.00669 0.00617 1.94834 A39 1.85663 -0.00070 0.00119 -0.01036 -0.00915 1.84748 A40 1.88357 0.00013 -0.00200 0.01051 0.00843 1.89200 A41 1.85644 -0.00075 0.00113 -0.01099 -0.00985 1.84660 A42 2.21493 -0.00105 -0.00209 0.00426 0.00214 2.21707 D1 1.07687 0.00165 -0.00001 0.02170 0.02174 1.09860 D2 -3.12675 0.00169 0.00086 0.01930 0.02021 -3.10654 D3 -1.01605 0.00173 0.00004 0.02288 0.02297 -0.99309 D4 -3.11626 -0.00159 -0.00238 -0.00863 -0.01104 -3.12730 D5 -1.03669 -0.00155 -0.00151 -0.01103 -0.01257 -1.04926 D6 1.07400 -0.00151 -0.00233 -0.00745 -0.00981 1.06419 D7 -1.07476 -0.00016 0.00051 -0.00288 -0.00239 -1.07715 D8 1.00481 -0.00013 0.00138 -0.00528 -0.00392 1.00090 D9 3.11551 -0.00008 0.00056 -0.00170 -0.00116 3.11435 D10 -1.05659 -0.00044 0.00030 -0.02157 -0.02130 -1.07789 D11 3.09096 -0.00060 0.00151 -0.00826 -0.00678 3.08417 D12 1.08684 0.00071 -0.00076 0.00523 0.00453 1.09137 D13 1.58486 -0.00051 0.00390 -0.04160 -0.03774 1.54712 D14 -1.53597 -0.00048 0.00252 -0.03548 -0.03305 -1.56903 D15 -2.56138 -0.00011 0.00198 -0.05027 -0.04823 -2.60961 D16 0.60098 -0.00008 0.00060 -0.04415 -0.04355 0.55743 D17 -0.49994 -0.00112 0.00287 -0.05520 -0.05225 -0.55219 D18 2.66242 -0.00109 0.00149 -0.04908 -0.04757 2.61485 D19 -3.13747 -0.00010 -0.00031 -0.00462 -0.00487 3.14084 D20 -0.00129 0.00010 0.00008 0.00327 0.00333 0.00204 D21 0.00433 -0.00012 -0.00032 -0.00456 -0.00482 -0.00049 D22 3.14052 0.00008 0.00007 0.00333 0.00337 -3.13929 D23 3.14048 -0.00008 0.00004 -0.00338 -0.00333 3.13715 D24 -0.00147 -0.00000 0.00007 0.00047 0.00056 -0.00091 D25 -0.00132 -0.00006 0.00005 -0.00344 -0.00338 -0.00470 D26 3.13991 0.00002 0.00008 0.00041 0.00052 3.14043 D27 3.13390 0.00046 0.00072 0.01573 0.01655 -3.13273 D28 -0.00175 0.00024 0.00029 0.00707 0.00754 0.00579 D29 3.13367 -0.00008 0.00049 -0.00360 -0.00312 3.13055 D30 0.00453 -0.00012 -0.00028 -0.00427 -0.00454 -0.00001 D31 -0.01376 0.00013 0.00092 0.00488 0.00575 -0.00801 D32 3.14029 0.00009 0.00014 0.00420 0.00433 -3.13857 D33 -3.12988 0.00163 0.00017 0.08325 0.08402 -3.04586 D34 0.02841 -0.00070 -0.00218 -0.02179 -0.02395 0.00447 D35 3.12145 0.00081 0.00159 0.03195 0.03342 -3.12831 D36 -0.04118 0.00077 0.00299 0.02570 0.02861 -0.01256 D37 -0.00405 -0.00147 -0.00069 -0.06937 -0.06969 -0.07374 D38 3.11650 -0.00150 0.00071 -0.07562 -0.07449 3.04201 D39 -3.13665 -0.00044 -0.00041 -0.02070 -0.02097 3.12557 D40 -0.01624 -0.00030 0.00067 -0.01822 -0.01751 -0.03375 D41 0.02648 -0.00040 -0.00184 -0.01423 -0.01599 0.01049 D42 -3.13629 -0.00026 -0.00076 -0.01176 -0.01253 3.13436 D43 0.00083 -0.00006 -0.00010 -0.00112 -0.00128 -0.00044 D44 3.12926 -0.00001 0.00072 -0.00047 0.00020 3.12946 D45 -3.11791 -0.00021 -0.00128 -0.00365 -0.00492 -3.12283 D46 0.01052 -0.00016 -0.00046 -0.00299 -0.00345 0.00707 D47 2.08611 -0.00039 0.00194 -0.00896 -0.00705 2.07905 D48 -0.00491 0.00006 0.00032 0.00186 0.00217 -0.00274 D49 -2.09597 0.00052 -0.00122 0.01314 0.01194 -2.08402 D50 -1.04167 -0.00043 0.00108 -0.00960 -0.00856 -1.05023 D51 -3.13269 0.00002 -0.00054 0.00122 0.00067 -3.13202 D52 1.05944 0.00048 -0.00208 0.01250 0.01044 1.06988 D53 0.00085 -0.00007 -0.00002 -0.00342 -0.00344 -0.00259 D54 -3.14110 0.00000 0.00001 0.00042 0.00044 -3.14066 D55 0.00221 0.00004 -0.00016 0.00220 0.00203 0.00424 D56 -2.13678 -0.00019 -0.00079 0.00336 0.00259 -2.13419 D57 2.14156 0.00033 0.00041 0.00121 0.00160 2.14316 Item Value Threshold Converged? Maximum Force 0.006368 0.000450 NO RMS Force 0.001291 0.000300 NO Maximum Displacement 0.134354 0.001800 NO RMS Displacement 0.033219 0.001200 NO Predicted change in Energy=-6.480794D-04 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.974938 -5.017741 2.068032 2 6 0 7.267185 -4.784645 3.540440 3 8 0 6.645218 -6.349245 1.802858 4 7 0 2.735641 -1.993076 0.396132 5 6 0 3.796913 -2.738826 0.815753 6 7 0 4.966771 -2.216072 0.743153 7 6 0 6.059711 -2.934241 1.144086 8 8 0 7.166829 -2.485519 1.195758 9 7 0 5.822316 -4.236022 1.617318 10 6 0 4.574836 -4.752966 1.689005 11 6 0 3.501422 -4.049210 1.299140 12 1 0 7.803739 -4.693862 1.462659 13 1 0 8.133426 -5.363665 3.845256 14 1 0 7.483796 -3.739057 3.715729 15 6 0 1.412087 -2.373882 0.393556 16 1 0 2.922015 -1.074645 0.052695 17 1 0 4.518200 -5.757595 2.059423 18 6 0 2.079129 -4.542754 1.327104 19 1 0 6.423428 -5.084393 4.152612 20 1 0 7.377095 -6.904962 2.027508 21 8 0 0.557180 -1.653738 0.012918 22 1 0 1.950539 -5.420091 0.709122 23 8 0 1.147124 -3.588594 0.844145 24 1 0 1.760463 -4.783199 2.331598 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.519120 0.000000 3 O 1.397117 2.419505 0.000000 4 N 5.469505 6.181781 6.019956 0.000000 5 C 4.106276 4.863340 4.703439 1.363276 0.000000 6 N 3.692884 4.440077 4.585114 2.268940 1.283397 7 C 2.456072 3.259524 3.526904 3.534779 2.294829 8 O 2.685113 3.285359 3.945760 4.529605 3.400720 9 N 1.463819 2.467191 2.275368 4.006203 2.643172 10 C 2.444229 3.267652 2.616782 3.559656 2.329054 11 C 3.687081 4.443563 3.927765 2.372663 1.427616 12 H 1.076237 2.147861 2.048951 5.841005 4.505031 13 H 2.149484 1.085611 2.712475 7.238329 5.905337 14 H 2.146828 1.082082 3.342958 6.050880 4.796189 15 C 6.382725 7.070843 6.721257 1.377249 2.449251 16 H 6.002981 6.693950 6.689299 0.998099 2.029090 17 H 2.565740 3.270620 2.222629 4.485048 3.343641 18 C 4.974287 5.645643 4.933448 2.792593 2.542916 19 H 2.157332 1.084679 2.677758 6.104683 4.851278 20 H 1.930019 2.607065 0.946010 6.952057 5.625188 21 O 7.531775 8.201838 7.894040 2.237789 3.509677 22 H 5.220452 6.056969 4.909134 3.529699 3.257246 23 O 6.124033 6.793797 6.226504 2.295600 2.782858 24 H 5.226397 5.637844 5.156829 3.532956 3.259505 6 7 8 9 10 6 N 0.000000 7 C 1.367856 0.000000 8 O 2.262235 1.195714 0.000000 9 N 2.361423 1.405325 2.247151 0.000000 10 C 2.735704 2.410301 3.478941 1.352248 0.000000 11 C 2.411797 2.795003 3.986355 2.350040 1.341449 12 H 3.834778 2.497877 2.313799 2.039503 3.237366 13 H 5.436735 4.183147 4.029624 3.402428 4.205464 14 H 4.182237 3.047801 2.832327 2.722282 3.687501 15 C 3.575318 4.741066 5.811458 4.941182 4.164278 16 H 2.441437 3.807147 4.616883 4.566629 4.351940 17 H 3.804755 3.344461 4.297398 2.052159 1.072239 18 C 3.754054 4.297190 5.489458 3.766929 2.530556 19 H 4.687593 3.715734 4.006217 2.740217 3.097821 20 H 5.426317 4.275811 4.501943 3.115900 3.549412 21 O 4.504881 5.761690 6.765976 6.079799 5.343786 22 H 4.400517 4.822234 6.004849 4.149398 2.879612 23 O 4.060014 4.965043 6.130029 4.782717 3.717360 24 H 4.403828 4.828287 5.983164 4.160318 2.886960 11 12 13 14 15 11 C 0.000000 12 H 4.353418 0.000000 13 H 5.446646 2.496818 0.000000 14 H 4.668554 2.467861 1.754465 0.000000 15 C 2.827035 6.883205 8.125849 7.054515 0.000000 16 H 3.276794 6.238426 7.741965 6.428589 2.020912 17 H 2.128484 3.504628 4.051449 3.951278 4.885956 18 C 1.505750 5.728208 6.608289 5.963378 2.453663 19 H 4.213315 3.048544 1.759702 1.767817 6.825754 20 H 4.868951 2.321646 2.500368 3.589488 7.666929 21 O 4.007645 7.991040 9.265521 8.126338 1.180830 22 H 2.152365 5.946023 6.933009 6.517860 3.109485 23 O 2.441701 6.776039 7.808070 6.958595 1.322408 24 H 2.153054 6.106081 6.575922 5.980183 3.111620 16 17 18 19 20 16 H 0.000000 17 H 5.338988 0.000000 18 C 3.789771 2.821559 0.000000 19 H 6.719174 2.909388 5.210547 0.000000 20 H 7.598699 3.080706 5.842862 2.956353 0.000000 21 O 2.435031 6.059662 3.519919 7.957345 8.839976 22 H 4.500841 2.920635 1.080813 5.654826 5.778452 23 O 3.177511 4.188749 1.418557 6.404901 7.156199 24 H 4.505106 2.937455 1.080911 5.014983 6.011731 21 22 23 24 21 O 0.000000 22 H 4.075729 0.000000 23 O 2.186925 2.004516 0.000000 24 H 4.076480 1.753336 2.003941 0.000000 Stoichiometry C8H9N3O4 Framework group C1[X(C8H9N3O4)] Deg. of freedom 66 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 3.017266 -0.256122 -0.181121 2 6 0 3.614290 -0.289489 1.215365 3 8 0 3.125656 -1.489824 -0.827779 4 7 0 -2.312267 0.962548 -0.018627 5 6 0 -0.981860 0.667151 -0.054407 6 7 0 -0.150270 1.641668 -0.131115 7 6 0 1.193055 1.388428 -0.179883 8 8 0 2.030939 2.241154 -0.156650 9 7 0 1.583894 0.038940 -0.147227 10 6 0 0.680975 -0.963636 -0.056932 11 6 0 -0.636669 -0.717255 -0.005956 12 1 0 3.464749 0.529879 -0.764427 13 1 0 4.678796 -0.495551 1.161367 14 1 0 3.482158 0.669218 1.699436 15 6 0 -3.352815 0.063851 0.061491 16 1 0 -2.573959 1.925096 -0.053555 17 1 0 1.096574 -1.952008 -0.047209 18 6 0 -1.715834 -1.763831 0.079858 19 1 0 3.146809 -1.062609 1.815596 20 1 0 4.039484 -1.713654 -0.926538 21 8 0 -4.479499 0.416044 0.091548 22 1 0 -1.692305 -2.429839 -0.771046 23 8 0 -3.024155 -1.216246 0.107279 24 1 0 -1.625770 -2.356229 0.979481 --------------------------------------------------------------------- Rotational constants (GHZ): 1.4721183 0.3604750 0.3039944 Standard basis: 6-31G(d) (6D, 7F) There are 243 symmetry adapted cartesian basis functions of A symmetry. There are 243 symmetry adapted basis functions of A symmetry. 243 basis functions, 456 primitive gaussians, 243 cartesian basis functions 55 alpha electrons 55 beta electrons nuclear repulsion energy 1025.3266240603 Hartrees. NAtoms= 24 NActive= 24 NUniq= 24 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. One-electron integrals computed using PRISM. NBasis= 243 RedAO= T EigKep= 8.38D-04 NBF= 243 NBsUse= 243 1.00D-06 EigRej= -1.00D+00 NBFU= 243 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 -0.000000 0.000000 Rot= 0.999975 0.006935 -0.000407 0.001338 Ang= 0.81 deg. ExpMin= 1.61D-01 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn= 5 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 5 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 5 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -771.020639155 A.U. after 13 cycles NFock= 13 Conv=0.53D-08 -V/T= 2.0016 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 -0.002566455 0.000951794 -0.000643899 2 6 0.001000244 0.000807100 0.000357263 3 8 0.001146570 -0.001227497 0.000256585 4 7 -0.000404250 0.003307065 -0.001048983 5 6 -0.002579172 -0.002009694 -0.001191016 6 7 0.002667055 -0.001512698 -0.003923152 7 6 -0.007572832 0.005332497 0.014576418 8 8 0.003975963 -0.001821137 -0.005366921 9 7 0.000475136 -0.000603076 -0.003263351 10 6 0.000501125 -0.001512831 -0.000365848 11 6 0.000890283 0.001945139 -0.000200016 12 1 0.001209174 -0.000459208 -0.000278976 13 1 0.000438818 -0.000366531 0.000180273 14 1 -0.000039501 0.000186145 -0.000140773 15 6 0.004232082 -0.002539977 0.002362617 16 1 0.000249788 -0.000322573 0.000131103 17 1 -0.001110984 0.000814644 -0.000206431 18 6 0.001023670 0.000438365 -0.000176453 19 1 -0.000416061 -0.000246794 -0.000382925 20 1 0.001276134 -0.001386692 0.000316450 21 8 -0.002031969 0.001496711 -0.001186247 22 1 0.000159054 -0.000692957 0.000234177 23 8 -0.002624943 0.000054435 -0.000367727 24 1 0.000101072 -0.000632230 0.000327831 ------------------------------------------------------------------- Cartesian Forces: Max 0.014576418 RMS 0.002586851 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.004148971 RMS 0.001227466 Search for a local minimum. Step number 4 out of a maximum of 134 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Update second derivatives using D2CorX and points 1 2 4 3 DE= 1.02D-04 DEPred=-6.48D-04 R=-1.58D-01 Trust test=-1.58D-01 RLast= 1.97D-01 DXMaxT set to 3.10D-01 ITU= -1 1 1 0 Use linear search instead of GDIIS. Eigenvalues --- 0.00265 0.01070 0.01139 0.01340 0.01602 Eigenvalues --- 0.01614 0.01743 0.01822 0.01843 0.01898 Eigenvalues --- 0.01929 0.02118 0.02535 0.02559 0.04024 Eigenvalues --- 0.05063 0.05344 0.05515 0.05642 0.07082 Eigenvalues --- 0.07441 0.08604 0.12157 0.12486 0.15871 Eigenvalues --- 0.15999 0.16000 0.16011 0.16079 0.16183 Eigenvalues --- 0.18042 0.20490 0.22817 0.23228 0.23772 Eigenvalues --- 0.24183 0.24906 0.24987 0.25000 0.25260 Eigenvalues --- 0.27121 0.28792 0.32204 0.33692 0.33710 Eigenvalues --- 0.33774 0.33811 0.33818 0.34072 0.35453 Eigenvalues --- 0.37895 0.38697 0.41769 0.43065 0.44384 Eigenvalues --- 0.44937 0.45178 0.46340 0.48212 0.48904 Eigenvalues --- 0.49584 0.51606 0.57810 0.71945 0.88474 Eigenvalues --- 0.91142 RFO step: Lambda=-6.20086089D-04 EMin= 2.65103814D-03 Quartic linear search produced a step of -0.53518. Iteration 1 RMS(Cart)= 0.01518110 RMS(Int)= 0.00028111 Iteration 2 RMS(Cart)= 0.00039066 RMS(Int)= 0.00015328 Iteration 3 RMS(Cart)= 0.00000006 RMS(Int)= 0.00015328 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87072 0.00026 0.00152 0.00037 0.00189 2.87261 R2 2.64017 0.00181 0.00546 -0.00789 -0.00243 2.63773 R3 2.76622 0.00244 -0.00382 0.00651 0.00269 2.76891 R4 2.03379 0.00095 -0.00085 0.00361 0.00276 2.03655 R5 2.05151 0.00060 -0.00066 0.00251 0.00186 2.05336 R6 2.04484 0.00015 -0.00008 0.00096 0.00088 2.04572 R7 2.04975 0.00018 -0.00014 0.00087 0.00072 2.05047 R8 1.78770 0.00188 -0.00104 0.00501 0.00397 1.79167 R9 2.57622 0.00036 0.00048 -0.00013 0.00035 2.57657 R10 2.60262 -0.00014 -0.00351 0.00622 0.00271 2.60534 R11 1.88613 -0.00030 -0.00022 -0.00012 -0.00035 1.88579 R12 2.42527 0.00077 -0.00248 0.00456 0.00207 2.42734 R13 2.69780 -0.00053 0.00043 -0.00071 -0.00037 2.69744 R14 2.58487 -0.00105 0.00212 -0.00413 -0.00195 2.58292 R15 2.25957 0.00277 -0.00006 0.00307 0.00301 2.26258 R16 2.65568 -0.00019 -0.00626 0.00821 0.00202 2.65770 R17 2.55538 0.00047 0.00472 -0.00570 -0.00096 2.55442 R18 2.53497 0.00094 -0.00285 0.00502 0.00211 2.53709 R19 2.02624 -0.00078 -0.00104 0.00077 -0.00027 2.02597 R20 2.84546 -0.00015 -0.00033 0.00153 0.00120 2.84665 R21 2.23145 0.00277 -0.00162 0.00635 0.00473 2.23618 R22 2.49899 0.00079 0.00044 0.00158 0.00203 2.50102 R23 2.04244 0.00041 0.00056 0.00031 0.00087 2.04331 R24 2.68068 0.00117 -0.00266 0.00486 0.00221 2.68289 R25 2.04263 0.00042 0.00065 0.00014 0.00079 2.04342 A1 1.95584 -0.00096 -0.00368 0.00519 0.00160 1.95744 A2 1.94763 -0.00144 -0.00041 0.00075 0.00035 1.94798 A3 1.92930 0.00016 -0.00600 0.00657 0.00061 1.92990 A4 1.83867 0.00302 0.01598 -0.02290 -0.00693 1.83174 A5 1.94098 -0.00070 -0.00455 0.00467 0.00021 1.94119 A6 1.84676 0.00006 -0.00046 0.00443 0.00397 1.85073 A7 1.92177 0.00019 -0.00094 0.00356 0.00262 1.92439 A8 1.92174 -0.00009 -0.00096 0.00190 0.00094 1.92269 A9 1.93368 -0.00086 -0.00088 -0.00270 -0.00357 1.93011 A10 1.88615 0.00011 0.00162 -0.00160 0.00001 1.88617 A11 1.89108 0.00028 0.00147 -0.00207 -0.00060 1.89049 A12 1.90850 0.00041 -0.00021 0.00086 0.00065 1.90915 A13 1.90942 0.00064 0.00562 -0.01315 -0.00753 1.90189 A14 2.21111 -0.00169 0.00052 -0.00720 -0.00670 2.20441 A15 2.05320 0.00055 0.00180 -0.00157 0.00025 2.05345 A16 2.01887 0.00114 -0.00233 0.00877 0.00645 2.02532 A17 2.05938 0.00005 0.00286 -0.00368 -0.00075 2.05863 A18 2.03219 0.00111 -0.00092 0.00425 0.00334 2.03553 A19 2.19161 -0.00117 -0.00194 -0.00058 -0.00259 2.18902 A20 2.09196 -0.00027 -0.00127 0.00103 -0.00019 2.09178 A21 2.15970 0.00028 -0.00503 0.01131 0.00543 2.16512 A22 2.03765 0.00191 0.00352 -0.00056 0.00227 2.03992 A23 2.08229 -0.00164 0.00334 -0.00677 -0.00428 2.07801 A24 2.05483 -0.00217 0.00230 -0.00638 -0.00410 2.05072 A25 2.10125 0.00352 -0.00011 0.00684 0.00668 2.10794 A26 2.12681 -0.00135 -0.00214 -0.00070 -0.00278 2.12403 A27 2.12026 -0.00050 -0.00163 0.00145 -0.00023 2.12003 A28 2.01000 0.00142 0.00300 0.00093 0.00396 2.01397 A29 2.15278 -0.00092 -0.00140 -0.00236 -0.00373 2.14905 A30 1.99800 0.00136 0.00315 -0.00090 0.00210 2.00010 A31 2.09746 0.00014 -0.00057 0.00139 0.00084 2.09831 A32 2.18767 -0.00150 -0.00259 -0.00060 -0.00313 2.18454 A33 2.12673 -0.00070 -0.00045 -0.00128 -0.00173 2.12500 A34 2.03297 0.00162 0.00097 0.00570 0.00667 2.03964 A35 2.12348 -0.00092 -0.00052 -0.00441 -0.00493 2.11854 A36 1.94747 -0.00015 -0.00304 0.00494 0.00193 1.94940 A37 1.97556 0.00001 0.00114 -0.00094 0.00018 1.97574 A38 1.94834 -0.00015 -0.00330 0.00569 0.00241 1.95075 A39 1.84748 0.00031 0.00490 -0.00709 -0.00218 1.84530 A40 1.89200 -0.00032 -0.00451 0.00370 -0.00078 1.89122 A41 1.84660 0.00033 0.00527 -0.00728 -0.00202 1.84458 A42 2.21707 -0.00119 -0.00114 -0.00321 -0.00435 2.21272 D1 1.09860 -0.00132 -0.01163 0.01606 0.00440 1.10300 D2 -3.10654 -0.00113 -0.01081 0.01748 0.00664 -3.09990 D3 -0.99309 -0.00125 -0.01229 0.01805 0.00574 -0.98735 D4 -3.12730 0.00090 0.00591 -0.00900 -0.00308 -3.13038 D5 -1.04926 0.00109 0.00673 -0.00758 -0.00084 -1.05010 D6 1.06419 0.00097 0.00525 -0.00700 -0.00174 1.06246 D7 -1.07715 0.00017 0.00128 0.00120 0.00249 -1.07466 D8 1.00090 0.00037 0.00210 0.00262 0.00473 1.00562 D9 3.11435 0.00025 0.00062 0.00320 0.00383 3.11818 D10 -1.07789 0.00021 0.01140 -0.01757 -0.00616 -1.08405 D11 3.08417 0.00057 0.00363 -0.00670 -0.00305 3.08113 D12 1.09137 -0.00083 -0.00242 -0.00155 -0.00401 1.08736 D13 1.54712 -0.00054 0.02020 -0.04996 -0.02976 1.51736 D14 -1.56903 -0.00027 0.01769 -0.03964 -0.02189 -1.59092 D15 -2.60961 -0.00061 0.02581 -0.05779 -0.03201 -2.64163 D16 0.55743 -0.00034 0.02331 -0.04747 -0.02414 0.53328 D17 -0.55219 0.00003 0.02797 -0.06110 -0.03319 -0.58538 D18 2.61485 0.00030 0.02546 -0.05078 -0.02531 2.58953 D19 3.14084 0.00028 0.00261 0.00179 0.00433 -3.13802 D20 0.00204 0.00005 -0.00178 0.00646 0.00469 0.00673 D21 -0.00049 0.00021 0.00258 -0.00086 0.00167 0.00118 D22 -3.13929 -0.00002 -0.00181 0.00381 0.00203 -3.13726 D23 3.13715 0.00017 0.00178 0.00005 0.00184 3.13899 D24 -0.00091 -0.00017 -0.00030 -0.00358 -0.00389 -0.00480 D25 -0.00470 0.00024 0.00181 0.00265 0.00446 -0.00024 D26 3.14043 -0.00009 -0.00028 -0.00098 -0.00128 3.13915 D27 -3.13273 -0.00154 -0.00886 -0.00829 -0.01719 3.13326 D28 0.00579 -0.00129 -0.00403 -0.01342 -0.01758 -0.01179 D29 3.13055 -0.00028 0.00167 -0.01491 -0.01327 3.11729 D30 -0.00001 0.00011 0.00243 -0.00427 -0.00185 -0.00186 D31 -0.00801 -0.00053 -0.00308 -0.00984 -0.01288 -0.02088 D32 -3.13857 -0.00014 -0.00231 0.00081 -0.00146 -3.14003 D33 -3.04586 -0.00413 -0.04497 -0.01778 -0.06344 -3.10931 D34 0.00447 0.00284 0.01282 0.03288 0.04579 0.05025 D35 -3.12831 -0.00259 -0.01788 -0.02101 -0.03886 3.11601 D36 -0.01256 -0.00278 -0.01531 -0.03137 -0.04666 -0.05922 D37 -0.07374 0.00415 0.03730 0.02826 0.06519 -0.00855 D38 3.04201 0.00396 0.03987 0.01790 0.05739 3.09940 D39 3.12557 0.00074 0.01122 -0.00214 0.00892 3.13449 D40 -0.03375 0.00062 0.00937 -0.00030 0.00901 -0.02475 D41 0.01049 0.00103 0.00856 0.00869 0.01714 0.02763 D42 3.13436 0.00090 0.00671 0.01053 0.01722 -3.13160 D43 -0.00044 0.00063 0.00068 0.01163 0.01236 0.01192 D44 3.12946 0.00022 -0.00011 0.00037 0.00033 3.12979 D45 -3.12283 0.00074 0.00263 0.00961 0.01219 -3.11064 D46 0.00707 0.00033 0.00184 -0.00166 0.00016 0.00723 D47 2.07905 0.00014 0.00377 -0.00637 -0.00258 2.07648 D48 -0.00274 -0.00016 -0.00116 -0.00009 -0.00126 -0.00400 D49 -2.08402 -0.00049 -0.00639 0.00590 -0.00050 -2.08452 D50 -1.05023 0.00056 0.00458 0.00550 0.01008 -1.04015 D51 -3.13202 0.00026 -0.00036 0.01178 0.01139 -3.12063 D52 1.06988 -0.00007 -0.00559 0.01778 0.01216 1.08204 D53 -0.00259 0.00011 0.00184 -0.00179 0.00006 -0.00253 D54 -3.14066 -0.00023 -0.00024 -0.00543 -0.00566 3.13687 D55 0.00424 0.00004 -0.00108 0.00332 0.00224 0.00648 D56 -2.13419 0.00001 -0.00138 0.00262 0.00123 -2.13296 D57 2.14316 0.00009 -0.00086 0.00483 0.00396 2.14712 Item Value Threshold Converged? Maximum Force 0.004149 0.000450 NO RMS Force 0.001227 0.000300 NO Maximum Displacement 0.089361 0.001800 NO RMS Displacement 0.015085 0.001200 NO Predicted change in Energy=-6.119691D-04 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.975069 -5.018267 2.068605 2 6 0 7.287877 -4.785318 3.537838 3 8 0 6.631438 -6.345734 1.807670 4 7 0 2.735351 -1.990266 0.388867 5 6 0 3.792184 -2.735142 0.821633 6 7 0 4.963525 -2.211756 0.758830 7 6 0 6.049355 -2.920338 1.191374 8 8 0 7.168573 -2.495058 1.196994 9 7 0 5.815900 -4.235067 1.632878 10 6 0 4.568718 -4.752709 1.694445 11 6 0 3.496055 -4.044621 1.306510 12 1 0 7.798772 -4.699877 1.450892 13 1 0 8.156475 -5.366927 3.834408 14 1 0 7.508751 -3.739803 3.711092 15 6 0 1.412161 -2.377427 0.382060 16 1 0 2.925430 -1.073665 0.043107 17 1 0 4.506557 -5.760598 2.054563 18 6 0 2.074483 -4.542571 1.325846 19 1 0 6.449422 -5.083957 4.158455 20 1 0 7.368696 -6.902523 2.020629 21 8 0 0.555875 -1.661633 -0.011252 22 1 0 1.950281 -5.421044 0.707779 23 8 0 1.141945 -3.591426 0.834609 24 1 0 1.747109 -4.782271 2.328166 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.520117 0.000000 3 O 1.395829 2.420597 0.000000 4 N 5.474078 6.201115 6.013535 0.000000 5 C 4.110761 4.878612 4.697873 1.363460 0.000000 6 N 3.693010 4.443953 4.579495 2.269513 1.284491 7 C 2.455156 3.243144 3.528737 3.534356 2.294739 8 O 2.676515 3.277052 3.935625 4.534462 3.405663 9 N 1.465243 2.469487 2.269488 4.009548 2.646378 10 C 2.449702 3.285268 2.608709 3.563266 2.331390 11 C 3.692196 4.461543 3.921340 2.375103 1.427422 12 H 1.077696 2.150268 2.049098 5.840216 4.506539 13 H 2.152984 1.086593 2.718725 7.256871 5.920315 14 H 2.148733 1.082546 3.344185 6.073171 4.813646 15 C 6.384702 7.090903 6.709745 1.378685 2.446568 16 H 6.005173 6.709728 6.681534 0.997916 2.029254 17 H 2.577751 3.299547 2.217760 4.486326 3.344223 18 C 4.979329 5.668448 4.924367 2.798024 2.543919 19 H 2.155944 1.085061 2.674211 6.129848 4.869520 20 H 1.925529 2.605957 0.948111 6.947000 5.621040 21 O 7.536501 8.226378 7.884272 2.240136 3.509959 22 H 5.221357 6.074809 4.896738 3.533876 3.258778 23 O 6.130576 6.819480 6.218328 2.302465 2.785168 24 H 5.239716 5.671281 5.154804 3.540169 3.262316 6 7 8 9 10 6 N 0.000000 7 C 1.366825 0.000000 8 O 2.265940 1.197307 0.000000 9 N 2.363109 1.406392 2.246630 0.000000 10 C 2.736364 2.408931 3.479035 1.351741 0.000000 11 C 2.410978 2.792241 3.987546 2.350418 1.342568 12 H 3.835143 2.508898 2.307128 2.044737 3.239653 13 H 5.441434 4.172694 4.022378 3.406778 4.222405 14 H 4.186759 3.024953 2.825916 2.725804 3.706297 15 C 3.575135 4.738492 5.815001 4.940474 4.162712 16 H 2.441586 3.806261 4.621263 4.569097 4.354615 17 H 3.805524 3.345503 4.299476 2.054127 1.072095 18 C 3.755098 4.295268 5.491690 3.766566 2.530065 19 H 4.692001 3.693897 3.998728 2.738705 3.117390 20 H 5.420358 4.276228 4.488226 3.110764 3.545134 21 O 4.508108 5.762722 6.773642 6.082235 5.344816 22 H 4.402473 4.825951 6.002607 4.147934 2.876872 23 O 4.063706 4.965916 6.136252 4.785119 3.718961 24 H 4.406324 4.823734 5.991925 4.163882 2.892050 11 12 13 14 15 11 C 0.000000 12 H 4.354719 0.000000 13 H 5.464272 2.500810 0.000000 14 H 4.687927 2.472723 1.755644 0.000000 15 C 2.824316 6.879315 8.145034 7.078625 0.000000 16 H 3.278472 6.235442 7.756925 6.447421 2.025998 17 H 2.127269 3.511156 4.079794 3.980059 4.880410 18 C 1.506384 5.727814 6.630465 5.988748 2.453008 19 H 4.235113 3.049452 1.760429 1.768915 6.852770 20 H 4.865688 2.315429 2.503686 3.588883 7.657788 21 O 4.007467 7.989264 9.289102 8.155803 1.183335 22 H 2.154631 5.939456 6.949501 6.537817 3.107937 23 O 2.443341 6.776564 7.832932 6.988018 1.323484 24 H 2.155625 6.115473 6.609883 6.016290 3.111718 16 17 18 19 20 16 H 0.000000 17 H 5.339780 0.000000 18 C 3.795107 2.815955 0.000000 19 H 6.740701 2.942606 5.239929 0.000000 20 H 7.591363 3.081718 5.837875 2.953397 0.000000 21 O 2.442018 6.056153 3.520484 7.989534 8.832327 22 H 4.504709 2.909239 1.081272 5.680058 5.768672 23 O 3.185344 4.184998 1.419725 6.437772 7.151394 24 H 4.512614 2.940499 1.081330 5.054970 6.016003 21 22 23 24 21 O 0.000000 22 H 4.073641 0.000000 23 O 2.187021 2.004245 0.000000 24 H 4.078026 1.753557 2.003758 0.000000 Stoichiometry C8H9N3O4 Framework group C1[X(C8H9N3O4)] Deg. of freedom 66 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 3.018486 -0.258100 -0.191005 2 6 0 3.637105 -0.276738 1.197418 3 8 0 3.111572 -1.497952 -0.825386 4 7 0 -2.313592 0.969255 -0.023456 5 6 0 -0.983949 0.668542 -0.048842 6 7 0 -0.148063 1.641022 -0.122966 7 6 0 1.194330 1.384382 -0.141054 8 8 0 2.038647 2.232570 -0.176401 9 7 0 1.583385 0.032877 -0.138523 10 6 0 0.677708 -0.966778 -0.051098 11 6 0 -0.639942 -0.715722 0.005979 12 1 0 3.458570 0.521264 -0.791293 13 1 0 4.701953 -0.482949 1.132144 14 1 0 3.510263 0.686264 1.675377 15 6 0 -3.353087 0.067202 0.057316 16 1 0 -2.571507 1.932375 -0.064884 17 1 0 1.085996 -1.958081 -0.048350 18 6 0 -1.719778 -1.762689 0.089692 19 1 0 3.177703 -1.045923 1.809514 20 1 0 4.026747 -1.718568 -0.938071 21 8 0 -4.482782 0.418924 0.076352 22 1 0 -1.694954 -2.431250 -0.759755 23 8 0 -3.029451 -1.215011 0.110232 24 1 0 -1.636002 -2.354045 0.991109 --------------------------------------------------------------------- Rotational constants (GHZ): 1.4764424 0.3599185 0.3035014 Standard basis: 6-31G(d) (6D, 7F) There are 243 symmetry adapted cartesian basis functions of A symmetry. There are 243 symmetry adapted basis functions of A symmetry. 243 basis functions, 456 primitive gaussians, 243 cartesian basis functions 55 alpha electrons 55 beta electrons nuclear repulsion energy 1024.9344457024 Hartrees. NAtoms= 24 NActive= 24 NUniq= 24 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. One-electron integrals computed using PRISM. NBasis= 243 RedAO= T EigKep= 8.42D-04 NBF= 243 NBsUse= 243 1.00D-06 EigRej= -1.00D+00 NBFU= 243 Lowest energy guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 -0.000000 0.000000 Rot= 0.999963 0.008314 -0.000911 0.001833 Ang= 0.98 deg. B after Tr= -0.000000 0.000000 0.000000 Rot= 0.999999 0.001391 -0.000501 0.000506 Ang= 0.18 deg. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -771.021150834 A.U. after 12 cycles NFock= 12 Conv=0.61D-08 -V/T= 2.0017 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 -0.003496305 0.001514579 -0.000979898 2 6 0.000760347 0.000461310 0.000360594 3 8 0.004533678 -0.003759059 0.001539814 4 7 -0.001409630 -0.000072681 -0.000116007 5 6 -0.001281769 -0.001037195 0.000549610 6 7 0.001546713 0.000486294 0.001450990 7 6 -0.001420079 -0.002024464 -0.003607776 8 8 -0.000544678 0.000842334 0.001562589 9 7 0.000221854 0.003385291 0.001193719 10 6 0.000030484 -0.000921811 0.000196079 11 6 0.000530166 0.001402275 -0.000554163 12 1 -0.000042472 -0.000476422 0.000095605 13 1 -0.000054931 -0.000007878 -0.000304819 14 1 -0.000057534 -0.000203280 -0.000232554 15 6 -0.000130829 0.000516287 -0.000933832 16 1 -0.000332808 -0.000122651 0.000081267 17 1 -0.000695769 0.000755261 -0.000250379 18 6 0.000147889 0.000426997 -0.000300937 19 1 -0.000130537 -0.000057526 -0.000357322 20 1 -0.000953491 -0.000796164 -0.000481799 21 8 0.001687325 -0.000811766 0.000770021 22 1 0.000539769 -0.000525509 0.000463895 23 8 0.000039665 0.001559557 -0.000280200 24 1 0.000512942 -0.000533779 0.000135503 ------------------------------------------------------------------- Cartesian Forces: Max 0.004533678 RMS 0.001264851 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.004416745 RMS 0.000912033 Search for a local minimum. Step number 5 out of a maximum of 134 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Update second derivatives using D2CorX and points 1 2 4 3 5 DE= -4.10D-04 DEPred=-6.12D-04 R= 6.69D-01 TightC=F SS= 1.41D+00 RLast= 2.06D-01 DXNew= 5.2153D-01 6.1950D-01 Trust test= 6.69D-01 RLast= 2.06D-01 DXMaxT set to 5.22D-01 ITU= 1 -1 1 1 0 Use linear search instead of GDIIS. Eigenvalues --- 0.00265 0.00766 0.01135 0.01340 0.01599 Eigenvalues --- 0.01618 0.01742 0.01824 0.01844 0.01898 Eigenvalues --- 0.01933 0.02118 0.02537 0.02560 0.05038 Eigenvalues --- 0.05341 0.05531 0.05626 0.06283 0.07408 Eigenvalues --- 0.08459 0.08675 0.12190 0.12483 0.15871 Eigenvalues --- 0.16000 0.16002 0.16038 0.16142 0.16280 Eigenvalues --- 0.18713 0.21030 0.22556 0.23225 0.23792 Eigenvalues --- 0.24330 0.24994 0.24999 0.25096 0.25189 Eigenvalues --- 0.28386 0.29593 0.32627 0.33579 0.33711 Eigenvalues --- 0.33786 0.33811 0.33818 0.34075 0.35016 Eigenvalues --- 0.37126 0.38497 0.41799 0.44100 0.44633 Eigenvalues --- 0.45161 0.45848 0.47496 0.48822 0.49145 Eigenvalues --- 0.49636 0.51395 0.57693 0.71765 0.88513 Eigenvalues --- 0.91589 RFO step: Lambda=-2.95800374D-04 EMin= 2.65011824D-03 Quartic linear search produced a step of -0.24260. Iteration 1 RMS(Cart)= 0.02128123 RMS(Int)= 0.00016157 Iteration 2 RMS(Cart)= 0.00023424 RMS(Int)= 0.00001176 Iteration 3 RMS(Cart)= 0.00000002 RMS(Int)= 0.00001176 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87261 -0.00038 0.00023 -0.00144 -0.00120 2.87140 R2 2.63773 0.00325 0.00306 -0.00083 0.00223 2.63997 R3 2.76891 0.00211 -0.00239 0.00845 0.00606 2.77497 R4 2.03655 -0.00023 -0.00105 0.00098 -0.00008 2.03647 R5 2.05336 -0.00012 -0.00075 0.00082 0.00007 2.05343 R6 2.04572 -0.00025 -0.00025 -0.00049 -0.00074 2.04497 R7 2.05047 -0.00009 -0.00024 -0.00018 -0.00042 2.05005 R8 1.79167 -0.00038 -0.00143 0.00106 -0.00037 1.79130 R9 2.57657 0.00006 0.00013 -0.00055 -0.00041 2.57615 R10 2.60534 -0.00189 -0.00225 0.00065 -0.00160 2.60374 R11 1.88579 -0.00020 -0.00002 -0.00015 -0.00017 1.88562 R12 2.42734 0.00002 -0.00162 0.00305 0.00143 2.42876 R13 2.69744 -0.00127 0.00028 -0.00333 -0.00306 2.69437 R14 2.58292 -0.00129 0.00144 -0.00519 -0.00375 2.57918 R15 2.26258 -0.00020 -0.00076 0.00030 -0.00046 2.26212 R16 2.65770 -0.00041 -0.00333 0.00505 0.00174 2.65943 R17 2.55442 0.00006 0.00237 -0.00460 -0.00222 2.55220 R18 2.53709 0.00008 -0.00181 0.00363 0.00181 2.53890 R19 2.02597 -0.00075 -0.00040 -0.00038 -0.00079 2.02518 R20 2.84665 -0.00096 -0.00044 -0.00066 -0.00110 2.84555 R21 2.23618 -0.00197 -0.00188 0.00054 -0.00134 2.23484 R22 2.50102 -0.00067 -0.00029 -0.00160 -0.00189 2.49914 R23 2.04331 0.00010 0.00004 -0.00029 -0.00025 2.04306 R24 2.68289 0.00088 -0.00174 0.00442 0.00267 2.68557 R25 2.04342 0.00009 0.00010 -0.00040 -0.00030 2.04312 A1 1.95744 -0.00180 -0.00206 0.00130 -0.00075 1.95669 A2 1.94798 -0.00179 -0.00027 -0.00050 -0.00079 1.94719 A3 1.92990 0.00063 -0.00287 -0.00145 -0.00431 1.92559 A4 1.83174 0.00442 0.00892 0.00744 0.01636 1.84810 A5 1.94119 -0.00073 -0.00211 -0.00379 -0.00586 1.93532 A6 1.85073 -0.00053 -0.00117 -0.00288 -0.00404 1.84669 A7 1.92439 -0.00028 -0.00106 0.00127 0.00021 1.92459 A8 1.92269 -0.00013 -0.00066 0.00086 0.00019 1.92288 A9 1.93011 -0.00043 0.00047 -0.00283 -0.00236 1.92775 A10 1.88617 0.00022 0.00073 -0.00052 0.00022 1.88638 A11 1.89049 0.00036 0.00081 -0.00033 0.00048 1.89096 A12 1.90915 0.00029 -0.00026 0.00160 0.00134 1.91049 A13 1.90189 0.00229 0.00437 0.00122 0.00559 1.90748 A14 2.20441 -0.00004 0.00186 -0.00242 -0.00055 2.20386 A15 2.05345 0.00029 0.00076 -0.00046 0.00030 2.05375 A16 2.02532 -0.00026 -0.00262 0.00287 0.00025 2.02557 A17 2.05863 0.00013 0.00148 -0.00242 -0.00094 2.05769 A18 2.03553 0.00045 -0.00123 0.00259 0.00136 2.03690 A19 2.18902 -0.00058 -0.00025 -0.00018 -0.00042 2.18860 A20 2.09178 -0.00033 -0.00053 -0.00054 -0.00104 2.09074 A21 2.16512 -0.00105 -0.00359 0.00466 0.00101 2.16613 A22 2.03992 0.00136 0.00105 0.00151 0.00255 2.04246 A23 2.07801 -0.00028 0.00255 -0.00592 -0.00342 2.07459 A24 2.05072 -0.00113 0.00204 -0.00787 -0.00584 2.04488 A25 2.10794 0.00209 -0.00167 0.00926 0.00757 2.11551 A26 2.12403 -0.00096 -0.00029 -0.00169 -0.00196 2.12207 A27 2.12003 -0.00050 -0.00068 0.00033 -0.00035 2.11968 A28 2.01397 0.00099 0.00040 0.00220 0.00259 2.01656 A29 2.14905 -0.00049 0.00027 -0.00248 -0.00221 2.14684 A30 2.00010 0.00105 0.00092 0.00026 0.00118 2.00128 A31 2.09831 -0.00013 -0.00046 0.00030 -0.00016 2.09815 A32 2.18454 -0.00092 -0.00042 -0.00060 -0.00101 2.18353 A33 2.12500 -0.00047 0.00022 -0.00096 -0.00074 2.12426 A34 2.03964 -0.00001 -0.00118 0.00136 0.00018 2.03981 A35 2.11854 0.00048 0.00096 -0.00039 0.00056 2.11911 A36 1.94940 -0.00036 -0.00185 0.00194 0.00010 1.94950 A37 1.97574 -0.00030 0.00047 -0.00116 -0.00069 1.97504 A38 1.95075 -0.00037 -0.00208 0.00194 -0.00013 1.95062 A39 1.84530 0.00073 0.00275 -0.00140 0.00135 1.84665 A40 1.89122 -0.00020 -0.00186 0.00109 -0.00074 1.89049 A41 1.84458 0.00060 0.00288 -0.00271 0.00016 1.84474 A42 2.21272 0.00003 0.00054 -0.00068 -0.00014 2.21257 D1 1.10300 -0.00169 -0.00634 -0.00293 -0.00927 1.09372 D2 -3.09990 -0.00167 -0.00651 -0.00223 -0.00876 -3.10866 D3 -0.98735 -0.00167 -0.00696 -0.00152 -0.00849 -0.99584 D4 -3.13038 0.00152 0.00343 0.00701 0.01044 -3.11994 D5 -1.05010 0.00154 0.00325 0.00770 0.01096 -1.03914 D6 1.06246 0.00154 0.00280 0.00842 0.01122 1.07368 D7 -1.07466 0.00013 -0.00002 0.00217 0.00215 -1.07251 D8 1.00562 0.00014 -0.00020 0.00286 0.00267 1.00829 D9 3.11818 0.00014 -0.00065 0.00357 0.00293 3.12111 D10 -1.08405 0.00021 0.00666 -0.00398 0.00269 -1.08136 D11 3.08113 0.00058 0.00238 -0.00887 -0.00650 3.07462 D12 1.08736 -0.00087 -0.00013 -0.00779 -0.00792 1.07945 D13 1.51736 -0.00041 0.01638 -0.05488 -0.03850 1.47886 D14 -1.59092 -0.00031 0.01333 -0.04490 -0.03156 -1.62248 D15 -2.64163 -0.00080 0.01947 -0.04888 -0.02942 -2.67104 D16 0.53328 -0.00070 0.01642 -0.03891 -0.02248 0.51080 D17 -0.58538 0.00018 0.02073 -0.05102 -0.03030 -0.61568 D18 2.58953 0.00028 0.01768 -0.04105 -0.02337 2.56616 D19 -3.13802 -0.00004 0.00013 -0.00003 0.00010 -3.13792 D20 0.00673 -0.00006 -0.00195 0.00188 -0.00007 0.00666 D21 0.00118 -0.00004 0.00076 -0.00140 -0.00064 0.00054 D22 -3.13726 -0.00006 -0.00131 0.00051 -0.00081 -3.13806 D23 3.13899 -0.00014 0.00036 -0.00353 -0.00316 3.13583 D24 -0.00480 0.00014 0.00081 0.00225 0.00305 -0.00175 D25 -0.00024 -0.00013 -0.00026 -0.00217 -0.00244 -0.00268 D26 3.13915 0.00014 0.00018 0.00360 0.00378 -3.14025 D27 3.13326 0.00041 0.00016 0.00174 0.00191 3.13517 D28 -0.01179 0.00044 0.00244 -0.00035 0.00210 -0.00969 D29 3.11729 0.00010 0.00397 -0.00579 -0.00181 3.11548 D30 -0.00186 -0.00003 0.00155 -0.00370 -0.00214 -0.00400 D31 -0.02088 0.00007 0.00173 -0.00372 -0.00199 -0.02288 D32 -3.14003 -0.00006 -0.00069 -0.00163 -0.00233 3.14083 D33 -3.10931 0.00120 -0.00499 0.02177 0.01681 -3.09250 D34 0.05025 -0.00074 -0.00530 0.00474 -0.00056 0.04969 D35 3.11601 0.00069 0.00132 0.00460 0.00590 3.12191 D36 -0.05922 0.00065 0.00438 -0.00526 -0.00088 -0.06010 D37 -0.00855 -0.00115 0.00109 -0.01166 -0.01057 -0.01912 D38 3.09940 -0.00119 0.00415 -0.02151 -0.01734 3.08206 D39 3.13449 -0.00030 0.00292 -0.00939 -0.00647 3.12802 D40 -0.02475 -0.00021 0.00206 -0.00651 -0.00445 -0.02919 D41 0.02763 -0.00019 -0.00028 0.00112 0.00084 0.02847 D42 -3.13160 -0.00011 -0.00114 0.00399 0.00286 -3.12874 D43 0.01192 -0.00020 -0.00269 0.00309 0.00040 0.01232 D44 3.12979 -0.00005 -0.00013 0.00090 0.00077 3.13056 D45 -3.11064 -0.00030 -0.00176 -0.00006 -0.00182 -3.11246 D46 0.00723 -0.00016 0.00080 -0.00226 -0.00146 0.00577 D47 2.07648 0.00051 0.00234 0.00036 0.00271 2.07919 D48 -0.00400 0.00004 -0.00022 0.00160 0.00138 -0.00262 D49 -2.08452 -0.00027 -0.00278 0.00453 0.00174 -2.08277 D50 -1.04015 0.00035 -0.00037 0.00267 0.00231 -1.03784 D51 -3.12063 -0.00013 -0.00293 0.00391 0.00098 -3.11965 D52 1.08204 -0.00044 -0.00548 0.00684 0.00134 1.08338 D53 -0.00253 -0.00013 0.00082 -0.00478 -0.00396 -0.00650 D54 3.13687 0.00014 0.00127 0.00097 0.00223 3.13910 D55 0.00648 0.00005 -0.00104 0.00287 0.00183 0.00832 D56 -2.13296 0.00018 -0.00093 0.00213 0.00120 -2.13176 D57 2.14712 -0.00018 -0.00135 0.00271 0.00136 2.14848 Item Value Threshold Converged? Maximum Force 0.004417 0.000450 NO RMS Force 0.000912 0.000300 NO Maximum Displacement 0.071255 0.001800 NO RMS Displacement 0.021281 0.001200 NO Predicted change in Energy=-1.930247D-04 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.970414 -5.030712 2.068967 2 6 0 7.303918 -4.766544 3.527668 3 8 0 6.641760 -6.368848 1.838717 4 7 0 2.735590 -1.985148 0.397611 5 6 0 3.788233 -2.736712 0.828336 6 7 0 4.961435 -2.214541 0.775529 7 6 0 6.041964 -2.929904 1.203904 8 8 0 7.160050 -2.503408 1.234701 9 7 0 5.806306 -4.249826 1.631450 10 6 0 4.558657 -4.764244 1.684099 11 6 0 3.488586 -4.048616 1.299536 12 1 0 7.786128 -4.721122 1.436429 13 1 0 8.180177 -5.337332 3.822860 14 1 0 7.520931 -3.716902 3.676700 15 6 0 1.412439 -2.369132 0.381282 16 1 0 2.929326 -1.065693 0.061860 17 1 0 4.489793 -5.774338 2.035469 18 6 0 2.066396 -4.543275 1.310900 19 1 0 6.475770 -5.058441 4.164728 20 1 0 7.386870 -6.915215 2.050461 21 8 0 0.560204 -1.646554 -0.006251 22 1 0 1.942093 -5.417034 0.686431 23 8 0 1.137164 -3.584405 0.824344 24 1 0 1.735794 -4.790053 2.310267 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.519480 0.000000 3 O 1.397010 2.420410 0.000000 4 N 5.477465 6.197018 6.045807 0.000000 5 C 4.114351 4.875106 4.728203 1.363242 0.000000 6 N 3.693210 4.424276 4.605664 2.269323 1.285245 7 C 2.454333 3.219574 3.548110 3.531966 2.292963 8 O 2.668188 3.224931 3.946529 4.532676 3.404220 9 N 1.468452 2.470927 2.287181 4.010040 2.647098 10 C 2.456766 3.306843 2.634004 3.563986 2.331689 11 C 3.698603 4.476243 3.951797 2.374525 1.425801 12 H 1.077655 2.146595 2.046073 5.837177 4.504535 13 H 2.152599 1.086631 2.714327 7.253481 5.917734 14 H 2.148016 1.082153 3.344240 6.053997 4.796560 15 C 6.389317 7.096256 6.742970 1.377839 2.445275 16 H 6.006683 6.696654 6.712886 0.997828 2.029165 17 H 2.589900 3.340899 2.241231 4.485283 3.343132 18 C 4.986146 5.691708 4.954318 2.797486 2.541900 19 H 2.153522 1.084840 2.674892 6.133942 4.872864 20 H 1.930059 2.608794 0.947913 6.976523 5.648333 21 O 7.539884 8.228037 7.917657 2.238315 3.507869 22 H 5.229212 6.102862 4.931591 3.534246 3.257682 23 O 6.137401 6.836246 6.251612 2.301019 2.783301 24 H 5.245702 5.699703 5.175274 3.539115 3.259576 6 7 8 9 10 6 N 0.000000 7 C 1.364842 0.000000 8 O 2.264551 1.197064 0.000000 9 N 2.364064 1.407312 2.244997 0.000000 10 C 2.736552 2.407404 3.475713 1.350565 0.000000 11 C 2.409917 2.789337 3.983907 2.349995 1.343527 12 H 3.833880 2.510904 2.313207 2.044468 3.237247 13 H 5.422025 4.150493 3.971190 3.408842 4.244777 14 H 4.150289 2.986876 2.750666 2.721579 3.720545 15 C 3.574171 4.735364 5.812175 4.940243 4.163242 16 H 2.441032 3.803690 4.619697 4.569390 4.354958 17 H 3.805530 3.345377 4.297731 2.054404 1.071678 18 C 3.753781 4.291801 5.487456 3.765075 2.529718 19 H 4.676286 3.672239 3.947340 2.742178 3.148872 20 H 5.441004 4.290470 4.492322 3.126987 3.572069 21 O 4.506065 5.758572 6.769942 6.081174 5.344615 22 H 4.402309 4.823125 6.001407 4.145790 2.875393 23 O 4.062506 4.962812 6.132870 4.784881 3.719921 24 H 4.403799 4.819471 5.983990 4.161935 2.891593 11 12 13 14 15 11 C 0.000000 12 H 4.351996 0.000000 13 H 5.480782 2.496005 0.000000 14 H 4.692627 2.469332 1.755495 0.000000 15 C 2.823870 6.875253 8.152113 7.070356 0.000000 16 H 3.277566 6.232185 7.743607 6.417072 2.025322 17 H 2.126530 3.511971 4.123673 4.014285 4.878716 18 C 1.505803 5.723873 6.657235 6.002654 2.453313 19 H 4.260556 3.045396 1.760584 1.769255 6.869074 20 H 4.896722 2.313112 2.502088 3.590520 7.690699 21 O 4.006295 7.984252 9.292358 8.142616 1.182626 22 H 2.154091 5.932920 6.982637 6.554052 3.108594 23 O 2.443458 6.773145 7.852890 6.993280 1.322486 24 H 2.154898 6.113501 6.642102 6.040414 3.112299 16 17 18 19 20 16 H 0.000000 17 H 5.338682 0.000000 18 C 3.794512 2.813071 0.000000 19 H 6.734451 2.998393 5.277529 0.000000 20 H 7.618473 3.113660 5.872009 2.957674 0.000000 21 O 2.440241 6.053833 3.520581 8.001997 8.865225 22 H 4.505428 2.904883 1.081142 5.725501 5.809537 23 O 3.183887 4.183629 1.421140 6.467740 7.187244 24 H 4.511176 2.937489 1.081172 5.096904 6.043051 21 22 23 24 21 O 0.000000 22 H 4.075039 0.000000 23 O 2.185872 2.006354 0.000000 24 H 4.077972 1.752857 2.004972 0.000000 Stoichiometry C8H9N3O4 Framework group C1[X(C8H9N3O4)] Deg. of freedom 66 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 3.019010 -0.263288 -0.195771 2 6 0 3.642416 -0.224408 1.189391 3 8 0 3.140625 -1.520804 -0.792011 4 7 0 -2.315293 0.969532 -0.028493 5 6 0 -0.986894 0.664364 -0.054084 6 7 0 -0.148270 1.635160 -0.132319 7 6 0 1.191215 1.374112 -0.152994 8 8 0 2.039434 2.218495 -0.175474 9 7 0 1.579206 0.021351 -0.147863 10 6 0 0.671688 -0.974502 -0.054530 11 6 0 -0.645931 -0.718800 0.005161 12 1 0 3.448831 0.501711 -0.821367 13 1 0 4.710219 -0.415962 1.127175 14 1 0 3.501686 0.751782 1.634701 15 6 0 -3.356562 0.071201 0.056355 16 1 0 -2.570294 1.933229 -0.072357 17 1 0 1.074537 -1.967553 -0.047156 18 6 0 -1.727386 -1.762627 0.096390 19 1 0 3.196525 -0.980303 1.827108 20 1 0 4.059127 -1.728003 -0.901390 21 8 0 -4.484209 0.426914 0.078385 22 1 0 -1.705059 -2.436267 -0.748938 23 8 0 -3.036771 -1.210606 0.116948 24 1 0 -1.643043 -2.349242 1.000658 --------------------------------------------------------------------- Rotational constants (GHZ): 1.4838615 0.3588407 0.3026818 Standard basis: 6-31G(d) (6D, 7F) There are 243 symmetry adapted cartesian basis functions of A symmetry. There are 243 symmetry adapted basis functions of A symmetry. 243 basis functions, 456 primitive gaussians, 243 cartesian basis functions 55 alpha electrons 55 beta electrons nuclear repulsion energy 1024.6638126787 Hartrees. NAtoms= 24 NActive= 24 NUniq= 24 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. One-electron integrals computed using PRISM. NBasis= 243 RedAO= T EigKep= 8.45D-04 NBF= 243 NBsUse= 243 1.00D-06 EigRej= -1.00D+00 NBFU= 243 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 -0.000000 -0.000000 Rot= 0.999988 0.004921 0.000194 -0.000243 Ang= 0.56 deg. ExpMin= 1.61D-01 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn= 5 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 5 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 5 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -771.021359879 A.U. after 12 cycles NFock= 12 Conv=0.42D-08 -V/T= 2.0017 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 -0.000653643 0.001328294 -0.001350928 2 6 0.000086318 0.000441844 0.000760657 3 8 0.000222055 -0.000926122 0.000757660 4 7 -0.000580721 -0.000175019 -0.000183837 5 6 -0.000579149 -0.000123136 0.000002647 6 7 0.000408005 0.000184843 0.000457474 7 6 -0.000859160 -0.001797565 -0.000267869 8 8 0.000429149 0.001062814 -0.000022206 9 7 0.001058927 0.000588774 0.000850746 10 6 -0.000212466 -0.000915608 -0.000003524 11 6 0.000794189 0.000448181 -0.000274964 12 1 -0.000002062 -0.000206699 -0.000026704 13 1 -0.000149807 -0.000088495 -0.000441926 14 1 -0.000087361 -0.000210542 -0.000168346 15 6 0.000268105 0.000799149 0.000286329 16 1 -0.000276843 -0.000076222 0.000037408 17 1 -0.000232065 0.000072218 -0.000074588 18 6 -0.000455555 0.000872073 -0.000491090 19 1 -0.000178502 -0.000102275 -0.000013027 20 1 -0.000490845 0.000079051 -0.000186663 21 8 0.000386040 -0.000042350 -0.000212563 22 1 0.000354734 -0.000449401 0.000249958 23 8 0.000411142 -0.000337128 0.000107260 24 1 0.000339514 -0.000426677 0.000208096 ------------------------------------------------------------------- Cartesian Forces: Max 0.001797565 RMS 0.000537795 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.001360927 RMS 0.000326956 Search for a local minimum. Step number 6 out of a maximum of 134 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swapping is turned off. Update second derivatives using D2CorX and points 2 4 3 5 6 DE= -2.09D-04 DEPred=-1.93D-04 R= 1.08D+00 TightC=F SS= 1.41D+00 RLast= 8.70D-02 DXNew= 8.7710D-01 2.6100D-01 Trust test= 1.08D+00 RLast= 8.70D-02 DXMaxT set to 5.22D-01 ITU= 1 1 -1 1 1 0 Eigenvalues --- 0.00264 0.00520 0.01135 0.01341 0.01618 Eigenvalues --- 0.01639 0.01759 0.01824 0.01851 0.01898 Eigenvalues --- 0.01952 0.02119 0.02544 0.02564 0.05096 Eigenvalues --- 0.05343 0.05541 0.05625 0.06877 0.07519 Eigenvalues --- 0.08386 0.08596 0.12362 0.12479 0.15960 Eigenvalues --- 0.15984 0.16002 0.16083 0.16137 0.16264 Eigenvalues --- 0.18860 0.21996 0.23143 0.23707 0.23916 Eigenvalues --- 0.24525 0.24991 0.24995 0.25072 0.26079 Eigenvalues --- 0.28540 0.29834 0.32180 0.33646 0.33731 Eigenvalues --- 0.33807 0.33812 0.33866 0.34056 0.34942 Eigenvalues --- 0.38313 0.39262 0.41864 0.43709 0.44404 Eigenvalues --- 0.45178 0.46396 0.47301 0.48664 0.48898 Eigenvalues --- 0.50546 0.51540 0.57898 0.71741 0.88476 Eigenvalues --- 0.91673 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 6 5 RFO step: Lambda=-9.75500330D-05. DidBck=F Rises=F RFO-DIIS coefs: 1.84444 -0.84444 Iteration 1 RMS(Cart)= 0.02061388 RMS(Int)= 0.00016265 Iteration 2 RMS(Cart)= 0.00024027 RMS(Int)= 0.00001086 Iteration 3 RMS(Cart)= 0.00000002 RMS(Int)= 0.00001086 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87140 0.00007 -0.00102 0.00074 -0.00027 2.87113 R2 2.63997 0.00078 0.00188 -0.00046 0.00142 2.64139 R3 2.77497 -0.00136 0.00512 -0.00545 -0.00032 2.77465 R4 2.03647 -0.00005 -0.00007 0.00021 0.00015 2.03662 R5 2.05343 -0.00019 0.00006 -0.00041 -0.00034 2.05309 R6 2.04497 -0.00024 -0.00063 -0.00040 -0.00102 2.04395 R7 2.05005 0.00016 -0.00035 0.00067 0.00032 2.05037 R8 1.79130 -0.00047 -0.00032 -0.00044 -0.00075 1.79054 R9 2.57615 0.00009 -0.00035 0.00029 -0.00005 2.57610 R10 2.60374 -0.00086 -0.00135 -0.00034 -0.00169 2.60205 R11 1.88562 -0.00014 -0.00014 -0.00018 -0.00032 1.88530 R12 2.42876 -0.00001 0.00120 -0.00011 0.00109 2.42985 R13 2.69437 -0.00044 -0.00259 0.00006 -0.00254 2.69184 R14 2.57918 -0.00010 -0.00316 0.00104 -0.00212 2.57705 R15 2.26212 0.00078 -0.00039 0.00130 0.00091 2.26304 R16 2.65943 -0.00030 0.00147 -0.00039 0.00108 2.66051 R17 2.55220 -0.00008 -0.00188 0.00002 -0.00186 2.55034 R18 2.53890 -0.00046 0.00153 -0.00100 0.00053 2.53942 R19 2.02518 -0.00008 -0.00067 0.00038 -0.00028 2.02489 R20 2.84555 -0.00051 -0.00093 -0.00079 -0.00173 2.84383 R21 2.23484 -0.00023 -0.00113 0.00090 -0.00023 2.23461 R22 2.49914 0.00039 -0.00159 0.00164 0.00005 2.49919 R23 2.04306 0.00018 -0.00021 0.00055 0.00035 2.04341 R24 2.68557 -0.00013 0.00226 -0.00105 0.00121 2.68677 R25 2.04312 0.00019 -0.00025 0.00059 0.00034 2.04346 A1 1.95669 -0.00039 -0.00063 -0.00232 -0.00299 1.95369 A2 1.94719 -0.00018 -0.00066 -0.00134 -0.00204 1.94516 A3 1.92559 0.00012 -0.00364 0.00487 0.00122 1.92681 A4 1.84810 0.00016 0.01381 -0.01267 0.00113 1.84923 A5 1.93532 0.00017 -0.00495 0.00615 0.00119 1.93651 A6 1.84669 0.00014 -0.00341 0.00514 0.00173 1.84842 A7 1.92459 -0.00059 0.00017 -0.00367 -0.00350 1.92110 A8 1.92288 -0.00006 0.00016 0.00009 0.00026 1.92314 A9 1.92775 -0.00006 -0.00199 0.00069 -0.00131 1.92644 A10 1.88638 0.00031 0.00018 0.00133 0.00151 1.88790 A11 1.89096 0.00028 0.00040 0.00061 0.00101 1.89197 A12 1.91049 0.00014 0.00113 0.00098 0.00212 1.91261 A13 1.90748 0.00043 0.00472 -0.00190 0.00283 1.91031 A14 2.20386 -0.00001 -0.00047 -0.00013 -0.00059 2.20327 A15 2.05375 0.00024 0.00025 0.00103 0.00128 2.05503 A16 2.02557 -0.00023 0.00021 -0.00091 -0.00070 2.02488 A17 2.05769 0.00033 -0.00079 0.00132 0.00052 2.05821 A18 2.03690 0.00012 0.00115 -0.00006 0.00109 2.03799 A19 2.18860 -0.00045 -0.00036 -0.00126 -0.00162 2.18698 A20 2.09074 -0.00001 -0.00088 0.00066 -0.00020 2.09054 A21 2.16613 -0.00100 0.00085 -0.00303 -0.00222 2.16391 A22 2.04246 0.00019 0.00215 -0.00081 0.00132 2.04379 A23 2.07459 0.00081 -0.00289 0.00383 0.00090 2.07549 A24 2.04488 0.00081 -0.00494 0.00522 0.00027 2.04515 A25 2.11551 -0.00076 0.00640 -0.00601 0.00037 2.11588 A26 2.12207 -0.00005 -0.00165 0.00104 -0.00060 2.12147 A27 2.11968 -0.00034 -0.00030 -0.00112 -0.00141 2.11826 A28 2.01656 0.00041 0.00219 0.00063 0.00281 2.01937 A29 2.14684 -0.00007 -0.00187 0.00045 -0.00142 2.14542 A30 2.00128 0.00068 0.00100 0.00160 0.00260 2.00387 A31 2.09815 0.00006 -0.00014 0.00029 0.00015 2.09830 A32 2.18353 -0.00074 -0.00085 -0.00190 -0.00275 2.18078 A33 2.12426 -0.00025 -0.00063 -0.00053 -0.00119 2.12307 A34 2.03981 -0.00012 0.00015 -0.00024 -0.00011 2.03971 A35 2.11911 0.00037 0.00048 0.00083 0.00128 2.12038 A36 1.94950 -0.00030 0.00009 -0.00170 -0.00161 1.94789 A37 1.97504 -0.00011 -0.00058 0.00014 -0.00044 1.97460 A38 1.95062 -0.00027 -0.00011 -0.00143 -0.00154 1.94908 A39 1.84665 0.00047 0.00114 0.00248 0.00363 1.85027 A40 1.89049 -0.00014 -0.00062 -0.00156 -0.00219 1.88829 A41 1.84474 0.00040 0.00014 0.00238 0.00252 1.84726 A42 2.21257 0.00005 -0.00012 0.00001 -0.00011 2.21247 D1 1.09372 0.00006 -0.00783 0.01010 0.00227 1.09600 D2 -3.10866 0.00003 -0.00739 0.00950 0.00212 -3.10654 D3 -0.99584 0.00012 -0.00717 0.01125 0.00408 -0.99176 D4 -3.11994 -0.00012 0.00881 -0.00847 0.00034 -3.11961 D5 -1.03914 -0.00014 0.00925 -0.00907 0.00018 -1.03896 D6 1.07368 -0.00005 0.00948 -0.00733 0.00214 1.07582 D7 -1.07251 0.00002 0.00181 0.00018 0.00199 -1.07052 D8 1.00829 0.00000 0.00225 -0.00042 0.00183 1.01012 D9 3.12111 0.00009 0.00248 0.00132 0.00380 3.12490 D10 -1.08136 -0.00013 0.00227 -0.00707 -0.00478 -1.08614 D11 3.07462 0.00022 -0.00549 0.00425 -0.00127 3.07336 D12 1.07945 -0.00013 -0.00668 0.00217 -0.00450 1.07494 D13 1.47886 -0.00001 -0.03251 -0.00181 -0.03433 1.44452 D14 -1.62248 -0.00009 -0.02665 -0.00877 -0.03543 -1.65791 D15 -2.67104 -0.00049 -0.02484 -0.01363 -0.03846 -2.70950 D16 0.51080 -0.00057 -0.01898 -0.02059 -0.03955 0.47125 D17 -0.61568 -0.00015 -0.02559 -0.01015 -0.03574 -0.65143 D18 2.56616 -0.00022 -0.01973 -0.01711 -0.03684 2.52932 D19 -3.13792 -0.00000 0.00008 0.00099 0.00108 -3.13684 D20 0.00666 0.00002 -0.00006 0.00214 0.00208 0.00874 D21 0.00054 0.00000 -0.00054 0.00105 0.00051 0.00105 D22 -3.13806 0.00003 -0.00068 0.00219 0.00151 -3.13656 D23 3.13583 0.00017 -0.00267 0.01155 0.00888 -3.13848 D24 -0.00175 -0.00006 0.00258 -0.00605 -0.00347 -0.00522 D25 -0.00268 0.00016 -0.00206 0.01150 0.00944 0.00676 D26 -3.14025 -0.00007 0.00319 -0.00611 -0.00291 3.14002 D27 3.13517 0.00013 0.00161 -0.00033 0.00128 3.13645 D28 -0.00969 0.00010 0.00177 -0.00159 0.00019 -0.00950 D29 3.11548 0.00004 -0.00153 0.00141 -0.00011 3.11536 D30 -0.00400 0.00001 -0.00181 0.00175 -0.00005 -0.00406 D31 -0.02288 0.00006 -0.00168 0.00265 0.00096 -0.02191 D32 3.14083 0.00004 -0.00196 0.00299 0.00102 -3.14133 D33 -3.09250 0.00016 0.01419 -0.01330 0.00090 -3.09160 D34 0.04969 -0.00024 -0.00047 -0.00093 -0.00141 0.04829 D35 3.12191 0.00017 0.00498 -0.00455 0.00040 3.12231 D36 -0.06010 0.00023 -0.00074 0.00226 0.00153 -0.05857 D37 -0.01912 -0.00021 -0.00892 0.00715 -0.00178 -0.02089 D38 3.08206 -0.00015 -0.01464 0.01397 -0.00065 3.08141 D39 3.12802 0.00003 -0.00546 0.00625 0.00077 3.12879 D40 -0.02919 0.00000 -0.00375 0.00351 -0.00025 -0.02945 D41 0.02847 -0.00007 0.00071 -0.00111 -0.00039 0.02808 D42 -3.12874 -0.00010 0.00242 -0.00384 -0.00142 -3.13016 D43 0.01232 -0.00007 0.00034 -0.00117 -0.00083 0.01149 D44 3.13056 -0.00003 0.00065 -0.00149 -0.00085 3.12971 D45 -3.11246 -0.00005 -0.00154 0.00178 0.00023 -3.11223 D46 0.00577 -0.00001 -0.00123 0.00145 0.00022 0.00599 D47 2.07919 0.00032 0.00229 0.00053 0.00282 2.08201 D48 -0.00262 -0.00001 0.00116 -0.00157 -0.00040 -0.00302 D49 -2.08277 -0.00027 0.00147 -0.00372 -0.00225 -2.08502 D50 -1.03784 0.00027 0.00195 0.00086 0.00281 -1.03503 D51 -3.11965 -0.00006 0.00083 -0.00124 -0.00041 -3.12006 D52 1.08338 -0.00032 0.00113 -0.00339 -0.00226 1.08113 D53 -0.00650 0.00007 -0.00334 0.00627 0.00293 -0.00357 D54 3.13910 -0.00016 0.00189 -0.01128 -0.00940 3.12971 D55 0.00832 -0.00003 0.00155 -0.00267 -0.00113 0.00719 D56 -2.13176 0.00008 0.00101 -0.00235 -0.00134 -2.13311 D57 2.14848 -0.00015 0.00115 -0.00273 -0.00159 2.14690 Item Value Threshold Converged? Maximum Force 0.001361 0.000450 NO RMS Force 0.000327 0.000300 NO Maximum Displacement 0.064957 0.001800 NO RMS Displacement 0.020625 0.001200 NO Predicted change in Energy=-4.918853D-05 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.965314 -5.038553 2.068639 2 6 0 7.320784 -4.749453 3.517239 3 8 0 6.620217 -6.378853 1.873091 4 7 0 2.734192 -1.980228 0.409515 5 6 0 3.785740 -2.734719 0.837697 6 7 0 4.959408 -2.211257 0.794987 7 6 0 6.037549 -2.930231 1.219742 8 8 0 7.154824 -2.500995 1.259423 9 7 0 5.802035 -4.254843 1.634556 10 6 0 4.555586 -4.770530 1.676953 11 6 0 3.487387 -4.050696 1.294063 12 1 0 7.775008 -4.750224 1.418433 13 1 0 8.196300 -5.323310 3.807978 14 1 0 7.548504 -3.699630 3.643331 15 6 0 1.412432 -2.365390 0.385401 16 1 0 2.927190 -1.057631 0.082574 17 1 0 4.483318 -5.784043 2.017159 18 6 0 2.067251 -4.548598 1.294351 19 1 0 6.498840 -5.024269 4.170022 20 1 0 7.362393 -6.929526 2.082185 21 8 0 0.562782 -1.642853 -0.007483 22 1 0 1.950067 -5.418168 0.662385 23 8 0 1.137742 -3.586173 0.813509 24 1 0 1.735136 -4.807826 2.290252 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.519335 0.000000 3 O 1.397761 2.418463 0.000000 4 N 5.477996 6.193818 6.049062 0.000000 5 C 4.114919 4.871923 4.731387 1.363213 0.000000 6 N 3.693162 4.407855 4.614049 2.270144 1.285821 7 C 2.454872 3.199180 3.558000 3.531451 2.292341 8 O 2.670196 3.190743 3.962346 4.531614 3.403411 9 N 1.468280 2.468954 2.288611 4.010768 2.647869 10 C 2.456022 3.321659 2.624477 3.565061 2.332711 11 C 3.697540 4.486168 3.945911 2.374146 1.424458 12 H 1.077732 2.147395 2.047605 5.839575 4.507081 13 H 2.149817 1.086448 2.709612 7.249854 5.914087 14 H 2.147668 1.081611 3.342709 6.049092 4.791767 15 C 6.388551 7.099352 6.741079 1.376946 2.444088 16 H 6.008214 6.688060 6.720105 0.997659 2.029764 17 H 2.592047 3.372214 2.222812 4.484749 3.343071 18 C 4.983031 5.707993 4.941080 2.797189 2.540057 19 H 2.152583 1.085008 2.669368 6.130267 4.869019 20 H 1.932262 2.610332 0.947515 6.979514 5.651337 21 O 7.538798 8.230748 7.915730 2.236678 3.506274 22 H 5.222486 6.118985 4.919251 3.535283 3.255968 23 O 6.135581 6.847875 6.243342 2.300200 2.781627 24 H 5.239953 5.719123 5.148414 3.539858 3.257709 6 7 8 9 10 6 N 0.000000 7 C 1.363718 0.000000 8 O 2.262630 1.197548 0.000000 9 N 2.364559 1.407883 2.246496 0.000000 10 C 2.736935 2.406649 3.475797 1.349581 0.000000 11 C 2.408207 2.786448 3.981566 2.348448 1.343805 12 H 3.842219 2.524009 2.338578 2.045663 3.229850 13 H 5.407445 4.133522 3.942750 3.405568 4.254602 14 H 4.126952 2.957828 2.697171 2.719116 3.737784 15 C 3.573872 4.733591 5.810109 4.939538 4.163198 16 H 2.443010 3.804486 4.619649 4.571165 4.356528 17 H 3.805938 3.346005 4.299943 2.055201 1.071527 18 C 3.751946 4.288117 5.484277 3.761734 2.527340 19 H 4.655507 3.647183 3.907533 2.739734 3.171122 20 H 5.449153 4.300393 4.509092 3.128741 3.564217 21 O 4.505260 5.756431 6.767309 6.080177 5.344359 22 H 4.399772 4.817467 5.996319 4.139577 2.870106 23 O 4.061511 4.960181 6.130394 4.782977 3.718856 24 H 4.401582 4.814781 5.979724 4.156368 2.886601 11 12 13 14 15 11 C 0.000000 12 H 4.346090 0.000000 13 H 5.487547 2.493158 0.000000 14 H 4.704782 2.470874 1.755872 0.000000 15 C 2.823360 6.872916 8.153784 7.074298 0.000000 16 H 3.277189 6.238679 7.735514 6.404350 2.023964 17 H 2.125850 3.501782 4.147956 4.047786 4.876491 18 C 1.504889 5.712665 6.669613 6.023503 2.453849 19 H 4.276428 3.045480 1.761213 1.770273 6.874922 20 H 4.891264 2.315205 2.500738 3.592219 7.688462 21 O 4.005627 7.981554 9.293767 8.146109 1.182507 22 H 2.152289 5.911658 6.994225 6.571294 3.112109 23 O 2.442856 6.765668 7.861790 7.008469 1.322514 24 H 2.153143 6.102741 6.657016 6.070764 3.114176 16 17 18 19 20 16 H 0.000000 17 H 5.338832 0.000000 18 C 3.794041 2.808230 0.000000 19 H 6.722956 3.045391 5.304218 0.000000 20 H 7.625524 3.099263 5.859012 2.955468 0.000000 21 O 2.437420 6.051383 3.521584 8.007641 8.862862 22 H 4.506132 2.895970 1.081325 5.757605 5.795974 23 O 3.182753 4.179986 1.421780 6.486577 7.178706 24 H 4.512072 2.929178 1.081351 5.125745 6.017551 21 22 23 24 21 O 0.000000 22 H 4.077534 0.000000 23 O 2.186573 2.009705 0.000000 24 H 4.083021 1.751760 2.007507 0.000000 Stoichiometry C8H9N3O4 Framework group C1[X(C8H9N3O4)] Deg. of freedom 66 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 3.017351 -0.270548 -0.204445 2 6 0 3.650776 -0.182295 1.173729 3 8 0 3.135077 -1.551086 -0.752259 4 7 0 -2.315228 0.970597 -0.026698 5 6 0 -0.987327 0.663571 -0.054339 6 7 0 -0.146621 1.633113 -0.135185 7 6 0 1.191127 1.369352 -0.159415 8 8 0 2.039608 2.214110 -0.183555 9 7 0 1.578161 0.015726 -0.153218 10 6 0 0.670028 -0.977985 -0.057303 11 6 0 -0.647019 -0.718390 0.004428 12 1 0 3.442680 0.470334 -0.861480 13 1 0 4.717744 -0.375855 1.106772 14 1 0 3.512911 0.808471 1.585141 15 6 0 -3.356337 0.073839 0.062171 16 1 0 -2.570186 1.934085 -0.071550 17 1 0 1.068530 -1.972630 -0.050420 18 6 0 -1.727832 -1.761398 0.097537 19 1 0 3.210487 -0.917113 1.839636 20 1 0 4.051697 -1.763332 -0.864263 21 8 0 -4.483439 0.431261 0.076769 22 1 0 -1.703909 -2.436082 -0.747150 23 8 0 -3.037416 -1.208308 0.120746 24 1 0 -1.639373 -2.348615 1.001235 --------------------------------------------------------------------- Rotational constants (GHZ): 1.4863660 0.3591859 0.3025196 Standard basis: 6-31G(d) (6D, 7F) There are 243 symmetry adapted cartesian basis functions of A symmetry. There are 243 symmetry adapted basis functions of A symmetry. 243 basis functions, 456 primitive gaussians, 243 cartesian basis functions 55 alpha electrons 55 beta electrons nuclear repulsion energy 1024.9174466750 Hartrees. NAtoms= 24 NActive= 24 NUniq= 24 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. One-electron integrals computed using PRISM. NBasis= 243 RedAO= T EigKep= 8.43D-04 NBF= 243 NBsUse= 243 1.00D-06 EigRej= -1.00D+00 NBFU= 243 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 0.000000 -0.000000 Rot= 0.999990 0.004435 -0.000216 0.000125 Ang= 0.51 deg. ExpMin= 1.61D-01 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn= 5 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 5 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 5 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -771.021400454 A.U. after 12 cycles NFock= 12 Conv=0.35D-08 -V/T= 2.0017 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 -0.000645577 0.000872272 -0.000290062 2 6 0.000332541 0.000128023 0.000520049 3 8 -0.000122609 0.000035021 -0.000019203 4 7 0.000090269 -0.000037196 0.000560270 5 6 0.000342776 0.000417764 -0.000128868 6 7 -0.000781551 0.000206204 0.000171135 7 6 0.000135404 -0.001330136 0.000149667 8 8 0.000268272 -0.000121838 -0.000090929 9 7 0.001219315 0.000605364 0.000437925 10 6 -0.001063553 -0.000462805 -0.000433621 11 6 0.000525465 -0.000066199 -0.000042573 12 1 0.000198997 -0.000229817 -0.000164039 13 1 -0.000025928 -0.000055650 -0.000076657 14 1 -0.000032753 -0.000104604 0.000017894 15 6 0.000474781 -0.000239045 -0.001865071 16 1 -0.000091163 0.000035080 0.000004731 17 1 -0.000012860 0.000175401 0.000022111 18 6 -0.000673376 0.000804489 -0.000134489 19 1 -0.000031377 -0.000031552 -0.000122811 20 1 0.000027746 0.000185603 -0.000003560 21 8 -0.000309218 0.000254583 0.000686147 22 1 -0.000113483 -0.000019940 -0.000060564 23 8 0.000290007 -0.000914097 0.000782919 24 1 -0.000002124 -0.000106927 0.000079597 ------------------------------------------------------------------- Cartesian Forces: Max 0.001865071 RMS 0.000472422 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.001031130 RMS 0.000231994 Search for a local minimum. Step number 7 out of a maximum of 134 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swapping is turned off. Update second derivatives using D2CorX and points 2 4 3 5 6 7 DE= -4.06D-05 DEPred=-4.92D-05 R= 8.25D-01 TightC=F SS= 1.41D+00 RLast= 9.33D-02 DXNew= 8.7710D-01 2.7990D-01 Trust test= 8.25D-01 RLast= 9.33D-02 DXMaxT set to 5.22D-01 ITU= 1 1 1 -1 1 1 0 Eigenvalues --- 0.00263 0.00348 0.01134 0.01341 0.01618 Eigenvalues --- 0.01633 0.01762 0.01844 0.01881 0.01912 Eigenvalues --- 0.02115 0.02534 0.02563 0.03097 0.05163 Eigenvalues --- 0.05359 0.05548 0.05652 0.06899 0.07441 Eigenvalues --- 0.08424 0.08598 0.12313 0.12557 0.15736 Eigenvalues --- 0.15975 0.16002 0.16082 0.16183 0.16370 Eigenvalues --- 0.18691 0.22047 0.23067 0.23401 0.23752 Eigenvalues --- 0.24457 0.24988 0.25015 0.25133 0.26153 Eigenvalues --- 0.29002 0.29449 0.32542 0.33659 0.33752 Eigenvalues --- 0.33769 0.33812 0.33828 0.34095 0.35426 Eigenvalues --- 0.38330 0.39206 0.42348 0.44274 0.44951 Eigenvalues --- 0.46149 0.47128 0.47686 0.48882 0.49839 Eigenvalues --- 0.50561 0.52476 0.57844 0.71820 0.88270 Eigenvalues --- 0.92140 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 7 6 5 RFO step: Lambda=-5.59750159D-05. DidBck=F Rises=F RFO-DIIS coefs: 0.91691 0.52183 -0.43874 Iteration 1 RMS(Cart)= 0.00606134 RMS(Int)= 0.00001828 Iteration 2 RMS(Cart)= 0.00002133 RMS(Int)= 0.00000657 Iteration 3 RMS(Cart)= 0.00000000 RMS(Int)= 0.00000657 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87113 0.00037 -0.00051 0.00124 0.00073 2.87186 R2 2.64139 -0.00018 0.00086 -0.00052 0.00034 2.64172 R3 2.77465 -0.00070 0.00269 -0.00368 -0.00100 2.77365 R4 2.03662 0.00019 -0.00005 0.00048 0.00043 2.03705 R5 2.05309 -0.00001 0.00006 -0.00006 -0.00000 2.05309 R6 2.04395 -0.00011 -0.00024 -0.00005 -0.00029 2.04365 R7 2.05037 -0.00004 -0.00021 0.00031 0.00010 2.05046 R8 1.79054 -0.00009 -0.00010 0.00012 0.00002 1.79056 R9 2.57610 -0.00002 -0.00018 0.00025 0.00007 2.57617 R10 2.60205 0.00013 -0.00056 0.00031 -0.00025 2.60180 R11 1.88530 0.00001 -0.00005 -0.00006 -0.00011 1.88519 R12 2.42985 -0.00029 0.00054 -0.00047 0.00006 2.42991 R13 2.69184 0.00007 -0.00113 0.00063 -0.00051 2.69132 R14 2.57705 0.00065 -0.00147 0.00165 0.00019 2.57724 R15 2.26304 0.00020 -0.00028 0.00087 0.00060 2.26363 R16 2.66051 -0.00103 0.00067 -0.00157 -0.00089 2.65962 R17 2.55034 0.00083 -0.00082 0.00140 0.00058 2.55092 R18 2.53942 -0.00030 0.00075 -0.00092 -0.00017 2.53926 R19 2.02489 -0.00016 -0.00032 -0.00001 -0.00034 2.02456 R20 2.84383 0.00026 -0.00034 0.00028 -0.00006 2.84377 R21 2.23461 0.00015 -0.00057 0.00093 0.00036 2.23498 R22 2.49919 0.00040 -0.00083 0.00146 0.00063 2.49981 R23 2.04341 0.00006 -0.00014 0.00043 0.00029 2.04370 R24 2.68677 -0.00092 0.00107 -0.00175 -0.00068 2.68610 R25 2.04346 0.00010 -0.00016 0.00049 0.00033 2.04379 A1 1.95369 -0.00010 -0.00008 -0.00124 -0.00133 1.95236 A2 1.94516 0.00038 -0.00018 0.00071 0.00053 1.94568 A3 1.92681 -0.00003 -0.00199 0.00234 0.00033 1.92714 A4 1.84923 -0.00024 0.00708 -0.00717 -0.00008 1.84915 A5 1.93651 -0.00002 -0.00267 0.00198 -0.00070 1.93581 A6 1.84842 0.00002 -0.00192 0.00330 0.00138 1.84980 A7 1.92110 -0.00011 0.00038 -0.00148 -0.00110 1.91999 A8 1.92314 0.00010 0.00006 0.00038 0.00044 1.92358 A9 1.92644 -0.00018 -0.00093 -0.00019 -0.00112 1.92532 A10 1.88790 0.00004 -0.00003 0.00076 0.00073 1.88862 A11 1.89197 0.00010 0.00013 0.00027 0.00039 1.89237 A12 1.91261 0.00005 0.00041 0.00029 0.00070 1.91331 A13 1.91031 -0.00030 0.00222 -0.00252 -0.00030 1.91000 A14 2.20327 0.00002 -0.00019 -0.00031 -0.00050 2.20277 A15 2.05503 0.00007 0.00003 0.00062 0.00065 2.05568 A16 2.02488 -0.00010 0.00017 -0.00031 -0.00014 2.02473 A17 2.05821 0.00027 -0.00046 0.00118 0.00073 2.05894 A18 2.03799 -0.00020 0.00051 -0.00036 0.00015 2.03814 A19 2.18698 -0.00007 -0.00005 -0.00082 -0.00088 2.18610 A20 2.09054 0.00000 -0.00044 0.00043 -0.00000 2.09053 A21 2.16391 0.00014 0.00063 -0.00108 -0.00048 2.16343 A22 2.04379 0.00009 0.00101 -0.00018 0.00082 2.04460 A23 2.07549 -0.00023 -0.00158 0.00127 -0.00033 2.07515 A24 2.04515 -0.00030 -0.00259 0.00212 -0.00047 2.04468 A25 2.11588 0.00034 0.00329 -0.00234 0.00094 2.11682 A26 2.12147 -0.00003 -0.00081 0.00043 -0.00037 2.12110 A27 2.11826 -0.00006 -0.00004 -0.00052 -0.00055 2.11771 A28 2.01937 0.00005 0.00090 0.00033 0.00123 2.02061 A29 2.14542 0.00002 -0.00085 0.00019 -0.00066 2.14476 A30 2.00387 0.00009 0.00030 0.00089 0.00119 2.00507 A31 2.09830 0.00005 -0.00008 0.00024 0.00015 2.09845 A32 2.18078 -0.00014 -0.00022 -0.00108 -0.00129 2.17949 A33 2.12307 0.00017 -0.00023 0.00008 -0.00018 2.12289 A34 2.03971 0.00002 0.00009 0.00048 0.00055 2.04026 A35 2.12038 -0.00018 0.00014 -0.00048 -0.00037 2.12002 A36 1.94789 0.00009 0.00018 -0.00030 -0.00012 1.94777 A37 1.97460 0.00015 -0.00027 0.00046 0.00019 1.97479 A38 1.94908 -0.00009 0.00007 -0.00067 -0.00060 1.94848 A39 1.85027 -0.00017 0.00029 0.00027 0.00056 1.85083 A40 1.88829 -0.00003 -0.00014 -0.00086 -0.00101 1.88729 A41 1.84726 0.00003 -0.00014 0.00117 0.00103 1.84829 A42 2.21247 -0.00005 -0.00005 -0.00050 -0.00055 2.21192 D1 1.09600 -0.00004 -0.00426 0.00373 -0.00052 1.09548 D2 -3.10654 0.00001 -0.00402 0.00398 -0.00004 -3.10658 D3 -0.99176 0.00001 -0.00406 0.00446 0.00040 -0.99137 D4 -3.11961 -0.00015 0.00455 -0.00571 -0.00116 -3.12076 D5 -1.03896 -0.00011 0.00479 -0.00546 -0.00067 -1.03964 D6 1.07582 -0.00010 0.00474 -0.00498 -0.00024 1.07558 D7 -1.07052 0.00008 0.00078 0.00033 0.00111 -1.06941 D8 1.01012 0.00013 0.00102 0.00057 0.00159 1.01171 D9 3.12490 0.00014 0.00097 0.00105 0.00202 3.12693 D10 -1.08614 0.00012 0.00158 -0.00269 -0.00112 -1.08726 D11 3.07336 -0.00014 -0.00275 0.00182 -0.00093 3.07242 D12 1.07494 -0.00002 -0.00310 0.00092 -0.00217 1.07277 D13 1.44452 0.00010 -0.01404 0.00584 -0.00821 1.43632 D14 -1.65791 -0.00000 -0.01090 -0.00025 -0.01115 -1.66906 D15 -2.70950 0.00005 -0.00971 0.00013 -0.00958 -2.71908 D16 0.47125 -0.00005 -0.00658 -0.00596 -0.01253 0.45872 D17 -0.65143 -0.00008 -0.01033 0.00056 -0.00977 -0.66119 D18 2.52932 -0.00018 -0.00719 -0.00552 -0.01271 2.51661 D19 -3.13684 -0.00015 -0.00005 -0.00287 -0.00292 -3.13976 D20 0.00874 -0.00015 -0.00020 -0.00260 -0.00281 0.00593 D21 0.00105 -0.00012 -0.00032 -0.00213 -0.00245 -0.00140 D22 -3.13656 -0.00012 -0.00048 -0.00186 -0.00234 -3.13890 D23 -3.13848 -0.00047 -0.00213 -0.00675 -0.00887 3.13583 D24 -0.00522 0.00032 0.00163 0.00500 0.00662 0.00140 D25 0.00676 -0.00049 -0.00185 -0.00748 -0.00933 -0.00257 D26 3.14002 0.00030 0.00190 0.00426 0.00617 -3.13700 D27 3.13645 0.00007 0.00073 0.00053 0.00126 3.13771 D28 -0.00950 0.00008 0.00091 0.00024 0.00114 -0.00836 D29 3.11536 0.00002 -0.00078 0.00163 0.00085 3.11621 D30 -0.00406 -0.00007 -0.00093 -0.00070 -0.00164 -0.00569 D31 -0.02191 0.00002 -0.00095 0.00192 0.00097 -0.02095 D32 -3.14133 -0.00007 -0.00111 -0.00041 -0.00152 3.14033 D33 -3.09160 -0.00013 0.00730 -0.01101 -0.00371 -3.09532 D34 0.04829 -0.00016 -0.00013 -0.00354 -0.00368 0.04461 D35 3.12231 0.00008 0.00255 -0.00114 0.00141 3.12372 D36 -0.05857 0.00019 -0.00051 0.00490 0.00439 -0.05418 D37 -0.02089 0.00004 -0.00449 0.00594 0.00144 -0.01945 D38 3.08141 0.00015 -0.00755 0.01197 0.00443 3.08583 D39 3.12879 -0.00000 -0.00290 0.00358 0.00067 3.12947 D40 -0.02945 0.00008 -0.00193 0.00409 0.00216 -0.02729 D41 0.02808 -0.00010 0.00040 -0.00281 -0.00240 0.02568 D42 -3.13016 -0.00002 0.00137 -0.00230 -0.00092 -3.13108 D43 0.01149 0.00001 0.00025 -0.00052 -0.00028 0.01122 D44 3.12971 0.00010 0.00041 0.00196 0.00237 3.13208 D45 -3.11223 -0.00008 -0.00082 -0.00107 -0.00189 -3.11411 D46 0.00599 0.00001 -0.00066 0.00141 0.00076 0.00675 D47 2.08201 0.00005 0.00096 0.00180 0.00275 2.08477 D48 -0.00302 0.00009 0.00064 0.00135 0.00199 -0.00104 D49 -2.08502 0.00001 0.00095 0.00000 0.00095 -2.08407 D50 -1.03503 -0.00005 0.00078 -0.00081 -0.00003 -1.03506 D51 -3.12006 -0.00001 0.00046 -0.00126 -0.00080 -3.12086 D52 1.08113 -0.00009 0.00078 -0.00261 -0.00183 1.07929 D53 -0.00357 -0.00029 -0.00198 -0.00418 -0.00616 -0.00973 D54 3.12971 0.00050 0.00176 0.00755 0.00931 3.13902 D55 0.00719 0.00010 0.00090 0.00121 0.00210 0.00930 D56 -2.13311 0.00000 0.00064 0.00112 0.00176 -2.13135 D57 2.14690 0.00010 0.00073 0.00145 0.00218 2.14908 Item Value Threshold Converged? Maximum Force 0.001031 0.000450 NO RMS Force 0.000232 0.000300 YES Maximum Displacement 0.020174 0.001800 NO RMS Displacement 0.006060 0.001200 NO Predicted change in Energy=-2.354065D-05 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.963755 -5.039809 2.069414 2 6 0 7.326363 -4.744494 3.515396 3 8 0 6.614340 -6.380586 1.883767 4 7 0 2.733685 -1.978620 0.412061 5 6 0 3.785051 -2.733946 0.839331 6 7 0 4.958844 -2.210365 0.800700 7 6 0 6.036427 -2.931477 1.223557 8 8 0 7.154360 -2.503066 1.263151 9 7 0 5.800732 -4.256238 1.636182 10 6 0 4.554110 -4.772684 1.673814 11 6 0 3.487087 -4.051528 1.290446 12 1 0 7.772060 -4.758515 1.414041 13 1 0 8.201258 -5.320239 3.804263 14 1 0 7.557631 -3.694935 3.635761 15 6 0 1.412916 -2.366263 0.381710 16 1 0 2.925707 -1.053972 0.090561 17 1 0 4.479965 -5.786645 2.011710 18 6 0 2.067198 -4.550032 1.288704 19 1 0 6.505943 -5.014533 4.172162 20 1 0 7.356548 -6.931560 2.091987 21 8 0 0.561902 -1.639823 -0.001481 22 1 0 1.951126 -5.418962 0.655392 23 8 0 1.137653 -3.587467 0.809271 24 1 0 1.735339 -4.812243 2.284100 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.519723 0.000000 3 O 1.397941 2.417848 0.000000 4 N 5.478248 6.194630 6.050017 0.000000 5 C 4.115127 4.872834 4.732198 1.363249 0.000000 6 N 3.692568 4.404149 4.615674 2.270700 1.285854 7 C 2.453666 3.194290 3.558962 3.531936 2.292454 8 O 2.668606 3.182167 3.963830 4.532303 3.403700 9 N 1.467753 2.469289 2.288255 4.011582 2.648643 10 C 2.456470 3.328304 2.621827 3.565496 2.333295 11 C 3.697393 4.491174 3.944141 2.374052 1.424187 12 H 1.077960 2.148147 2.047455 5.840976 4.508371 13 H 2.149362 1.086448 2.707573 7.250367 5.914611 14 H 2.148213 1.081455 3.342455 6.050491 4.793316 15 C 6.388115 7.102452 6.739864 1.376815 2.443692 16 H 6.009043 6.686944 6.722679 0.997601 2.030134 17 H 2.594284 3.383657 2.219164 4.484354 3.343104 18 C 4.982535 5.714437 4.937765 2.797297 2.539906 19 H 2.152157 1.085058 2.667321 6.130666 4.869506 20 H 1.932231 2.609648 0.947524 6.980303 5.651964 21 O 7.538716 8.231970 7.915869 2.236613 3.506103 22 H 5.222037 6.125986 4.917234 3.536603 3.256751 23 O 6.135203 6.852879 6.241005 2.300757 2.781747 24 H 5.237768 5.725402 5.140488 3.539865 3.256991 6 7 8 9 10 6 N 0.000000 7 C 1.363817 0.000000 8 O 2.262703 1.197864 0.000000 9 N 2.364826 1.407410 2.246124 0.000000 10 C 2.737082 2.406250 3.475789 1.349888 0.000000 11 C 2.407447 2.785341 3.980876 2.348274 1.343716 12 H 3.844924 2.527206 2.343367 2.046403 3.228449 13 H 5.404254 4.129494 3.935697 3.405173 4.259146 14 H 4.122526 2.952229 2.685602 2.720307 3.745920 15 C 3.573998 4.733395 5.810321 4.939497 4.162630 16 H 2.444420 3.805955 4.621293 4.572660 4.357431 17 H 3.806002 3.346004 4.300538 2.056111 1.071349 18 C 3.751507 4.287044 5.483606 3.761160 2.526383 19 H 4.650121 3.640582 3.897468 2.739257 3.179604 20 H 5.450330 4.300878 4.509924 3.128206 3.562201 21 O 4.505786 5.756693 6.767938 6.080534 5.344076 22 H 4.400293 4.816646 5.995454 4.139244 2.868865 23 O 4.061771 4.959833 6.130472 4.782817 3.718111 24 H 4.400139 4.812628 5.978330 4.154077 2.884351 11 12 13 14 15 11 C 0.000000 12 H 4.344663 0.000000 13 H 5.491112 2.492571 0.000000 14 H 4.711368 2.472494 1.756207 0.000000 15 C 2.822783 6.872211 8.156067 7.078965 0.000000 16 H 3.277227 6.241985 7.734602 6.402957 2.023712 17 H 2.125243 3.500307 4.156778 4.060151 4.874700 18 C 1.504857 5.710045 6.674425 6.031975 2.453482 19 H 4.283125 3.045625 1.761504 1.770624 6.878938 20 H 4.889763 2.313955 2.498356 3.591576 7.687246 21 O 4.005260 7.982250 9.294564 8.148205 1.182698 22 H 2.152289 5.907200 6.999235 6.579344 3.111839 23 O 2.442687 6.764055 7.865557 7.015462 1.322844 24 H 2.152825 6.099335 6.661611 6.080662 3.115423 16 17 18 19 20 16 H 0.000000 17 H 5.338982 0.000000 18 C 3.794077 2.805956 0.000000 19 H 6.720387 3.060767 5.313431 0.000000 20 H 7.627851 3.097096 5.856121 2.953921 0.000000 21 O 2.437060 6.049817 3.521337 8.008719 8.862974 22 H 4.507991 2.893064 1.081478 5.768674 5.793992 23 O 3.183124 4.177713 1.421422 6.493388 7.176557 24 H 4.511451 2.925171 1.081526 5.134624 6.010524 21 22 23 24 21 O 0.000000 22 H 4.079622 0.000000 23 O 2.186807 2.009923 0.000000 24 H 4.082289 1.751388 2.008090 0.000000 Stoichiometry C8H9N3O4 Framework group C1[X(C8H9N3O4)] Deg. of freedom 66 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 3.016709 -0.272245 -0.205366 2 6 0 3.654042 -0.171048 1.170542 3 8 0 3.133520 -1.558695 -0.739819 4 7 0 -2.315457 0.971616 -0.026467 5 6 0 -0.987675 0.663989 -0.054892 6 7 0 -0.145812 1.632634 -0.134972 7 6 0 1.191663 1.367190 -0.161374 8 8 0 2.040931 2.211509 -0.188679 9 7 0 1.578045 0.013878 -0.153628 10 6 0 0.668749 -0.979332 -0.059217 11 6 0 -0.647860 -0.717889 0.002106 12 1 0 3.441495 0.461182 -0.871428 13 1 0 4.720576 -0.366240 1.101446 14 1 0 3.517854 0.823368 1.573201 15 6 0 -3.356518 0.074632 0.058560 16 1 0 -2.570513 1.935167 -0.068000 17 1 0 1.065145 -1.974622 -0.051694 18 6 0 -1.728720 -1.760691 0.096443 19 1 0 3.214883 -0.900056 1.843623 20 1 0 4.049990 -1.771253 -0.852533 21 8 0 -4.483421 0.432768 0.083146 22 1 0 -1.704741 -2.436392 -0.747623 23 8 0 -3.038003 -1.207821 0.120026 24 1 0 -1.638693 -2.347786 1.000274 --------------------------------------------------------------------- Rotational constants (GHZ): 1.4875035 0.3591893 0.3024341 Standard basis: 6-31G(d) (6D, 7F) There are 243 symmetry adapted cartesian basis functions of A symmetry. There are 243 symmetry adapted basis functions of A symmetry. 243 basis functions, 456 primitive gaussians, 243 cartesian basis functions 55 alpha electrons 55 beta electrons nuclear repulsion energy 1024.9505452639 Hartrees. NAtoms= 24 NActive= 24 NUniq= 24 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. One-electron integrals computed using PRISM. NBasis= 243 RedAO= T EigKep= 8.43D-04 NBF= 243 NBsUse= 243 1.00D-06 EigRej= -1.00D+00 NBFU= 243 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 0.000000 0.000000 Rot= 0.999999 0.001169 -0.000070 0.000096 Ang= 0.13 deg. ExpMin= 1.61D-01 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn= 5 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 5 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 5 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -771.021413527 A.U. after 11 cycles NFock= 11 Conv=0.39D-08 -V/T= 2.0017 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 -0.000278611 0.000433374 0.000040762 2 6 0.000189514 0.000021518 0.000213719 3 8 -0.000052695 0.000070109 -0.000106086 4 7 0.000252525 -0.000463271 0.000008236 5 6 0.000683502 0.000388277 -0.000270426 6 7 -0.000857002 0.000207901 0.000102671 7 6 0.000608571 -0.000842444 0.000109773 8 8 -0.000130828 -0.000267086 -0.000096459 9 7 0.000679985 0.000484510 0.000281576 10 6 -0.000867276 -0.000071256 -0.000367767 11 6 0.000219543 -0.000294989 0.000049244 12 1 0.000067888 -0.000134241 -0.000089267 13 1 -0.000022159 -0.000002942 -0.000002392 14 1 -0.000008511 -0.000071076 0.000060380 15 6 -0.000428624 0.000882491 0.000802723 16 1 -0.000037822 0.000063011 -0.000052157 17 1 0.000122309 0.000092913 0.000035636 18 6 -0.000556996 0.000374728 -0.000219988 19 1 0.000044432 0.000006914 -0.000102612 20 1 0.000003857 0.000187951 -0.000012239 21 8 0.000114238 -0.000420709 -0.000326784 22 1 -0.000090001 0.000068778 -0.000064427 23 8 0.000445010 -0.000795023 0.000033262 24 1 -0.000100850 0.000080563 -0.000027376 ------------------------------------------------------------------- Cartesian Forces: Max 0.000882491 RMS 0.000343825 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000776700 RMS 0.000181985 Search for a local minimum. Step number 8 out of a maximum of 134 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swapping is turned off. Update second derivatives using D2CorX and points 2 4 3 5 6 7 8 DE= -1.31D-05 DEPred=-2.35D-05 R= 5.55D-01 TightC=F SS= 1.41D+00 RLast= 3.57D-02 DXNew= 8.7710D-01 1.0698D-01 Trust test= 5.55D-01 RLast= 3.57D-02 DXMaxT set to 5.22D-01 ITU= 1 1 1 1 -1 1 1 0 Eigenvalues --- 0.00264 0.00330 0.01133 0.01342 0.01574 Eigenvalues --- 0.01620 0.01768 0.01833 0.01879 0.01908 Eigenvalues --- 0.02119 0.02543 0.02558 0.05003 0.05321 Eigenvalues --- 0.05555 0.05647 0.06823 0.07257 0.07499 Eigenvalues --- 0.08554 0.08620 0.12372 0.12820 0.15551 Eigenvalues --- 0.15989 0.16005 0.16089 0.16208 0.16425 Eigenvalues --- 0.18576 0.22144 0.22835 0.23661 0.23782 Eigenvalues --- 0.24551 0.24983 0.25022 0.25293 0.26331 Eigenvalues --- 0.29047 0.29392 0.32704 0.33671 0.33702 Eigenvalues --- 0.33798 0.33813 0.33825 0.34068 0.35596 Eigenvalues --- 0.37759 0.38731 0.42578 0.44296 0.44896 Eigenvalues --- 0.45940 0.47001 0.47820 0.48871 0.50045 Eigenvalues --- 0.50722 0.51983 0.57823 0.71938 0.88464 Eigenvalues --- 0.92533 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 8 7 6 5 RFO step: Lambda=-2.01869050D-05. DidBck=F Rises=F RFO-DIIS coefs: 1.01520 0.07113 -0.11113 0.02481 Iteration 1 RMS(Cart)= 0.00299672 RMS(Int)= 0.00000433 Iteration 2 RMS(Cart)= 0.00000601 RMS(Int)= 0.00000191 Iteration 3 RMS(Cart)= 0.00000000 RMS(Int)= 0.00000191 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87186 0.00020 0.00002 0.00078 0.00080 2.87266 R2 2.64172 -0.00022 0.00007 0.00007 0.00014 2.64187 R3 2.77365 -0.00032 -0.00019 -0.00103 -0.00122 2.77243 R4 2.03705 0.00007 0.00002 0.00029 0.00031 2.03736 R5 2.05309 -0.00002 -0.00003 -0.00003 -0.00006 2.05303 R6 2.04365 -0.00006 -0.00007 -0.00014 -0.00022 2.04344 R7 2.05046 -0.00010 0.00004 -0.00016 -0.00013 2.05034 R8 1.79056 -0.00011 -0.00006 -0.00008 -0.00013 1.79043 R9 2.57617 -0.00007 0.00001 0.00001 0.00002 2.57619 R10 2.60180 0.00022 -0.00011 0.00025 0.00014 2.60195 R11 1.88519 0.00007 -0.00003 0.00006 0.00004 1.88523 R12 2.42991 -0.00037 0.00006 -0.00056 -0.00050 2.42941 R13 2.69132 0.00018 -0.00015 0.00042 0.00027 2.69159 R14 2.57724 0.00055 -0.00009 0.00126 0.00117 2.57841 R15 2.26363 -0.00022 0.00010 0.00003 0.00013 2.26377 R16 2.65962 -0.00077 0.00004 -0.00181 -0.00177 2.65785 R17 2.55092 0.00062 -0.00010 0.00156 0.00146 2.55238 R18 2.53926 -0.00023 -0.00000 -0.00052 -0.00052 2.53874 R19 2.02456 -0.00009 -0.00001 -0.00036 -0.00037 2.02418 R20 2.84377 0.00031 -0.00012 0.00063 0.00051 2.84428 R21 2.23498 -0.00023 0.00002 -0.00003 -0.00001 2.23497 R22 2.49981 0.00011 0.00006 0.00050 0.00056 2.50038 R23 2.04370 -0.00001 0.00004 0.00012 0.00016 2.04385 R24 2.68610 -0.00078 0.00003 -0.00173 -0.00171 2.68439 R25 2.04379 -0.00001 0.00004 0.00013 0.00018 2.04396 A1 1.95236 -0.00001 -0.00026 -0.00065 -0.00091 1.95144 A2 1.94568 0.00033 -0.00015 0.00171 0.00156 1.94725 A3 1.92714 -0.00004 0.00022 -0.00016 0.00006 1.92720 A4 1.84915 -0.00021 -0.00031 0.00063 0.00032 1.84947 A5 1.93581 -0.00004 0.00024 -0.00194 -0.00171 1.93411 A6 1.84980 -0.00004 0.00027 0.00050 0.00077 1.85058 A7 1.91999 -0.00001 -0.00032 -0.00033 -0.00066 1.91934 A8 1.92358 0.00012 0.00002 0.00067 0.00069 1.92427 A9 1.92532 -0.00010 -0.00007 -0.00086 -0.00093 1.92439 A10 1.88862 -0.00003 0.00014 0.00032 0.00045 1.88908 A11 1.89237 0.00003 0.00008 0.00014 0.00022 1.89259 A12 1.91331 -0.00001 0.00016 0.00009 0.00025 1.91356 A13 1.91000 -0.00027 0.00010 -0.00085 -0.00075 1.90925 A14 2.20277 0.00015 -0.00004 0.00040 0.00035 2.20312 A15 2.05568 -0.00002 0.00011 0.00024 0.00035 2.05603 A16 2.02473 -0.00013 -0.00007 -0.00063 -0.00070 2.02403 A17 2.05894 0.00011 0.00008 0.00066 0.00074 2.05968 A18 2.03814 -0.00025 0.00006 -0.00066 -0.00060 2.03754 A19 2.18610 0.00014 -0.00014 0.00001 -0.00014 2.18596 A20 2.09053 -0.00004 0.00001 -0.00008 -0.00008 2.09045 A21 2.16343 0.00019 -0.00022 0.00013 -0.00009 2.16333 A22 2.04460 -0.00002 0.00006 0.00040 0.00046 2.04506 A23 2.07515 -0.00017 0.00016 -0.00053 -0.00037 2.07478 A24 2.04468 -0.00034 0.00016 -0.00104 -0.00088 2.04380 A25 2.11682 0.00030 -0.00014 0.00119 0.00105 2.11787 A26 2.12110 0.00004 -0.00001 0.00003 0.00001 2.12111 A27 2.11771 0.00003 -0.00012 -0.00006 -0.00019 2.11752 A28 2.02061 -0.00014 0.00020 -0.00019 0.00001 2.02062 A29 2.14476 0.00011 -0.00008 0.00027 0.00020 2.14496 A30 2.00507 -0.00015 0.00021 0.00011 0.00032 2.00539 A31 2.09845 -0.00000 0.00002 0.00002 0.00004 2.09849 A32 2.17949 0.00015 -0.00023 -0.00009 -0.00033 2.17916 A33 2.12289 0.00022 -0.00009 0.00059 0.00050 2.12339 A34 2.04026 -0.00007 -0.00001 -0.00007 -0.00008 2.04018 A35 2.12002 -0.00014 0.00009 -0.00049 -0.00040 2.11961 A36 1.94777 0.00001 -0.00014 0.00005 -0.00009 1.94767 A37 1.97479 0.00013 -0.00002 0.00042 0.00040 1.97519 A38 1.94848 0.00009 -0.00014 0.00017 0.00003 1.94851 A39 1.85083 -0.00011 0.00029 -0.00046 -0.00017 1.85066 A40 1.88729 0.00003 -0.00019 -0.00008 -0.00026 1.88702 A41 1.84829 -0.00016 0.00023 -0.00016 0.00007 1.84836 A42 2.21192 0.00005 -0.00001 -0.00009 -0.00010 2.21182 D1 1.09548 -0.00003 0.00042 -0.00248 -0.00207 1.09341 D2 -3.10658 0.00000 0.00040 -0.00188 -0.00148 -3.10807 D3 -0.99137 0.00000 0.00057 -0.00190 -0.00133 -0.99270 D4 -3.12076 -0.00009 -0.00025 -0.00097 -0.00122 -3.12198 D5 -1.03964 -0.00005 -0.00027 -0.00037 -0.00064 -1.04027 D6 1.07558 -0.00005 -0.00010 -0.00039 -0.00049 1.07509 D7 -1.06941 0.00005 0.00014 0.00062 0.00076 -1.06866 D8 1.01171 0.00008 0.00012 0.00122 0.00134 1.01305 D9 3.12693 0.00008 0.00029 0.00121 0.00149 3.12842 D10 -1.08726 0.00010 -0.00050 0.00075 0.00025 -1.08701 D11 3.07242 -0.00016 0.00004 -0.00138 -0.00134 3.07108 D12 1.07277 0.00002 -0.00023 -0.00137 -0.00160 1.07117 D13 1.43632 0.00010 -0.00213 0.00425 0.00212 1.43844 D14 -1.66906 -0.00001 -0.00244 -0.00150 -0.00394 -1.67300 D15 -2.71908 0.00014 -0.00274 0.00486 0.00212 -2.71696 D16 0.45872 0.00004 -0.00305 -0.00089 -0.00394 0.45478 D17 -0.66119 -0.00002 -0.00248 0.00317 0.00069 -0.66050 D18 2.51661 -0.00013 -0.00279 -0.00258 -0.00537 2.51124 D19 -3.13976 0.00005 0.00005 0.00003 0.00008 -3.13968 D20 0.00593 0.00005 0.00014 -0.00059 -0.00045 0.00549 D21 -0.00140 0.00007 0.00002 0.00096 0.00098 -0.00042 D22 -3.13890 0.00007 0.00011 0.00034 0.00046 -3.13844 D23 3.13583 0.00031 0.00071 0.00389 0.00460 3.14043 D24 0.00140 -0.00016 -0.00027 -0.00110 -0.00138 0.00003 D25 -0.00257 0.00029 0.00073 0.00297 0.00371 0.00114 D26 -3.13700 -0.00018 -0.00025 -0.00202 -0.00227 -3.13927 D27 3.13771 0.00002 0.00008 0.00087 0.00095 3.13866 D28 -0.00836 0.00002 -0.00002 0.00154 0.00152 -0.00684 D29 3.11621 0.00005 0.00005 0.00338 0.00342 3.11964 D30 -0.00569 0.00005 0.00002 0.00130 0.00132 -0.00438 D31 -0.02095 0.00005 0.00015 0.00270 0.00285 -0.01809 D32 3.14033 0.00004 0.00012 0.00062 0.00075 3.14108 D33 -3.09532 -0.00011 -0.00040 -0.00483 -0.00522 -3.10054 D34 0.04461 -0.00012 -0.00016 -0.00712 -0.00728 0.03732 D35 3.12372 0.00005 -0.00009 0.00315 0.00307 3.12679 D36 -0.05418 0.00016 0.00022 0.00894 0.00916 -0.04501 D37 -0.01945 0.00004 0.00013 0.00098 0.00112 -0.01833 D38 3.08583 0.00015 0.00044 0.00677 0.00721 3.09305 D39 3.12947 0.00001 0.00024 0.00109 0.00134 3.13080 D40 -0.02729 0.00005 0.00012 0.00283 0.00295 -0.02434 D41 0.02568 -0.00009 -0.00009 -0.00489 -0.00498 0.02070 D42 -3.13108 -0.00005 -0.00021 -0.00316 -0.00337 -3.13445 D43 0.01122 -0.00001 -0.00009 -0.00088 -0.00096 0.01025 D44 3.13208 -0.00000 -0.00006 0.00131 0.00126 3.13334 D45 -3.11411 -0.00005 0.00004 -0.00273 -0.00269 -3.11681 D46 0.00675 -0.00004 0.00007 -0.00054 -0.00047 0.00628 D47 2.08477 -0.00008 0.00022 -0.00066 -0.00044 2.08432 D48 -0.00104 -0.00003 -0.00004 -0.00040 -0.00044 -0.00147 D49 -2.08407 0.00003 -0.00022 -0.00060 -0.00083 -2.08489 D50 -1.03506 -0.00008 0.00018 -0.00296 -0.00278 -1.03784 D51 -3.12086 -0.00004 -0.00007 -0.00270 -0.00277 -3.12363 D52 1.07929 0.00002 -0.00026 -0.00291 -0.00316 1.07613 D53 -0.00973 0.00018 0.00026 0.00219 0.00245 -0.00728 D54 3.13902 -0.00029 -0.00072 -0.00279 -0.00352 3.13550 D55 0.00930 -0.00009 -0.00011 -0.00145 -0.00156 0.00774 D56 -2.13135 -0.00010 -0.00012 -0.00145 -0.00157 -2.13292 D57 2.14908 -0.00001 -0.00014 -0.00109 -0.00123 2.14785 Item Value Threshold Converged? Maximum Force 0.000777 0.000450 NO RMS Force 0.000182 0.000300 YES Maximum Displacement 0.012025 0.001800 NO RMS Displacement 0.002996 0.001200 NO Predicted change in Energy=-1.007086D-05 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.962914 -5.038901 2.071137 2 6 0 7.328974 -4.743047 3.516582 3 8 0 6.613648 -6.380121 1.887873 4 7 0 2.733038 -1.977375 0.414927 5 6 0 3.784886 -2.733496 0.839631 6 7 0 4.958659 -2.210463 0.801799 7 6 0 6.036663 -2.933937 1.221537 8 8 0 7.155688 -2.507810 1.256788 9 7 0 5.799963 -4.256242 1.638248 10 6 0 4.552656 -4.773245 1.673200 11 6 0 3.486599 -4.052004 1.288270 12 1 0 7.770775 -4.760110 1.413880 13 1 0 8.203480 -5.320304 3.803480 14 1 0 7.561765 -3.693898 3.636553 15 6 0 1.412130 -2.364807 0.384468 16 1 0 2.924395 -1.052141 0.094653 17 1 0 4.477894 -5.786743 2.011723 18 6 0 2.066437 -4.550542 1.285033 19 1 0 6.509196 -5.012214 4.174398 20 1 0 7.356919 -6.929903 2.095139 21 8 0 0.561135 -1.639372 -0.000648 22 1 0 1.950593 -5.418117 0.649685 23 8 0 1.137223 -3.587861 0.807872 24 1 0 1.734369 -4.815347 2.279773 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.520145 0.000000 3 O 1.398015 2.417519 0.000000 4 N 5.477940 6.196114 6.050858 0.000000 5 C 4.114774 4.874928 4.732714 1.363259 0.000000 6 N 3.691655 4.404818 4.615691 2.270988 1.285589 7 C 2.451659 3.195337 3.557120 3.532643 2.292712 8 O 2.665848 3.183235 3.960666 4.533202 3.404007 9 N 1.467107 2.470424 2.288069 4.011954 2.648977 10 C 2.457289 3.332703 2.622179 3.565270 2.333428 11 C 3.697515 4.495193 3.944375 2.373746 1.424330 12 H 1.078124 2.148683 2.046473 5.841260 4.508242 13 H 2.149234 1.086415 2.705610 7.251428 5.916076 14 H 2.148996 1.081341 3.342544 6.053258 4.796870 15 C 6.388022 7.104590 6.740828 1.376891 2.443987 16 H 6.009191 6.688251 6.724106 0.997622 2.030367 17 H 2.595790 3.388592 2.220109 4.483923 3.343109 18 C 4.983166 5.719367 4.938411 2.796897 2.540296 19 H 2.151809 1.084992 2.666510 6.132148 4.871867 20 H 1.931762 2.608375 0.947454 6.980753 5.652039 21 O 7.538691 8.234522 7.916700 2.236987 3.506529 22 H 5.223763 6.132031 4.919619 3.536388 3.256977 23 O 6.135147 6.856336 6.241342 2.301021 2.782276 24 H 5.237479 5.730141 5.139014 3.539644 3.257719 6 7 8 9 10 6 N 0.000000 7 C 1.364437 0.000000 8 O 2.263264 1.197933 0.000000 9 N 2.364879 1.406473 2.245109 0.000000 10 C 2.737158 2.406103 3.475827 1.350663 0.000000 11 C 2.407258 2.785203 3.980922 2.348585 1.343443 12 H 3.844911 2.525678 2.340057 2.046540 3.228577 13 H 5.404634 4.129924 3.936195 3.405489 4.262146 14 H 4.124630 2.955635 2.689793 2.722756 3.751598 15 C 3.574332 4.734015 5.811183 4.939895 4.162248 16 H 2.445402 3.807523 4.623133 4.573602 4.357713 17 H 3.805894 3.345543 4.300222 2.056644 1.071151 18 C 3.751590 4.287206 5.483978 3.761727 2.526174 19 H 4.650634 3.641690 3.899031 2.739811 3.184517 20 H 5.449541 4.298139 4.505356 3.127511 3.562737 21 O 4.506471 5.757694 6.769302 6.081062 5.343704 22 H 4.400074 4.816029 5.994287 4.140635 2.869525 23 O 4.062097 4.960165 6.131064 4.783032 3.717406 24 H 4.400667 4.813450 5.980127 4.153698 2.883131 11 12 13 14 15 11 C 0.000000 12 H 4.344118 0.000000 13 H 5.493982 2.492236 0.000000 14 H 4.716954 2.474019 1.756377 0.000000 15 C 2.822572 6.872374 8.157637 7.082411 0.000000 16 H 3.277190 6.243139 7.735719 6.405399 2.023371 17 H 2.124940 3.500637 4.160282 4.065751 4.874065 18 C 1.505127 5.709640 6.678204 6.038386 2.452870 19 H 4.288104 3.045587 1.761562 1.770631 6.881309 20 H 4.890063 2.311578 2.495176 3.590215 7.688108 21 O 4.005052 7.982406 9.296564 8.152247 1.182693 22 H 2.152526 5.906902 7.003898 6.586317 3.111750 23 O 2.442494 6.763536 7.868101 7.020500 1.323142 24 H 2.153156 6.098444 6.665288 6.087449 3.114670 16 17 18 19 20 16 H 0.000000 17 H 5.339005 0.000000 18 C 3.793666 2.805601 0.000000 19 H 6.721405 3.066471 5.319744 0.000000 20 H 7.628715 3.098799 5.857203 2.952877 0.000000 21 O 2.436990 6.049077 3.520486 8.011648 8.863674 22 H 4.507561 2.894527 1.081561 5.776610 5.796826 23 O 3.183165 4.176652 1.420520 6.497720 7.177110 24 H 4.511389 2.922736 1.081619 5.140751 6.009866 21 22 23 24 21 O 0.000000 22 H 4.078290 0.000000 23 O 2.186822 2.009087 0.000000 24 H 4.082110 1.751363 2.007436 0.000000 Stoichiometry C8H9N3O4 Framework group C1[X(C8H9N3O4)] Deg. of freedom 66 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 3.016214 -0.272065 -0.203448 2 6 0 3.656272 -0.169387 1.171552 3 8 0 3.133913 -1.559160 -0.736344 4 7 0 -2.315472 0.972262 -0.022909 5 6 0 -0.987750 0.664608 -0.054187 6 7 0 -0.145402 1.632557 -0.133321 7 6 0 1.192363 1.365803 -0.163559 8 8 0 2.042216 2.209469 -0.195507 9 7 0 1.578063 0.013303 -0.151575 10 6 0 0.667504 -0.980076 -0.060096 11 6 0 -0.648716 -0.717732 -0.000266 12 1 0 3.441008 0.459608 -0.871696 13 1 0 4.722414 -0.365699 1.100132 14 1 0 3.521544 0.825260 1.573827 15 6 0 -3.356831 0.075473 0.061767 16 1 0 -2.570898 1.935813 -0.062621 17 1 0 1.063293 -1.975391 -0.052116 18 6 0 -1.730320 -1.760310 0.092318 19 1 0 3.217623 -0.897809 1.845494 20 1 0 4.050602 -1.770036 -0.849845 21 8 0 -4.483892 0.433226 0.084381 22 1 0 -1.707273 -2.433960 -0.753519 23 8 0 -3.038646 -1.207601 0.118215 24 1 0 -1.639779 -2.349988 0.994528 --------------------------------------------------------------------- Rotational constants (GHZ): 1.4883579 0.3590481 0.3023549 Standard basis: 6-31G(d) (6D, 7F) There are 243 symmetry adapted cartesian basis functions of A symmetry. There are 243 symmetry adapted basis functions of A symmetry. 243 basis functions, 456 primitive gaussians, 243 cartesian basis functions 55 alpha electrons 55 beta electrons nuclear repulsion energy 1024.9223417085 Hartrees. NAtoms= 24 NActive= 24 NUniq= 24 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. One-electron integrals computed using PRISM. NBasis= 243 RedAO= T EigKep= 8.43D-04 NBF= 243 NBsUse= 243 1.00D-06 EigRej= -1.00D+00 NBFU= 243 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 -0.000000 0.000000 Rot= 1.000000 0.000130 -0.000031 0.000077 Ang= 0.02 deg. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. SCF Done: E(RHF) = -771.021425235 A.U. after 10 cycles NFock= 10 Conv=0.52D-08 -V/T= 2.0017 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 0.000324434 -0.000077577 0.000055699 2 6 -0.000086079 -0.000031695 -0.000121310 3 8 -0.000239751 0.000030009 -0.000044118 4 7 0.000064917 -0.000168380 0.000171485 5 6 0.000546124 0.000217647 -0.000145301 6 7 -0.000415410 0.000116292 -0.000004476 7 6 0.000483174 -0.000193893 0.000219081 8 8 -0.000269908 -0.000050509 -0.000172701 9 7 -0.000044044 0.000092115 0.000096581 10 6 -0.000254433 0.000198469 -0.000145923 11 6 0.000008588 -0.000379444 0.000093488 12 1 -0.000080468 0.000024720 0.000044209 13 1 -0.000007835 0.000032183 0.000021033 14 1 0.000011987 0.000015136 0.000051497 15 6 -0.000381462 0.000207716 -0.000151611 16 1 0.000021816 0.000046630 -0.000040927 17 1 0.000148663 -0.000059100 0.000043358 18 6 -0.000259497 0.000006878 -0.000016903 19 1 0.000050860 0.000025937 -0.000007473 20 1 0.000016545 0.000087863 -0.000014706 21 8 0.000204578 -0.000230891 0.000131312 22 1 -0.000033630 0.000088155 -0.000028538 23 8 0.000186154 -0.000056782 0.000008885 24 1 0.000004681 0.000058521 -0.000042641 ------------------------------------------------------------------- Cartesian Forces: Max 0.000546124 RMS 0.000168180 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000331583 RMS 0.000086780 Search for a local minimum. Step number 9 out of a maximum of 134 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swapping is turned off. Update second derivatives using D2CorX and points 2 4 3 5 6 7 8 9 DE= -1.17D-05 DEPred=-1.01D-05 R= 1.16D+00 TightC=F SS= 1.41D+00 RLast= 2.28D-02 DXNew= 8.7710D-01 6.8412D-02 Trust test= 1.16D+00 RLast= 2.28D-02 DXMaxT set to 5.22D-01 ITU= 1 1 1 1 1 -1 1 1 0 Eigenvalues --- 0.00264 0.00417 0.01066 0.01303 0.01354 Eigenvalues --- 0.01619 0.01741 0.01838 0.01878 0.01917 Eigenvalues --- 0.02106 0.02538 0.02557 0.05277 0.05336 Eigenvalues --- 0.05561 0.05664 0.06975 0.07517 0.07629 Eigenvalues --- 0.08580 0.08650 0.12385 0.12907 0.15818 Eigenvalues --- 0.15998 0.16033 0.16089 0.16226 0.16433 Eigenvalues --- 0.19032 0.22179 0.22954 0.23686 0.23848 Eigenvalues --- 0.24422 0.24975 0.25002 0.25831 0.26547 Eigenvalues --- 0.29185 0.31384 0.32661 0.33591 0.33800 Eigenvalues --- 0.33810 0.33818 0.33898 0.34324 0.34775 Eigenvalues --- 0.38367 0.38659 0.42436 0.44240 0.44808 Eigenvalues --- 0.46218 0.46762 0.48580 0.48683 0.48932 Eigenvalues --- 0.50514 0.51622 0.57982 0.71911 0.88555 Eigenvalues --- 0.92781 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 9 8 7 6 5 RFO step: Lambda=-5.28286073D-06. DidBck=F Rises=F RFO-DIIS coefs: 1.52718 -0.30578 -0.21477 -0.05812 0.05149 Iteration 1 RMS(Cart)= 0.00258026 RMS(Int)= 0.00000355 Iteration 2 RMS(Cart)= 0.00000374 RMS(Int)= 0.00000251 Iteration 3 RMS(Cart)= 0.00000000 RMS(Int)= 0.00000251 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87266 -0.00005 0.00064 -0.00069 -0.00005 2.87261 R2 2.64187 -0.00005 0.00004 0.00018 0.00023 2.64209 R3 2.77243 -0.00007 -0.00118 0.00079 -0.00039 2.77204 R4 2.03736 -0.00008 0.00026 -0.00042 -0.00015 2.03721 R5 2.05303 -0.00002 -0.00004 -0.00001 -0.00005 2.05297 R6 2.04344 0.00002 -0.00015 0.00019 0.00004 2.04348 R7 2.05034 -0.00005 -0.00002 -0.00013 -0.00015 2.05019 R8 1.79043 -0.00004 -0.00005 0.00000 -0.00005 1.79038 R9 2.57619 -0.00003 0.00005 -0.00007 -0.00002 2.57617 R10 2.60195 0.00010 0.00009 0.00009 0.00018 2.60213 R11 1.88523 0.00006 0.00000 0.00012 0.00012 1.88535 R12 2.42941 -0.00027 -0.00032 -0.00022 -0.00053 2.42888 R13 2.69159 0.00022 0.00017 0.00048 0.00066 2.69225 R14 2.57841 0.00015 0.00084 -0.00024 0.00059 2.57900 R15 2.26377 -0.00028 0.00023 -0.00045 -0.00022 2.26354 R16 2.65785 -0.00012 -0.00121 0.00052 -0.00070 2.65715 R17 2.55238 0.00006 0.00100 -0.00046 0.00054 2.55292 R18 2.53874 -0.00015 -0.00040 -0.00001 -0.00041 2.53833 R19 2.02418 0.00006 -0.00023 0.00023 -0.00000 2.02418 R20 2.84428 0.00015 0.00030 0.00017 0.00047 2.84475 R21 2.23497 -0.00033 0.00014 -0.00050 -0.00036 2.23461 R22 2.50038 -0.00010 0.00053 -0.00055 -0.00001 2.50036 R23 2.04385 -0.00005 0.00016 -0.00023 -0.00007 2.04378 R24 2.68439 -0.00019 -0.00118 0.00036 -0.00082 2.68358 R25 2.04396 -0.00005 0.00018 -0.00026 -0.00008 2.04388 A1 1.95144 0.00011 -0.00076 0.00079 0.00003 1.95148 A2 1.94725 0.00006 0.00097 -0.00089 0.00008 1.94733 A3 1.92720 -0.00003 0.00033 -0.00032 0.00002 1.92722 A4 1.84947 -0.00020 -0.00068 0.00028 -0.00040 1.84907 A5 1.93411 0.00004 -0.00074 0.00093 0.00019 1.93430 A6 1.85058 0.00001 0.00093 -0.00086 0.00007 1.85065 A7 1.91934 0.00003 -0.00063 0.00054 -0.00008 1.91925 A8 1.92427 0.00006 0.00045 0.00003 0.00049 1.92476 A9 1.92439 0.00002 -0.00063 0.00048 -0.00015 1.92424 A10 1.88908 -0.00005 0.00040 -0.00050 -0.00010 1.88898 A11 1.89259 -0.00003 0.00018 -0.00018 0.00000 1.89259 A12 1.91356 -0.00004 0.00023 -0.00040 -0.00017 1.91339 A13 1.90925 -0.00014 -0.00073 0.00013 -0.00060 1.90866 A14 2.20312 0.00010 0.00010 0.00031 0.00041 2.20353 A15 2.05603 -0.00006 0.00032 -0.00042 -0.00010 2.05593 A16 2.02403 -0.00004 -0.00042 0.00012 -0.00030 2.02373 A17 2.05968 -0.00006 0.00060 -0.00069 -0.00009 2.05959 A18 2.03754 -0.00012 -0.00035 -0.00011 -0.00045 2.03708 A19 2.18596 0.00019 -0.00026 0.00080 0.00054 2.18651 A20 2.09045 -0.00005 0.00001 -0.00025 -0.00026 2.09019 A21 2.16333 -0.00007 -0.00022 -0.00041 -0.00063 2.16271 A22 2.04506 -0.00009 0.00030 -0.00030 -0.00001 2.04505 A23 2.07478 0.00016 -0.00009 0.00072 0.00064 2.07542 A24 2.04380 0.00001 -0.00026 0.00008 -0.00019 2.04361 A25 2.11787 -0.00010 0.00037 -0.00039 -0.00002 2.11785 A26 2.12111 0.00009 0.00002 0.00032 0.00032 2.12143 A27 2.11752 0.00004 -0.00021 0.00027 0.00006 2.11758 A28 2.02062 -0.00018 0.00017 -0.00103 -0.00087 2.01976 A29 2.14496 0.00014 0.00006 0.00074 0.00081 2.14577 A30 2.00539 -0.00018 0.00039 -0.00082 -0.00043 2.00496 A31 2.09849 -0.00004 0.00006 -0.00016 -0.00010 2.09839 A32 2.17916 0.00022 -0.00042 0.00099 0.00056 2.17972 A33 2.12339 0.00008 0.00025 0.00008 0.00033 2.12372 A34 2.04018 -0.00005 0.00007 -0.00026 -0.00019 2.03999 A35 2.11961 -0.00003 -0.00031 0.00018 -0.00013 2.11948 A36 1.94767 0.00002 -0.00009 0.00009 -0.00000 1.94767 A37 1.97519 0.00003 0.00029 -0.00012 0.00016 1.97535 A38 1.94851 0.00000 -0.00012 -0.00009 -0.00021 1.94829 A39 1.85066 -0.00006 -0.00001 -0.00018 -0.00019 1.85047 A40 1.88702 0.00003 -0.00034 0.00053 0.00019 1.88721 A41 1.84836 -0.00004 0.00027 -0.00021 0.00007 1.84843 A42 2.21182 0.00008 -0.00017 0.00036 0.00019 2.21201 D1 1.09341 0.00009 -0.00071 0.00150 0.00079 1.09420 D2 -3.10807 0.00009 -0.00033 0.00124 0.00091 -3.10715 D3 -0.99270 0.00008 -0.00015 0.00108 0.00093 -0.99177 D4 -3.12198 -0.00005 -0.00143 0.00179 0.00036 -3.12162 D5 -1.04027 -0.00005 -0.00105 0.00153 0.00048 -1.03979 D6 1.07509 -0.00006 -0.00087 0.00137 0.00050 1.07559 D7 -1.06866 -0.00002 0.00055 -0.00004 0.00051 -1.06815 D8 1.01305 -0.00002 0.00093 -0.00030 0.00063 1.01368 D9 3.12842 -0.00003 0.00111 -0.00046 0.00065 3.12907 D10 -1.08701 -0.00003 -0.00029 -0.00112 -0.00141 -1.08842 D11 3.07108 -0.00004 -0.00059 -0.00068 -0.00126 3.06982 D12 1.07117 0.00003 -0.00094 -0.00028 -0.00122 1.06995 D13 1.43844 0.00000 0.00106 -0.00049 0.00056 1.43900 D14 -1.67300 -0.00005 -0.00316 -0.00080 -0.00396 -1.67696 D15 -2.71696 0.00004 0.00026 0.00014 0.00039 -2.71657 D16 0.45478 -0.00000 -0.00396 -0.00017 -0.00413 0.45065 D17 -0.66050 0.00000 -0.00047 0.00093 0.00045 -0.66005 D18 2.51124 -0.00004 -0.00469 0.00062 -0.00407 2.50717 D19 -3.13968 -0.00001 -0.00060 -0.00001 -0.00061 -3.14029 D20 0.00549 -0.00002 -0.00084 -0.00084 -0.00168 0.00381 D21 -0.00042 0.00001 0.00001 0.00078 0.00079 0.00037 D22 -3.13844 -0.00000 -0.00023 -0.00005 -0.00028 -3.13872 D23 3.14043 0.00000 0.00068 -0.00022 0.00046 3.14089 D24 0.00003 0.00001 0.00056 -0.00003 0.00054 0.00056 D25 0.00114 -0.00002 0.00008 -0.00100 -0.00092 0.00022 D26 -3.13927 -0.00001 -0.00004 -0.00080 -0.00084 -3.14011 D27 3.13866 -0.00000 0.00069 -0.00036 0.00032 3.13898 D28 -0.00684 0.00001 0.00095 0.00054 0.00149 -0.00535 D29 3.11964 0.00003 0.00209 0.00128 0.00336 3.12300 D30 -0.00438 0.00002 0.00044 0.00128 0.00173 -0.00265 D31 -0.01809 0.00002 0.00183 0.00039 0.00221 -0.01588 D32 3.14108 0.00001 0.00018 0.00039 0.00057 -3.14153 D33 -3.10054 -0.00011 -0.00444 -0.00086 -0.00530 -3.10584 D34 0.03732 -0.00004 -0.00463 -0.00077 -0.00540 0.03192 D35 3.12679 -0.00001 0.00163 -0.00022 0.00141 3.12820 D36 -0.04501 0.00003 0.00586 0.00007 0.00593 -0.03908 D37 -0.01833 0.00006 0.00144 -0.00014 0.00130 -0.01703 D38 3.09305 0.00010 0.00567 0.00016 0.00583 3.09888 D39 3.13080 0.00004 0.00119 0.00120 0.00240 3.13320 D40 -0.02434 0.00003 0.00226 0.00002 0.00228 -0.02206 D41 0.02070 -0.00001 -0.00320 0.00088 -0.00232 0.01838 D42 -3.13445 -0.00002 -0.00213 -0.00030 -0.00243 -3.13688 D43 0.01025 -0.00002 -0.00060 -0.00108 -0.00168 0.00858 D44 3.13334 -0.00001 0.00114 -0.00110 0.00004 3.13338 D45 -3.11681 -0.00000 -0.00174 0.00020 -0.00154 -3.11835 D46 0.00628 0.00001 -0.00000 0.00018 0.00018 0.00645 D47 2.08432 -0.00004 0.00026 -0.00116 -0.00091 2.08342 D48 -0.00147 -0.00001 0.00014 -0.00090 -0.00077 -0.00224 D49 -2.08489 0.00002 -0.00033 -0.00049 -0.00082 -2.08571 D50 -1.03784 -0.00005 -0.00157 -0.00114 -0.00271 -1.04054 D51 -3.12363 -0.00001 -0.00169 -0.00088 -0.00257 -3.12620 D52 1.07613 0.00001 -0.00216 -0.00046 -0.00262 1.07352 D53 -0.00728 0.00001 0.00015 0.00045 0.00061 -0.00667 D54 3.13550 0.00001 0.00003 0.00065 0.00068 3.13618 D55 0.00774 -0.00001 -0.00046 0.00001 -0.00044 0.00730 D56 -2.13292 -0.00001 -0.00051 0.00010 -0.00041 -2.13333 D57 2.14785 -0.00001 -0.00025 -0.00032 -0.00056 2.14729 Item Value Threshold Converged? Maximum Force 0.000332 0.000450 YES RMS Force 0.000087 0.000300 YES Maximum Displacement 0.009979 0.001800 NO RMS Displacement 0.002580 0.001200 NO Predicted change in Energy=-2.626116D-06 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.962231 -5.038907 2.072323 2 6 0 7.330912 -4.741440 3.516746 3 8 0 6.610921 -6.380048 1.891485 4 7 0 2.733026 -1.976824 0.417414 5 6 0 3.785122 -2.733711 0.840101 6 7 0 4.958471 -2.210348 0.803236 7 6 0 6.036880 -2.935056 1.220820 8 8 0 7.156321 -2.510016 1.251709 9 7 0 5.799426 -4.255973 1.640245 10 6 0 4.552011 -4.773566 1.673646 11 6 0 3.486350 -4.053102 1.286918 12 1 0 7.769246 -4.761872 1.413419 13 1 0 8.205580 -5.318827 3.802783 14 1 0 7.564446 -3.692299 3.635540 15 6 0 1.412050 -2.364240 0.385470 16 1 0 2.924308 -1.050986 0.098649 17 1 0 4.478095 -5.786997 2.012546 18 6 0 2.065917 -4.551599 1.281645 19 1 0 6.512143 -5.009501 4.176140 20 1 0 7.354466 -6.929960 2.097297 21 8 0 0.561062 -1.638275 0.001924 22 1 0 1.950447 -5.417789 0.644404 23 8 0 1.137244 -3.588338 0.805888 24 1 0 1.733328 -4.818326 2.275652 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.520121 0.000000 3 O 1.398135 2.417622 0.000000 4 N 5.477339 6.195927 6.049738 0.000000 5 C 4.114161 4.875247 4.731419 1.363249 0.000000 6 N 3.691393 4.404321 4.615331 2.270682 1.285308 7 C 2.451025 3.195124 3.556303 3.532580 2.292575 8 O 2.665777 3.184357 3.960293 4.532756 3.403593 9 N 1.466899 2.470300 2.287650 4.011563 2.648572 10 C 2.457338 3.334717 2.620563 3.564910 2.333221 11 C 3.697353 4.497399 3.942477 2.373703 1.424677 12 H 1.078043 2.148613 2.046646 5.840550 4.507258 13 H 2.149130 1.086387 2.705954 7.251106 5.916144 14 H 2.149340 1.081364 3.342893 6.053248 4.797569 15 C 6.387787 7.105554 6.739663 1.376985 2.444313 16 H 6.008638 6.687376 6.723413 0.997686 2.030349 17 H 2.595023 3.390335 2.217050 4.484098 3.343262 18 C 4.983626 5.722926 4.936820 2.796675 2.540737 19 H 2.151625 1.084914 2.666047 6.132444 4.872886 20 H 1.931464 2.608641 0.947429 6.979489 5.650599 21 O 7.538289 8.234954 7.915532 2.237113 3.506719 22 H 5.224986 6.136546 4.919468 3.536126 3.257085 23 O 6.135021 6.858565 6.239656 2.300958 2.782591 24 H 5.237501 5.734036 5.135900 3.539290 3.258264 6 7 8 9 10 6 N 0.000000 7 C 1.364750 0.000000 8 O 2.263068 1.197815 0.000000 9 N 2.364819 1.406102 2.245103 0.000000 10 C 2.737318 2.406243 3.476222 1.350949 0.000000 11 C 2.407661 2.785606 3.981337 2.348684 1.343227 12 H 3.844874 2.524964 2.339376 2.046357 3.227763 13 H 5.404039 4.129425 3.936793 3.405261 4.263695 14 H 4.124225 2.955968 2.692027 2.722908 3.754055 15 C 3.574257 4.734204 5.811047 4.939856 4.162163 16 H 2.445073 3.807505 4.622581 4.573266 4.357480 17 H 3.805997 3.345178 4.300044 2.056346 1.071150 18 C 3.751959 4.287827 5.484631 3.762324 2.526578 19 H 4.650337 3.641856 3.900601 2.739805 3.187516 20 H 5.448865 4.296918 4.504463 3.126860 3.561358 21 O 4.506281 5.757771 6.768998 6.080862 5.343442 22 H 4.400126 4.816134 5.993754 4.141999 2.870975 23 O 4.062098 4.960381 6.131136 4.783078 3.717311 24 H 4.401261 4.814554 5.982107 4.153689 2.882600 11 12 13 14 15 11 C 0.000000 12 H 4.342989 0.000000 13 H 5.495704 2.491915 0.000000 14 H 4.719859 2.474620 1.756307 0.000000 15 C 2.822691 6.871627 8.158410 7.083691 0.000000 16 H 3.277282 6.242813 7.734785 6.404453 2.023321 17 H 2.125203 3.498787 4.161523 4.067853 4.874759 18 C 1.505376 5.708725 6.681335 6.042602 2.452592 19 H 4.291588 3.045366 1.761478 1.770483 6.883134 20 H 4.888287 2.310917 2.495762 3.590645 7.686902 21 O 4.004985 7.981672 9.296861 8.152887 1.182503 22 H 2.152717 5.905932 7.007983 6.590993 3.111443 23 O 2.442477 6.762376 7.870028 7.023295 1.323135 24 H 2.153194 6.097453 6.668783 6.092550 3.114248 16 17 18 19 20 16 H 0.000000 17 H 5.339201 0.000000 18 C 3.793495 2.806961 0.000000 19 H 6.720739 3.069689 5.325101 0.000000 20 H 7.627793 3.096297 5.855821 2.952840 0.000000 21 O 2.437046 6.049599 3.519904 8.012777 8.862440 22 H 4.507241 2.897781 1.081524 5.783505 5.796635 23 O 3.183071 4.177489 1.420088 6.501373 7.175516 24 H 4.511167 2.922549 1.081576 5.146404 6.007329 21 22 23 24 21 O 0.000000 22 H 4.077731 0.000000 23 O 2.186570 2.008548 0.000000 24 H 4.081271 1.751418 2.007086 0.000000 Stoichiometry C8H9N3O4 Framework group C1[X(C8H9N3O4)] Deg. of freedom 66 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 3.015993 -0.272588 -0.202416 2 6 0 3.657537 -0.167072 1.171649 3 8 0 3.132475 -1.561062 -0.732556 4 7 0 -2.314846 0.972539 -0.020593 5 6 0 -0.987235 0.664680 -0.054041 6 7 0 -0.145048 1.632476 -0.132197 7 6 0 1.192875 1.365202 -0.164912 8 8 0 2.042260 2.208986 -0.201433 9 7 0 1.578126 0.012991 -0.149718 10 6 0 0.667178 -0.980558 -0.059746 11 6 0 -0.648920 -0.718262 -0.001900 12 1 0 3.440210 0.457459 -0.872676 13 1 0 4.723604 -0.363307 1.099349 14 1 0 3.523190 0.828180 1.572611 15 6 0 -3.356752 0.076121 0.062817 16 1 0 -2.570063 1.936273 -0.058772 17 1 0 1.063750 -1.975557 -0.051470 18 6 0 -1.731429 -1.760411 0.088962 19 1 0 3.219822 -0.894353 1.847303 20 1 0 4.049016 -1.771680 -0.847506 21 8 0 -4.483517 0.434067 0.087055 22 1 0 -1.709154 -2.432347 -0.758210 23 8 0 -3.039043 -1.207192 0.116237 24 1 0 -1.640886 -2.351767 0.990021 --------------------------------------------------------------------- Rotational constants (GHZ): 1.4883832 0.3590755 0.3023493 Standard basis: 6-31G(d) (6D, 7F) There are 243 symmetry adapted cartesian basis functions of A symmetry. There are 243 symmetry adapted basis functions of A symmetry. 243 basis functions, 456 primitive gaussians, 243 cartesian basis functions 55 alpha electrons 55 beta electrons nuclear repulsion energy 1024.9438964189 Hartrees. NAtoms= 24 NActive= 24 NUniq= 24 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. One-electron integrals computed using PRISM. NBasis= 243 RedAO= T EigKep= 8.43D-04 NBF= 243 NBsUse= 243 1.00D-06 EigRej= -1.00D+00 NBFU= 243 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 -0.000000 -0.000000 Rot= 1.000000 0.000241 -0.000035 0.000069 Ang= 0.03 deg. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. SCF Done: E(RHF) = -771.021428220 A.U. after 10 cycles NFock= 10 Conv=0.40D-08 -V/T= 2.0017 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 0.000216514 -0.000161670 0.000085314 2 6 -0.000072836 -0.000053930 -0.000105516 3 8 -0.000023031 0.000085175 0.000017556 4 7 -0.000077450 -0.000006856 0.000025637 5 6 0.000129143 0.000057982 -0.000025573 6 7 -0.000101610 -0.000010788 -0.000010241 7 6 0.000155153 0.000067468 0.000055137 8 8 -0.000055273 -0.000045097 -0.000035071 9 7 -0.000184567 0.000051342 -0.000008080 10 6 -0.000016485 0.000090966 -0.000069355 11 6 -0.000044398 -0.000142836 0.000048945 12 1 -0.000023444 -0.000004108 0.000001728 13 1 0.000010269 0.000020363 0.000032183 14 1 0.000010034 0.000010798 -0.000002544 15 6 -0.000062589 -0.000023117 0.000012341 16 1 0.000024751 -0.000007843 -0.000016129 17 1 0.000037491 -0.000024436 0.000030413 18 6 0.000017742 -0.000081027 0.000044055 19 1 0.000011310 0.000013133 0.000026168 20 1 0.000015358 0.000004526 -0.000018489 21 8 0.000004025 0.000021238 -0.000004006 22 1 0.000002100 0.000038499 -0.000015766 23 8 0.000013616 0.000087820 -0.000053972 24 1 0.000014179 0.000012399 -0.000014734 ------------------------------------------------------------------- Cartesian Forces: Max 0.000216514 RMS 0.000063833 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000170755 RMS 0.000029986 Search for a local minimum. Step number 10 out of a maximum of 134 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swapping is turned off. Update second derivatives using D2CorX and points 2 4 3 5 6 7 8 9 10 DE= -2.99D-06 DEPred=-2.63D-06 R= 1.14D+00 TightC=F SS= 1.41D+00 RLast= 1.66D-02 DXNew= 8.7710D-01 4.9940D-02 Trust test= 1.14D+00 RLast= 1.66D-02 DXMaxT set to 5.22D-01 ITU= 1 1 1 1 1 1 -1 1 1 0 Eigenvalues --- 0.00265 0.00393 0.00963 0.01272 0.01390 Eigenvalues --- 0.01618 0.01733 0.01843 0.01878 0.01916 Eigenvalues --- 0.02111 0.02526 0.02568 0.05237 0.05330 Eigenvalues --- 0.05566 0.05681 0.06958 0.07477 0.07702 Eigenvalues --- 0.08494 0.08697 0.12379 0.12919 0.15817 Eigenvalues --- 0.15987 0.16022 0.16090 0.16167 0.16412 Eigenvalues --- 0.18920 0.22182 0.23088 0.23310 0.23753 Eigenvalues --- 0.24531 0.24900 0.25016 0.25860 0.26349 Eigenvalues --- 0.29254 0.31073 0.32735 0.33637 0.33791 Eigenvalues --- 0.33808 0.33814 0.33895 0.34068 0.34828 Eigenvalues --- 0.38522 0.39114 0.42706 0.44099 0.44806 Eigenvalues --- 0.46189 0.46584 0.48176 0.48890 0.49861 Eigenvalues --- 0.50641 0.52415 0.58015 0.71744 0.88240 Eigenvalues --- 0.92650 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 10 9 8 7 6 5 RFO step: Lambda=-7.85598316D-07. DidBck=F Rises=F RFO-DIIS coefs: 1.25239 -0.20813 -0.00968 -0.00480 -0.03620 RFO-DIIS coefs: 0.00641 Iteration 1 RMS(Cart)= 0.00159953 RMS(Int)= 0.00000112 Iteration 2 RMS(Cart)= 0.00000124 RMS(Int)= 0.00000064 Iteration 3 RMS(Cart)= 0.00000000 RMS(Int)= 0.00000064 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87261 -0.00006 0.00005 -0.00026 -0.00021 2.87240 R2 2.64209 -0.00008 0.00010 -0.00031 -0.00021 2.64189 R3 2.77204 0.00017 -0.00024 0.00069 0.00046 2.77249 R4 2.03721 -0.00002 -0.00001 -0.00003 -0.00004 2.03717 R5 2.05297 0.00001 -0.00003 0.00004 0.00001 2.05299 R6 2.04348 0.00001 -0.00003 0.00003 -0.00000 2.04348 R7 2.05019 0.00000 -0.00003 0.00002 -0.00001 2.05018 R8 1.79038 0.00001 -0.00004 0.00002 -0.00001 1.79037 R9 2.57617 0.00005 -0.00000 0.00009 0.00009 2.57626 R10 2.60213 -0.00000 0.00000 0.00001 0.00001 2.60214 R11 1.88535 0.00000 0.00002 -0.00000 0.00002 1.88537 R12 2.42888 -0.00004 -0.00013 0.00006 -0.00007 2.42881 R13 2.69225 0.00007 0.00010 0.00010 0.00020 2.69245 R14 2.57900 0.00005 0.00017 -0.00002 0.00015 2.57916 R15 2.26354 -0.00007 0.00000 -0.00010 -0.00010 2.26345 R16 2.65715 0.00002 -0.00026 0.00024 -0.00002 2.65713 R17 2.55292 -0.00001 0.00018 -0.00016 0.00002 2.55294 R18 2.53833 -0.00001 -0.00013 0.00010 -0.00003 2.53830 R19 2.02418 0.00003 -0.00003 0.00008 0.00005 2.02423 R20 2.84475 -0.00000 0.00009 -0.00006 0.00004 2.84478 R21 2.23461 0.00001 -0.00008 0.00004 -0.00003 2.23457 R22 2.50036 -0.00004 0.00006 -0.00014 -0.00009 2.50027 R23 2.04378 -0.00002 0.00001 -0.00008 -0.00007 2.04371 R24 2.68358 0.00008 -0.00029 0.00037 0.00008 2.68366 R25 2.04388 -0.00002 0.00001 -0.00008 -0.00007 2.04382 A1 1.95148 0.00003 -0.00016 0.00027 0.00011 1.95158 A2 1.94733 -0.00003 0.00005 -0.00023 -0.00017 1.94715 A3 1.92722 0.00001 0.00008 0.00012 0.00020 1.92741 A4 1.84907 -0.00001 -0.00016 0.00006 -0.00010 1.84897 A5 1.93430 -0.00001 0.00002 -0.00007 -0.00004 1.93425 A6 1.85065 0.00001 0.00018 -0.00018 -0.00000 1.85065 A7 1.91925 0.00005 -0.00019 0.00044 0.00024 1.91950 A8 1.92476 -0.00002 0.00018 -0.00029 -0.00012 1.92464 A9 1.92424 0.00004 -0.00014 0.00034 0.00019 1.92444 A10 1.88898 -0.00002 0.00006 -0.00027 -0.00021 1.88877 A11 1.89259 -0.00003 0.00005 -0.00009 -0.00004 1.89255 A12 1.91339 -0.00001 0.00005 -0.00012 -0.00008 1.91332 A13 1.90866 -0.00001 -0.00015 0.00001 -0.00013 1.90852 A14 2.20353 0.00004 0.00009 0.00012 0.00021 2.20374 A15 2.05593 -0.00004 0.00005 -0.00026 -0.00021 2.05572 A16 2.02373 0.00000 -0.00013 0.00013 -0.00000 2.02373 A17 2.05959 -0.00002 0.00006 -0.00012 -0.00006 2.05953 A18 2.03708 -0.00001 -0.00011 0.00005 -0.00006 2.03702 A19 2.18651 0.00002 0.00006 0.00007 0.00013 2.18663 A20 2.09019 0.00002 -0.00007 0.00012 0.00005 2.09024 A21 2.16271 0.00003 -0.00025 0.00038 0.00013 2.16284 A22 2.04505 -0.00005 0.00007 -0.00021 -0.00015 2.04491 A23 2.07542 0.00001 0.00018 -0.00017 0.00001 2.07544 A24 2.04361 -0.00002 -0.00006 -0.00022 -0.00028 2.04333 A25 2.11785 -0.00000 0.00004 0.00015 0.00019 2.11804 A26 2.12143 0.00002 0.00006 0.00006 0.00012 2.12155 A27 2.11758 0.00003 -0.00005 0.00018 0.00013 2.11770 A28 2.01976 -0.00006 -0.00011 -0.00028 -0.00039 2.01937 A29 2.14577 0.00003 0.00016 0.00010 0.00027 2.14603 A30 2.00496 -0.00005 0.00002 -0.00023 -0.00022 2.00474 A31 2.09839 -0.00003 -0.00001 -0.00010 -0.00011 2.09827 A32 2.17972 0.00008 0.00001 0.00033 0.00033 2.18005 A33 2.12372 -0.00000 0.00007 -0.00002 0.00005 2.12376 A34 2.03999 -0.00004 -0.00004 -0.00020 -0.00024 2.03975 A35 2.11948 0.00004 -0.00003 0.00022 0.00019 2.11967 A36 1.94767 -0.00000 -0.00006 -0.00001 -0.00007 1.94760 A37 1.97535 0.00000 0.00006 -0.00004 0.00002 1.97537 A38 1.94829 -0.00000 -0.00012 0.00008 -0.00003 1.94826 A39 1.85047 -0.00001 0.00006 -0.00027 -0.00020 1.85027 A40 1.88721 0.00002 -0.00006 0.00027 0.00021 1.88742 A41 1.84843 0.00000 0.00013 -0.00004 0.00009 1.84852 A42 2.21201 0.00004 0.00002 0.00017 0.00019 2.21220 D1 1.09420 0.00002 0.00022 -0.00012 0.00010 1.09430 D2 -3.10715 0.00001 0.00028 -0.00037 -0.00008 -3.10724 D3 -0.99177 0.00000 0.00037 -0.00049 -0.00013 -0.99190 D4 -3.12162 0.00001 -0.00006 -0.00002 -0.00008 -3.12171 D5 -1.03979 -0.00001 0.00000 -0.00027 -0.00026 -1.04006 D6 1.07559 -0.00001 0.00009 -0.00039 -0.00031 1.07528 D7 -1.06815 -0.00000 0.00025 -0.00031 -0.00007 -1.06821 D8 1.01368 -0.00001 0.00031 -0.00056 -0.00025 1.01344 D9 3.12907 -0.00002 0.00039 -0.00069 -0.00029 3.12877 D10 -1.08842 -0.00003 -0.00054 -0.00096 -0.00151 -1.08992 D11 3.06982 -0.00000 -0.00041 -0.00088 -0.00129 3.06853 D12 1.06995 -0.00000 -0.00054 -0.00067 -0.00121 1.06874 D13 1.43900 -0.00001 -0.00082 -0.00036 -0.00118 1.43782 D14 -1.67696 -0.00001 -0.00241 -0.00007 -0.00248 -1.67944 D15 -2.71657 0.00001 -0.00110 -0.00012 -0.00122 -2.71779 D16 0.45065 -0.00000 -0.00268 0.00017 -0.00252 0.44813 D17 -0.66005 -0.00000 -0.00106 -0.00026 -0.00132 -0.66137 D18 2.50717 -0.00001 -0.00265 0.00003 -0.00262 2.50455 D19 -3.14029 -0.00000 -0.00022 0.00003 -0.00019 -3.14048 D20 0.00381 -0.00000 -0.00048 0.00008 -0.00040 0.00341 D21 0.00037 0.00001 0.00018 0.00027 0.00045 0.00082 D22 -3.13872 0.00001 -0.00008 0.00031 0.00023 -3.13848 D23 3.14089 0.00000 0.00030 -0.00034 -0.00004 3.14085 D24 0.00056 -0.00001 0.00018 -0.00036 -0.00018 0.00038 D25 0.00022 -0.00001 -0.00009 -0.00057 -0.00066 -0.00044 D26 -3.14011 -0.00001 -0.00021 -0.00059 -0.00080 -3.14091 D27 3.13898 -0.00000 0.00019 -0.00027 -0.00008 3.13891 D28 -0.00535 -0.00001 0.00047 -0.00032 0.00015 -0.00520 D29 3.12300 0.00001 0.00104 0.00007 0.00111 3.12411 D30 -0.00265 0.00001 0.00045 0.00036 0.00081 -0.00184 D31 -0.01588 0.00001 0.00076 0.00012 0.00088 -0.01500 D32 -3.14153 0.00001 0.00017 0.00041 0.00058 -3.14095 D33 -3.10584 -0.00003 -0.00178 0.00012 -0.00166 -3.10750 D34 0.03192 -0.00000 -0.00185 0.00035 -0.00150 0.03042 D35 3.12820 -0.00000 0.00051 0.00008 0.00059 3.12879 D36 -0.03908 0.00000 0.00211 -0.00021 0.00190 -0.03718 D37 -0.01703 0.00002 0.00044 0.00030 0.00075 -0.01628 D38 3.09888 0.00003 0.00204 0.00001 0.00205 3.10093 D39 3.13320 0.00000 0.00075 -0.00029 0.00046 3.13366 D40 -0.02206 0.00001 0.00080 -0.00004 0.00076 -0.02130 D41 0.01838 -0.00000 -0.00091 0.00002 -0.00089 0.01749 D42 -3.13688 0.00000 -0.00086 0.00027 -0.00059 -3.13747 D43 0.00858 -0.00000 -0.00050 0.00004 -0.00047 0.00811 D44 3.13338 -0.00001 0.00012 -0.00027 -0.00016 3.13322 D45 -3.11835 -0.00001 -0.00055 -0.00023 -0.00078 -3.11913 D46 0.00645 -0.00001 0.00007 -0.00054 -0.00047 0.00598 D47 2.08342 -0.00002 -0.00009 -0.00086 -0.00095 2.08247 D48 -0.00224 -0.00000 -0.00017 -0.00048 -0.00064 -0.00289 D49 -2.08571 -0.00000 -0.00029 -0.00046 -0.00075 -2.08646 D50 -1.04054 -0.00002 -0.00074 -0.00053 -0.00127 -1.04182 D51 -3.12620 -0.00000 -0.00082 -0.00015 -0.00097 -3.12717 D52 1.07352 -0.00000 -0.00094 -0.00014 -0.00107 1.07244 D53 -0.00667 0.00001 0.00016 0.00019 0.00035 -0.00632 D54 3.13618 0.00000 0.00004 0.00017 0.00021 3.13640 D55 0.00730 -0.00000 -0.00015 0.00021 0.00005 0.00735 D56 -2.13333 0.00001 -0.00016 0.00043 0.00027 -2.13306 D57 2.14729 -0.00001 -0.00018 0.00026 0.00008 2.14737 Item Value Threshold Converged? Maximum Force 0.000171 0.000450 YES RMS Force 0.000030 0.000300 YES Maximum Displacement 0.006342 0.001800 NO RMS Displacement 0.001599 0.001200 NO Predicted change in Energy=-3.912877D-07 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.962069 -5.039399 2.072889 2 6 0 7.332067 -4.740137 3.516485 3 8 0 6.609850 -6.380461 1.894089 4 7 0 2.732880 -1.976494 0.418782 5 6 0 3.784991 -2.733924 0.840613 6 7 0 4.958302 -2.210539 0.804213 7 6 0 6.036838 -2.935647 1.221039 8 8 0 7.156507 -2.511269 1.250784 9 7 0 5.799007 -4.256348 1.640893 10 6 0 4.551622 -4.774092 1.673401 11 6 0 3.486019 -4.053768 1.286302 12 1 0 7.768511 -4.763669 1.412772 13 1 0 8.206692 -5.317445 3.802835 14 1 0 7.566354 -3.690962 3.633473 15 6 0 1.411826 -2.363610 0.386200 16 1 0 2.924452 -1.050483 0.100667 17 1 0 4.477998 -5.787581 2.012282 18 6 0 2.065552 -4.552212 1.279753 19 1 0 6.513750 -5.006618 4.177071 20 1 0 7.353697 -6.930373 2.098771 21 8 0 0.560997 -1.637038 0.003506 22 1 0 1.950334 -5.417311 0.641048 23 8 0 1.137067 -3.588253 0.804913 24 1 0 1.732618 -4.820366 2.273220 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.520008 0.000000 3 O 1.398026 2.417525 0.000000 4 N 5.477544 6.195644 6.049988 0.000000 5 C 4.114309 4.875134 4.731477 1.363297 0.000000 6 N 3.691485 4.403413 4.615592 2.270647 1.285269 7 C 2.451014 3.194194 3.556414 3.532666 2.292647 8 O 2.665540 3.183092 3.960218 4.532845 3.403665 9 N 1.467141 2.470257 2.287669 4.011536 2.648487 10 C 2.457689 3.336014 2.620197 3.564890 2.333140 11 C 3.697717 4.498545 3.942237 2.373789 1.424784 12 H 1.078022 2.148638 2.046504 5.840714 4.507290 13 H 2.149211 1.086393 2.706145 7.250958 5.916146 14 H 2.149155 1.081363 3.342718 6.052777 4.797363 15 C 6.388268 7.106041 6.740051 1.376991 2.444491 16 H 6.008616 6.686437 6.723630 0.997694 2.030277 17 H 2.595006 3.391972 2.215913 4.484313 3.343335 18 C 4.984204 5.724898 4.936653 2.796591 2.540764 19 H 2.151662 1.084910 2.666213 6.131996 4.872701 20 H 1.931276 2.609121 0.947421 6.979630 5.650558 21 O 7.538708 8.235146 7.915996 2.237132 3.506857 22 H 5.225942 6.139198 4.920250 3.535675 3.256739 23 O 6.135490 6.859846 6.239719 2.300757 2.782562 24 H 5.237869 5.736373 5.134690 3.539361 3.258502 6 7 8 9 10 6 N 0.000000 7 C 1.364831 0.000000 8 O 2.263176 1.197765 0.000000 9 N 2.364773 1.406091 2.245060 0.000000 10 C 2.737276 2.406320 3.476262 1.350957 0.000000 11 C 2.407804 2.785880 3.981588 2.348763 1.343213 12 H 3.845268 2.525295 2.339678 2.046548 3.227447 13 H 5.403391 4.128789 3.935794 3.405417 4.264887 14 H 4.122899 2.954616 2.690141 2.722784 3.755485 15 C 3.574306 4.734440 5.811254 4.940048 4.162406 16 H 2.444843 3.807365 4.622440 4.573067 4.357343 17 H 3.805962 3.345082 4.299827 2.056129 1.071177 18 C 3.752009 4.288104 5.484898 3.762531 2.526802 19 H 4.649048 3.640672 3.899111 2.739701 3.189417 20 H 5.448911 4.296786 4.504048 3.126839 3.561196 21 O 4.506254 5.757917 6.769101 6.081001 5.343663 22 H 4.399759 4.816072 5.993420 4.142439 2.871616 23 O 4.062011 4.960525 6.131260 4.783189 3.717482 24 H 4.401616 4.815139 5.982966 4.153730 2.882483 11 12 13 14 15 11 C 0.000000 12 H 4.342775 0.000000 13 H 5.496778 2.492202 0.000000 14 H 4.721226 2.474486 1.756179 0.000000 15 C 2.822959 6.871796 8.158967 7.084128 0.000000 16 H 3.277318 6.242938 7.734021 6.403133 2.023332 17 H 2.125365 3.497897 4.162964 4.069646 4.875360 18 C 1.505395 5.708427 6.683197 6.044880 2.452708 19 H 4.293207 3.045456 1.761454 1.770431 6.883737 20 H 4.888139 2.310254 2.496592 3.590866 7.687266 21 O 4.005234 7.981861 9.297147 8.152932 1.182485 22 H 2.152656 5.905420 7.010626 6.593525 3.111274 23 O 2.442543 6.762185 7.871292 7.024745 1.323088 24 H 2.153160 6.097179 6.670866 6.095763 3.114386 16 17 18 19 20 16 H 0.000000 17 H 5.339277 0.000000 18 C 3.793423 2.807602 0.000000 19 H 6.719460 3.072540 5.327983 0.000000 20 H 7.627827 3.095658 5.855845 2.953926 0.000000 21 O 2.437090 6.050214 3.520047 8.012989 8.862861 22 H 4.506673 2.899391 1.081487 5.787650 5.797469 23 O 3.182920 4.178110 1.420133 6.503225 7.175676 24 H 4.511372 2.922449 1.081540 5.149618 6.006588 21 22 23 24 21 O 0.000000 22 H 4.077644 0.000000 23 O 2.186629 2.008409 0.000000 24 H 4.081406 1.751493 2.007165 0.000000 Stoichiometry C8H9N3O4 Framework group C1[X(C8H9N3O4)] Deg. of freedom 66 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 3.016211 -0.273009 -0.202124 2 6 0 3.658024 -0.164605 1.171466 3 8 0 3.132497 -1.562451 -0.729659 4 7 0 -2.314714 0.972583 -0.019839 5 6 0 -0.987135 0.664466 -0.054124 6 7 0 -0.144883 1.632159 -0.132215 7 6 0 1.193083 1.364778 -0.165669 8 8 0 2.042549 2.208338 -0.203837 9 7 0 1.578090 0.012522 -0.149393 10 6 0 0.666991 -0.980945 -0.059914 11 6 0 -0.649122 -0.718683 -0.002583 12 1 0 3.440017 0.455653 -0.874114 13 1 0 4.724124 -0.360853 1.099578 14 1 0 3.523773 0.831547 1.570220 15 6 0 -3.356956 0.076535 0.063437 16 1 0 -2.569576 1.936429 -0.057799 17 1 0 1.063867 -1.975851 -0.051323 18 6 0 -1.732020 -1.760522 0.087522 19 1 0 3.220508 -0.890305 1.848938 20 1 0 4.048984 -1.772715 -0.845623 21 8 0 -4.483561 0.434872 0.088480 22 1 0 -1.710313 -2.431415 -0.760444 23 8 0 -3.039468 -1.206836 0.115606 24 1 0 -1.641420 -2.352797 0.987928 --------------------------------------------------------------------- Rotational constants (GHZ): 1.4886182 0.3590458 0.3023162 Standard basis: 6-31G(d) (6D, 7F) There are 243 symmetry adapted cartesian basis functions of A symmetry. There are 243 symmetry adapted basis functions of A symmetry. 243 basis functions, 456 primitive gaussians, 243 cartesian basis functions 55 alpha electrons 55 beta electrons nuclear repulsion energy 1024.9341162430 Hartrees. NAtoms= 24 NActive= 24 NUniq= 24 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. One-electron integrals computed using PRISM. NBasis= 243 RedAO= T EigKep= 8.43D-04 NBF= 243 NBsUse= 243 1.00D-06 EigRej= -1.00D+00 NBFU= 243 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 0.000000 0.000000 Rot= 1.000000 0.000244 -0.000006 0.000028 Ang= 0.03 deg. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. SCF Done: E(RHF) = -771.021428655 A.U. after 9 cycles NFock= 9 Conv=0.48D-08 -V/T= 2.0017 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 0.000049418 -0.000096588 0.000031564 2 6 -0.000023380 0.000001933 -0.000027692 3 8 -0.000002872 0.000009570 0.000019039 4 7 -0.000031118 0.000042466 -0.000010607 5 6 0.000015017 -0.000002210 -0.000009521 6 7 -0.000002060 -0.000004908 0.000001395 7 6 -0.000014161 0.000007349 -0.000003747 8 8 0.000000990 0.000021784 -0.000010661 9 7 -0.000066253 0.000051263 -0.000017540 10 6 0.000020803 0.000003619 0.000008732 11 6 -0.000000512 -0.000008053 0.000018964 12 1 -0.000002294 0.000013105 0.000002129 13 1 0.000003812 0.000000447 0.000006551 14 1 0.000003105 0.000011134 0.000003205 15 6 0.000057164 -0.000054754 0.000023137 16 1 0.000013771 -0.000008049 -0.000002723 17 1 -0.000007642 -0.000003218 0.000002385 18 6 0.000053148 -0.000042446 0.000001789 19 1 0.000001340 0.000001057 0.000004762 20 1 0.000013393 -0.000017639 -0.000016493 21 8 -0.000026501 0.000023030 -0.000007176 22 1 -0.000001024 0.000002605 -0.000006222 23 8 -0.000048210 0.000047755 -0.000006715 24 1 -0.000005934 0.000000746 -0.000004556 ------------------------------------------------------------------- Cartesian Forces: Max 0.000096588 RMS 0.000025245 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000081587 RMS 0.000013112 Search for a local minimum. Step number 11 out of a maximum of 134 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swapping is turned off. Update second derivatives using D2CorX and points 2 4 3 5 6 7 8 9 10 11 DE= -4.34D-07 DEPred=-3.91D-07 R= 1.11D+00 Trust test= 1.11D+00 RLast= 7.65D-03 DXMaxT set to 5.22D-01 ITU= 0 1 1 1 1 1 1 -1 1 1 0 Eigenvalues --- 0.00265 0.00383 0.00811 0.01265 0.01434 Eigenvalues --- 0.01616 0.01724 0.01837 0.01876 0.01918 Eigenvalues --- 0.02110 0.02526 0.02570 0.05200 0.05383 Eigenvalues --- 0.05571 0.05689 0.06986 0.07493 0.07710 Eigenvalues --- 0.08514 0.08698 0.12492 0.12934 0.15746 Eigenvalues --- 0.15990 0.16064 0.16152 0.16263 0.16450 Eigenvalues --- 0.18772 0.22193 0.23003 0.23766 0.24091 Eigenvalues --- 0.24862 0.24998 0.25295 0.26341 0.26466 Eigenvalues --- 0.29235 0.30717 0.32801 0.33647 0.33774 Eigenvalues --- 0.33814 0.33853 0.33894 0.34137 0.35297 Eigenvalues --- 0.37559 0.38710 0.42773 0.44292 0.44885 Eigenvalues --- 0.46221 0.47510 0.48701 0.48899 0.49956 Eigenvalues --- 0.50466 0.52456 0.58052 0.71501 0.88364 Eigenvalues --- 0.93980 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 11 10 9 8 7 6 5 RFO step: Lambda=-1.55796543D-07. DidBck=F Rises=F RFO-DIIS coefs: 1.50430 -0.42140 -0.14254 0.02407 0.02323 RFO-DIIS coefs: 0.01819 -0.00585 Iteration 1 RMS(Cart)= 0.00060135 RMS(Int)= 0.00000037 Iteration 2 RMS(Cart)= 0.00000022 RMS(Int)= 0.00000034 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87240 -0.00001 -0.00019 0.00012 -0.00007 2.87233 R2 2.64189 0.00000 -0.00011 0.00006 -0.00005 2.64184 R3 2.77249 0.00008 0.00035 -0.00008 0.00027 2.77276 R4 2.03717 0.00000 -0.00007 0.00007 0.00000 2.03717 R5 2.05299 0.00000 0.00001 0.00000 0.00001 2.05300 R6 2.04348 0.00001 0.00003 -0.00001 0.00003 2.04351 R7 2.05018 0.00000 -0.00002 0.00002 -0.00000 2.05018 R8 1.79037 0.00002 0.00000 0.00002 0.00002 1.79039 R9 2.57626 0.00001 0.00004 -0.00001 0.00003 2.57629 R10 2.60214 -0.00001 0.00003 -0.00005 -0.00002 2.60212 R11 1.88537 -0.00000 0.00002 -0.00003 -0.00000 1.88536 R12 2.42881 -0.00002 -0.00006 0.00002 -0.00004 2.42876 R13 2.69245 0.00001 0.00017 -0.00011 0.00006 2.69251 R14 2.57916 -0.00001 0.00005 -0.00005 0.00001 2.57917 R15 2.26345 0.00001 -0.00011 0.00010 -0.00001 2.26344 R16 2.65713 0.00003 0.00007 -0.00002 0.00004 2.65717 R17 2.55294 -0.00002 -0.00005 0.00003 -0.00002 2.55292 R18 2.53830 -0.00001 -0.00001 -0.00001 -0.00002 2.53829 R19 2.02423 0.00000 0.00006 -0.00004 0.00002 2.02425 R20 2.84478 -0.00001 0.00004 -0.00005 -0.00000 2.84478 R21 2.23457 0.00004 -0.00006 0.00010 0.00003 2.23461 R22 2.50027 -0.00001 -0.00011 0.00008 -0.00003 2.50024 R23 2.04371 0.00000 -0.00007 0.00006 -0.00001 2.04371 R24 2.68366 0.00005 0.00010 -0.00001 0.00009 2.68375 R25 2.04382 -0.00000 -0.00007 0.00005 -0.00002 2.04380 A1 1.95158 0.00001 0.00019 -0.00006 0.00013 1.95171 A2 1.94715 -0.00003 -0.00017 0.00002 -0.00015 1.94700 A3 1.92741 0.00001 0.00005 0.00001 0.00005 1.92747 A4 1.84897 0.00002 -0.00002 0.00006 0.00004 1.84901 A5 1.93425 -0.00000 0.00007 -0.00003 0.00004 1.93430 A6 1.85065 -0.00000 -0.00014 0.00000 -0.00013 1.85052 A7 1.91950 0.00001 0.00024 -0.00016 0.00008 1.91957 A8 1.92464 0.00000 -0.00008 0.00008 0.00000 1.92464 A9 1.92444 0.00001 0.00018 -0.00014 0.00005 1.92448 A10 1.88877 -0.00000 -0.00018 0.00012 -0.00006 1.88871 A11 1.89255 -0.00001 -0.00006 0.00002 -0.00004 1.89251 A12 1.91332 -0.00000 -0.00011 0.00008 -0.00003 1.91328 A13 1.90852 0.00002 -0.00006 0.00012 0.00006 1.90859 A14 2.20374 -0.00001 0.00014 -0.00016 -0.00002 2.20371 A15 2.05572 -0.00001 -0.00017 0.00009 -0.00008 2.05564 A16 2.02373 0.00002 0.00003 0.00008 0.00011 2.02383 A17 2.05953 -0.00001 -0.00012 0.00008 -0.00005 2.05948 A18 2.03702 0.00001 -0.00004 0.00007 0.00002 2.03704 A19 2.18663 -0.00000 0.00017 -0.00014 0.00002 2.18666 A20 2.09024 0.00000 0.00001 0.00000 0.00001 2.09026 A21 2.16284 -0.00003 0.00007 -0.00014 -0.00007 2.16277 A22 2.04491 0.00000 -0.00013 0.00011 -0.00002 2.04488 A23 2.07544 0.00003 0.00006 0.00003 0.00009 2.07553 A24 2.04333 0.00003 -0.00012 0.00016 0.00004 2.04337 A25 2.11804 -0.00002 0.00004 -0.00009 -0.00005 2.11799 A26 2.12155 -0.00000 0.00010 -0.00007 0.00002 2.12157 A27 2.11770 -0.00000 0.00011 -0.00010 0.00001 2.11771 A28 2.01937 0.00001 -0.00033 0.00031 -0.00002 2.01934 A29 2.14603 -0.00001 0.00022 -0.00021 0.00001 2.14605 A30 2.00474 0.00001 -0.00023 0.00021 -0.00003 2.00471 A31 2.09827 -0.00000 -0.00008 0.00005 -0.00002 2.09825 A32 2.18005 -0.00000 0.00031 -0.00026 0.00005 2.18010 A33 2.12376 -0.00001 0.00004 -0.00005 -0.00001 2.12375 A34 2.03975 0.00002 -0.00015 0.00018 0.00003 2.03978 A35 2.11967 -0.00001 0.00011 -0.00013 -0.00002 2.11965 A36 1.94760 0.00000 -0.00001 0.00006 0.00005 1.94766 A37 1.97537 -0.00000 -0.00001 0.00000 -0.00001 1.97536 A38 1.94826 0.00001 0.00000 0.00004 0.00004 1.94830 A39 1.85027 0.00000 -0.00017 0.00011 -0.00006 1.85021 A40 1.88742 0.00000 0.00020 -0.00012 0.00007 1.88750 A41 1.84852 -0.00001 -0.00002 -0.00009 -0.00011 1.84841 A42 2.21220 -0.00001 0.00014 -0.00014 -0.00000 2.21220 D1 1.09430 -0.00000 0.00017 -0.00011 0.00007 1.09437 D2 -3.10724 -0.00000 0.00005 -0.00000 0.00004 -3.10719 D3 -0.99190 -0.00000 -0.00002 0.00006 0.00003 -0.99187 D4 -3.12171 0.00001 0.00016 -0.00005 0.00011 -3.12160 D5 -1.04006 0.00001 0.00003 0.00005 0.00008 -1.03997 D6 1.07528 0.00001 -0.00004 0.00011 0.00007 1.07535 D7 -1.06821 -0.00001 -0.00009 -0.00003 -0.00012 -1.06833 D8 1.01344 -0.00001 -0.00022 0.00007 -0.00015 1.01329 D9 3.12877 -0.00001 -0.00028 0.00013 -0.00016 3.12862 D10 -1.08992 -0.00002 -0.00078 -0.00044 -0.00121 -1.09113 D11 3.06853 -0.00000 -0.00066 -0.00047 -0.00113 3.06740 D12 1.06874 -0.00001 -0.00053 -0.00049 -0.00102 1.06772 D13 1.43782 -0.00001 -0.00019 -0.00001 -0.00019 1.43763 D14 -1.67944 -0.00001 -0.00069 0.00011 -0.00059 -1.68003 D15 -2.71779 0.00000 -0.00007 -0.00003 -0.00010 -2.71789 D16 0.44813 0.00000 -0.00058 0.00008 -0.00049 0.44764 D17 -0.66137 0.00001 -0.00006 -0.00003 -0.00009 -0.66146 D18 2.50455 0.00001 -0.00057 0.00008 -0.00048 2.50406 D19 -3.14048 0.00000 -0.00006 0.00019 0.00013 -3.14034 D20 0.00341 0.00000 -0.00024 0.00016 -0.00008 0.00333 D21 0.00082 0.00000 0.00031 -0.00007 0.00023 0.00105 D22 -3.13848 0.00000 0.00013 -0.00011 0.00002 -3.13847 D23 3.14085 -0.00000 -0.00007 -0.00021 -0.00028 3.14057 D24 0.00038 -0.00000 -0.00014 -0.00018 -0.00031 0.00007 D25 -0.00044 -0.00000 -0.00043 0.00005 -0.00038 -0.00082 D26 -3.14091 -0.00000 -0.00050 0.00009 -0.00041 -3.14133 D27 3.13891 -0.00000 -0.00012 -0.00011 -0.00023 3.13868 D28 -0.00520 -0.00000 0.00008 -0.00007 0.00001 -0.00519 D29 3.12411 0.00000 0.00059 -0.00000 0.00059 3.12470 D30 -0.00184 0.00001 0.00052 0.00015 0.00067 -0.00118 D31 -0.01500 0.00000 0.00040 -0.00004 0.00036 -0.01465 D32 -3.14095 0.00001 0.00032 0.00011 0.00043 -3.14052 D33 -3.10750 -0.00000 -0.00075 0.00025 -0.00049 -3.10799 D34 0.03042 -0.00000 -0.00063 0.00011 -0.00051 0.02991 D35 3.12879 0.00000 0.00021 0.00007 0.00028 3.12907 D36 -0.03718 0.00000 0.00072 -0.00005 0.00068 -0.03651 D37 -0.01628 0.00000 0.00033 -0.00007 0.00026 -0.01602 D38 3.10093 0.00000 0.00084 -0.00018 0.00065 3.10158 D39 3.13366 0.00000 0.00028 -0.00018 0.00010 3.13376 D40 -0.02130 -0.00000 0.00030 -0.00018 0.00012 -0.02118 D41 0.01749 -0.00000 -0.00025 -0.00007 -0.00032 0.01718 D42 -3.13747 -0.00000 -0.00023 -0.00007 -0.00030 -3.13776 D43 0.00811 -0.00000 -0.00029 0.00011 -0.00019 0.00792 D44 3.13322 -0.00000 -0.00022 -0.00005 -0.00027 3.13295 D45 -3.11913 -0.00000 -0.00031 0.00010 -0.00021 -3.11934 D46 0.00598 -0.00000 -0.00023 -0.00005 -0.00029 0.00569 D47 2.08247 -0.00001 -0.00064 -0.00021 -0.00085 2.08162 D48 -0.00289 -0.00001 -0.00042 -0.00039 -0.00081 -0.00370 D49 -2.08646 -0.00000 -0.00039 -0.00030 -0.00069 -2.08715 D50 -1.04182 -0.00000 -0.00072 -0.00005 -0.00077 -1.04258 D51 -3.12717 -0.00001 -0.00050 -0.00023 -0.00073 -3.12790 D52 1.07244 0.00000 -0.00047 -0.00014 -0.00061 1.07183 D53 -0.00632 0.00000 0.00024 -0.00014 0.00010 -0.00621 D54 3.13640 0.00000 0.00017 -0.00010 0.00007 3.13647 D55 0.00735 0.00001 0.00003 0.00040 0.00043 0.00778 D56 -2.13306 0.00000 0.00016 0.00025 0.00041 -2.13265 D57 2.14737 0.00000 0.00002 0.00038 0.00040 2.14777 Item Value Threshold Converged? Maximum Force 0.000082 0.000450 YES RMS Force 0.000013 0.000300 YES Maximum Displacement 0.002688 0.001800 NO RMS Displacement 0.000601 0.001200 YES Predicted change in Energy=-7.752877D-08 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.962024 -5.039639 2.073204 2 6 0 7.332178 -4.739648 3.516571 3 8 0 6.609597 -6.380700 1.894993 4 7 0 2.732887 -1.976369 0.419154 5 6 0 3.785017 -2.734048 0.840542 6 7 0 4.958323 -2.210711 0.804107 7 6 0 6.036884 -2.935907 1.220730 8 8 0 7.156608 -2.511648 1.249939 9 7 0 5.798933 -4.256468 1.641026 10 6 0 4.551557 -4.774222 1.673400 11 6 0 3.485998 -4.053964 1.286090 12 1 0 7.768340 -4.764213 1.412803 13 1 0 8.206798 -5.316829 3.803215 14 1 0 7.566571 -3.690416 3.632980 15 6 0 1.411795 -2.363336 0.386810 16 1 0 2.924590 -1.050347 0.101156 17 1 0 4.477919 -5.787684 2.012387 18 6 0 2.065565 -4.552489 1.279055 19 1 0 6.513926 -5.005680 4.177418 20 1 0 7.353673 -6.930640 2.098820 21 8 0 0.560905 -1.636464 0.004768 22 1 0 1.950371 -5.417051 0.639626 23 8 0 1.137024 -3.588159 0.804929 24 1 0 1.732517 -4.821367 2.272278 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.519973 0.000000 3 O 1.398001 2.417580 0.000000 4 N 5.477691 6.195416 6.050216 0.000000 5 C 4.114436 4.875029 4.731616 1.363313 0.000000 6 N 3.691648 4.403200 4.615794 2.270610 1.285246 7 C 2.451181 3.194081 3.556576 3.532652 2.292639 8 O 2.665777 3.183148 3.960414 4.532773 3.403630 9 N 1.467282 2.470218 2.287802 4.011540 2.648470 10 C 2.457771 3.336214 2.620192 3.564923 2.333141 11 C 3.697818 4.498701 3.942250 2.373848 1.424816 12 H 1.078023 2.148646 2.046514 5.840822 4.507318 13 H 2.149241 1.086400 2.706323 7.250810 5.916109 14 H 2.149135 1.081377 3.342757 6.052366 4.797134 15 C 6.388393 7.105857 6.740251 1.376981 2.444480 16 H 6.008685 6.686017 6.723823 0.997692 2.030240 17 H 2.595004 3.392306 2.215739 4.484379 3.343356 18 C 4.984306 5.725270 4.936595 2.796630 2.540775 19 H 2.151665 1.084909 2.666326 6.131682 4.872576 20 H 1.931303 2.609776 0.947433 6.979810 5.650660 21 O 7.538856 8.234843 7.916275 2.237131 3.506865 22 H 5.226304 6.139995 4.920667 3.535425 3.256501 23 O 6.135629 6.859946 6.239839 2.300754 2.782560 24 H 5.237845 5.736824 5.134178 3.539608 3.258761 6 7 8 9 10 6 N 0.000000 7 C 1.364836 0.000000 8 O 2.263136 1.197761 0.000000 9 N 2.364779 1.406112 2.245134 0.000000 10 C 2.737284 2.406348 3.476327 1.350949 0.000000 11 C 2.407827 2.785918 3.981635 2.348755 1.343204 12 H 3.845397 2.525378 2.339827 2.046572 3.227337 13 H 5.403260 4.128747 3.935881 3.405473 4.265129 14 H 4.122500 2.954348 2.690065 2.722653 3.755648 15 C 3.574255 4.734418 5.811185 4.940039 4.162426 16 H 2.444720 3.807250 4.622238 4.572992 4.357318 17 H 3.805978 3.345105 4.299897 2.056115 1.071186 18 C 3.752007 4.288137 5.484943 3.762537 2.526822 19 H 4.648761 3.640540 3.899150 2.739675 3.189760 20 H 5.449011 4.296845 4.504101 3.126978 3.561317 21 O 4.506216 5.757904 6.769024 6.081011 5.343703 22 H 4.399483 4.815947 5.993226 4.142606 2.871949 23 O 4.061982 4.960540 6.131257 4.783209 3.717530 24 H 4.401918 4.815423 5.983373 4.153713 2.882337 11 12 13 14 15 11 C 0.000000 12 H 4.342690 0.000000 13 H 5.496972 2.492328 0.000000 14 H 4.721348 2.474456 1.756157 0.000000 15 C 2.822986 6.871866 8.158862 7.083786 0.000000 16 H 3.277340 6.243007 7.733682 6.402478 2.023385 17 H 2.125371 3.497694 4.163329 4.069966 4.875426 18 C 1.505393 5.708271 6.683588 6.045262 2.452734 19 H 4.293470 3.045481 1.761436 1.770421 6.883490 20 H 4.888221 2.309973 2.497433 3.591381 7.687468 21 O 4.005279 7.982011 9.296933 8.152422 1.182502 22 H 2.152690 5.905317 7.011507 6.594174 3.111134 23 O 2.442575 6.762172 7.871451 7.024771 1.323070 24 H 2.153178 6.096977 6.671250 6.096454 3.114445 16 17 18 19 20 16 H 0.000000 17 H 5.339288 0.000000 18 C 3.793464 2.807657 0.000000 19 H 6.718921 3.073144 5.328584 0.000000 20 H 7.627928 3.095768 5.855913 2.954863 0.000000 21 O 2.437176 6.050303 3.520087 8.012558 8.863129 22 H 4.506346 2.900059 1.081484 5.788889 5.797920 23 O 3.182951 4.178211 1.420182 6.503394 7.175867 24 H 4.511696 2.922079 1.081530 5.150282 6.006374 21 22 23 24 21 O 0.000000 22 H 4.077560 0.000000 23 O 2.186615 2.008408 0.000000 24 H 4.081407 1.751528 2.007119 0.000000 Stoichiometry C8H9N3O4 Framework group C1[X(C8H9N3O4)] Deg. of freedom 66 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 3.016349 -0.273176 -0.201793 2 6 0 3.657883 -0.164001 1.171828 3 8 0 3.132689 -1.562828 -0.728737 4 7 0 -2.314689 0.972607 -0.019680 5 6 0 -0.987122 0.664410 -0.054377 6 7 0 -0.144888 1.632089 -0.132460 7 6 0 1.193082 1.364721 -0.166051 8 8 0 2.042463 2.208337 -0.204711 9 7 0 1.578094 0.012450 -0.149278 10 6 0 0.666989 -0.981017 -0.059987 11 6 0 -0.649133 -0.718783 -0.002965 12 1 0 3.440093 0.455239 -0.874092 13 1 0 4.724028 -0.360176 1.100321 14 1 0 3.523485 0.832365 1.570034 15 6 0 -3.356930 0.076594 0.063805 16 1 0 -2.569427 1.936486 -0.057563 17 1 0 1.063900 -1.975917 -0.051265 18 6 0 -1.732093 -1.760602 0.086586 19 1 0 3.220316 -0.889349 1.849643 20 1 0 4.049152 -1.772810 -0.845490 21 8 0 -4.483517 0.434999 0.089491 22 1 0 -1.710697 -2.430855 -0.761890 23 8 0 -3.039531 -1.206804 0.115382 24 1 0 -1.641446 -2.353510 0.986559 --------------------------------------------------------------------- Rotational constants (GHZ): 1.4885367 0.3590439 0.3023110 Standard basis: 6-31G(d) (6D, 7F) There are 243 symmetry adapted cartesian basis functions of A symmetry. There are 243 symmetry adapted basis functions of A symmetry. 243 basis functions, 456 primitive gaussians, 243 cartesian basis functions 55 alpha electrons 55 beta electrons nuclear repulsion energy 1024.9250950158 Hartrees. NAtoms= 24 NActive= 24 NUniq= 24 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. One-electron integrals computed using PRISM. NBasis= 243 RedAO= T EigKep= 8.43D-04 NBF= 243 NBsUse= 243 1.00D-06 EigRej= -1.00D+00 NBFU= 243 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 -0.000000 -0.000000 Rot= 1.000000 0.000054 0.000004 -0.000001 Ang= 0.01 deg. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. SCF Done: E(RHF) = -771.021428763 A.U. after 8 cycles NFock= 8 Conv=0.48D-08 -V/T= 2.0017 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 -0.000004346 -0.000018217 -0.000009859 2 6 -0.000003119 0.000002378 0.000001717 3 8 0.000000756 0.000002972 0.000025046 4 7 -0.000007424 0.000011464 -0.000019327 5 6 -0.000025545 -0.000011957 0.000009916 6 7 0.000018731 -0.000006104 0.000002466 7 6 -0.000024992 -0.000000471 -0.000013995 8 8 0.000009191 0.000001628 0.000006239 9 7 -0.000003527 0.000013553 -0.000010032 10 6 0.000021289 -0.000008236 0.000018012 11 6 -0.000005031 0.000022842 0.000000762 12 1 0.000007013 0.000004678 0.000007330 13 1 -0.000000989 -0.000003053 -0.000001809 14 1 -0.000001572 0.000002969 -0.000002500 15 6 0.000027847 -0.000020280 0.000000653 16 1 0.000000588 -0.000002136 0.000002157 17 1 -0.000009996 0.000003185 -0.000001281 18 6 0.000026500 -0.000013065 -0.000006268 19 1 -0.000001869 -0.000001210 -0.000000755 20 1 0.000005984 -0.000003873 -0.000015858 21 8 -0.000008072 0.000009261 -0.000002676 22 1 0.000004044 -0.000002323 -0.000003301 23 8 -0.000026452 0.000028568 0.000015049 24 1 0.000000990 -0.000012574 -0.000001687 ------------------------------------------------------------------- Cartesian Forces: Max 0.000028568 RMS 0.000011999 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000025799 RMS 0.000005805 Search for a local minimum. Step number 12 out of a maximum of 134 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swapping is turned off. Update second derivatives using D2CorX and points 2 4 3 5 6 7 8 9 10 11 12 DE= -1.09D-07 DEPred=-7.75D-08 R= 1.40D+00 Trust test= 1.40D+00 RLast= 3.55D-03 DXMaxT set to 5.22D-01 ITU= 0 0 1 1 1 1 1 1 -1 1 1 0 Eigenvalues --- 0.00266 0.00294 0.00550 0.01252 0.01362 Eigenvalues --- 0.01615 0.01757 0.01860 0.01874 0.01986 Eigenvalues --- 0.02107 0.02522 0.02577 0.05267 0.05406 Eigenvalues --- 0.05575 0.05729 0.06975 0.07640 0.07725 Eigenvalues --- 0.08675 0.08833 0.12646 0.12940 0.15986 Eigenvalues --- 0.16000 0.16061 0.16241 0.16318 0.16679 Eigenvalues --- 0.19017 0.22298 0.22984 0.23752 0.24300 Eigenvalues --- 0.24915 0.25010 0.25624 0.26420 0.26689 Eigenvalues --- 0.29169 0.32227 0.32795 0.33635 0.33799 Eigenvalues --- 0.33814 0.33864 0.33945 0.34359 0.34818 Eigenvalues --- 0.37992 0.38847 0.42875 0.44375 0.45041 Eigenvalues --- 0.46852 0.47438 0.48686 0.48893 0.49128 Eigenvalues --- 0.50531 0.52287 0.58361 0.72698 0.88534 Eigenvalues --- 0.92848 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 12 11 10 9 8 7 6 5 RFO step: Lambda=-1.43289588D-07. DIIS inversion failure, remove point 8. DIIS inversion failure, remove point 7. DIIS inversion failure, remove point 6. DIIS inversion failure, remove point 5. RFO-DIIS uses 4 points instead of 8 DidBck=F Rises=F RFO-DIIS coefs: 2.89532 -2.00000 0.05273 0.05195 0.00000 RFO-DIIS coefs: 0.00000 0.00000 0.00000 Iteration 1 RMS(Cart)= 0.00087683 RMS(Int)= 0.00000047 Iteration 2 RMS(Cart)= 0.00000058 RMS(Int)= 0.00000010 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87233 -0.00000 -0.00010 -0.00000 -0.00010 2.87223 R2 2.64184 -0.00000 -0.00008 -0.00001 -0.00009 2.64175 R3 2.77276 0.00001 0.00048 -0.00023 0.00025 2.77301 R4 2.03717 0.00000 0.00002 -0.00002 0.00000 2.03717 R5 2.05300 0.00000 0.00003 -0.00002 0.00001 2.05301 R6 2.04351 0.00000 0.00005 -0.00002 0.00003 2.04353 R7 2.05018 0.00000 0.00000 -0.00001 -0.00000 2.05018 R8 1.79039 0.00000 0.00005 -0.00003 0.00002 1.79040 R9 2.57629 0.00000 0.00005 -0.00002 0.00003 2.57632 R10 2.60212 -0.00001 -0.00005 0.00001 -0.00004 2.60207 R11 1.88536 -0.00000 -0.00002 0.00001 -0.00001 1.88536 R12 2.42876 0.00001 -0.00005 0.00002 -0.00002 2.42874 R13 2.69251 -0.00001 0.00006 -0.00004 0.00002 2.69254 R14 2.57917 -0.00001 -0.00003 0.00003 0.00000 2.57917 R15 2.26344 0.00001 0.00001 -0.00002 -0.00001 2.26343 R16 2.65717 -0.00000 0.00012 -0.00013 -0.00001 2.65716 R17 2.55292 -0.00001 -0.00006 0.00002 -0.00003 2.55289 R18 2.53829 0.00001 -0.00001 0.00001 0.00000 2.53829 R19 2.02425 -0.00000 0.00003 -0.00002 0.00001 2.02426 R20 2.84478 -0.00001 -0.00003 -0.00001 -0.00004 2.84474 R21 2.23461 0.00001 0.00008 -0.00006 0.00003 2.23464 R22 2.50024 0.00000 -0.00006 0.00002 -0.00004 2.50020 R23 2.04371 0.00000 -0.00000 0.00000 -0.00000 2.04371 R24 2.68375 0.00003 0.00021 -0.00005 0.00016 2.68391 R25 2.04380 0.00000 -0.00002 0.00001 -0.00002 2.04378 A1 1.95171 -0.00000 0.00023 -0.00015 0.00007 1.95179 A2 1.94700 -0.00001 -0.00027 0.00007 -0.00020 1.94680 A3 1.92747 0.00000 0.00008 -0.00005 0.00003 1.92749 A4 1.84901 0.00001 0.00011 -0.00006 0.00005 1.84906 A5 1.93430 0.00000 0.00008 0.00003 0.00011 1.93441 A6 1.85052 0.00000 -0.00026 0.00019 -0.00007 1.85044 A7 1.91957 -0.00000 0.00012 -0.00007 0.00006 1.91963 A8 1.92464 -0.00000 -0.00001 -0.00002 -0.00004 1.92460 A9 1.92448 -0.00000 0.00008 -0.00005 0.00003 1.92451 A10 1.88871 0.00000 -0.00009 0.00008 -0.00001 1.88870 A11 1.89251 0.00000 -0.00006 0.00004 -0.00003 1.89249 A12 1.91328 0.00000 -0.00005 0.00003 -0.00002 1.91326 A13 1.90859 0.00001 0.00016 -0.00012 0.00004 1.90862 A14 2.20371 -0.00001 -0.00009 0.00005 -0.00004 2.20368 A15 2.05564 0.00000 -0.00013 0.00007 -0.00006 2.05558 A16 2.02383 0.00001 0.00022 -0.00012 0.00010 2.02393 A17 2.05948 0.00000 -0.00008 0.00005 -0.00003 2.05946 A18 2.03704 0.00001 0.00008 -0.00004 0.00004 2.03708 A19 2.18666 -0.00001 0.00000 -0.00001 -0.00001 2.18664 A20 2.09026 0.00000 0.00003 -0.00001 0.00002 2.09028 A21 2.16277 0.00000 -0.00011 0.00011 0.00000 2.16277 A22 2.04488 0.00001 -0.00003 0.00002 -0.00001 2.04487 A23 2.07553 -0.00001 0.00014 -0.00013 0.00001 2.07554 A24 2.04337 0.00000 0.00011 -0.00009 0.00002 2.04339 A25 2.11799 -0.00000 -0.00012 0.00009 -0.00003 2.11796 A26 2.12157 -0.00000 0.00002 0.00000 0.00002 2.12159 A27 2.11771 -0.00000 0.00001 0.00000 0.00001 2.11772 A28 2.01934 0.00001 0.00004 -0.00002 0.00002 2.01937 A29 2.14605 -0.00001 -0.00005 0.00002 -0.00003 2.14601 A30 2.00471 0.00001 -0.00000 -0.00000 -0.00001 2.00471 A31 2.09825 0.00000 -0.00002 0.00002 -0.00001 2.09825 A32 2.18010 -0.00001 0.00002 -0.00001 0.00001 2.18011 A33 2.12375 -0.00001 -0.00004 0.00001 -0.00003 2.12373 A34 2.03978 0.00001 0.00009 -0.00006 0.00004 2.03982 A35 2.11965 -0.00000 -0.00005 0.00004 -0.00001 2.11964 A36 1.94766 -0.00000 0.00011 -0.00010 0.00001 1.94767 A37 1.97536 -0.00000 -0.00003 0.00000 -0.00002 1.97533 A38 1.94830 -0.00000 0.00009 -0.00007 0.00002 1.94832 A39 1.85021 0.00001 -0.00007 0.00005 -0.00002 1.85019 A40 1.88750 -0.00000 0.00010 -0.00009 0.00001 1.88751 A41 1.84841 0.00000 -0.00022 0.00022 0.00000 1.84841 A42 2.21220 -0.00001 -0.00003 0.00002 -0.00002 2.21218 D1 1.09437 -0.00000 0.00008 -0.00006 0.00002 1.09438 D2 -3.10719 -0.00000 0.00004 -0.00002 0.00002 -3.10717 D3 -0.99187 -0.00000 0.00003 -0.00003 -0.00001 -0.99187 D4 -3.12160 0.00000 0.00019 -0.00019 -0.00000 -3.12160 D5 -1.03997 0.00000 0.00016 -0.00015 0.00000 -1.03997 D6 1.07535 0.00000 0.00014 -0.00017 -0.00002 1.07533 D7 -1.06833 -0.00000 -0.00025 0.00005 -0.00020 -1.06853 D8 1.01329 -0.00000 -0.00028 0.00009 -0.00019 1.01310 D9 3.12862 -0.00000 -0.00030 0.00008 -0.00022 3.12840 D10 -1.09113 -0.00001 -0.00207 -0.00028 -0.00235 -1.09348 D11 3.06740 -0.00000 -0.00194 -0.00024 -0.00218 3.06522 D12 1.06772 -0.00001 -0.00174 -0.00044 -0.00218 1.06554 D13 1.43763 0.00000 -0.00027 0.00028 0.00001 1.43764 D14 -1.68003 0.00000 -0.00065 0.00033 -0.00032 -1.68035 D15 -2.71789 -0.00000 -0.00008 0.00010 0.00002 -2.71787 D16 0.44764 -0.00000 -0.00046 0.00014 -0.00031 0.44733 D17 -0.66146 0.00000 -0.00006 0.00019 0.00014 -0.66133 D18 2.50406 0.00001 -0.00043 0.00024 -0.00020 2.50387 D19 -3.14034 0.00000 0.00030 0.00018 0.00048 -3.13986 D20 0.00333 0.00000 -0.00003 0.00041 0.00038 0.00371 D21 0.00105 -0.00000 0.00036 -0.00027 0.00009 0.00114 D22 -3.13847 0.00000 0.00002 -0.00004 -0.00001 -3.13848 D23 3.14057 -0.00000 -0.00055 -0.00018 -0.00073 3.13984 D24 0.00007 -0.00000 -0.00061 -0.00015 -0.00076 -0.00069 D25 -0.00082 -0.00000 -0.00061 0.00026 -0.00035 -0.00117 D26 -3.14133 0.00000 -0.00066 0.00029 -0.00037 3.14149 D27 3.13868 0.00000 -0.00044 0.00024 -0.00021 3.13847 D28 -0.00519 -0.00000 -0.00008 -0.00002 -0.00009 -0.00528 D29 3.12470 -0.00000 0.00083 -0.00018 0.00065 3.12534 D30 -0.00118 0.00000 0.00109 -0.00021 0.00088 -0.00029 D31 -0.01465 0.00000 0.00047 0.00007 0.00053 -0.01412 D32 -3.14052 0.00000 0.00073 0.00004 0.00077 -3.13975 D33 -3.10799 0.00000 -0.00048 0.00004 -0.00044 -3.10843 D34 0.02991 -0.00000 -0.00053 -0.00001 -0.00054 0.02937 D35 3.12907 0.00000 0.00040 0.00003 0.00042 3.12949 D36 -0.03651 0.00000 0.00077 -0.00002 0.00076 -0.03575 D37 -0.01602 -0.00000 0.00035 -0.00002 0.00033 -0.01569 D38 3.10158 -0.00000 0.00072 -0.00006 0.00066 3.10225 D39 3.13376 -0.00000 0.00001 0.00002 0.00003 3.13379 D40 -0.02118 -0.00000 0.00002 -0.00004 -0.00001 -0.02119 D41 0.01718 0.00000 -0.00038 0.00007 -0.00031 0.01686 D42 -3.13776 -0.00000 -0.00037 0.00001 -0.00036 -3.13812 D43 0.00792 -0.00000 -0.00022 -0.00009 -0.00030 0.00762 D44 3.13295 -0.00000 -0.00049 -0.00006 -0.00055 3.13240 D45 -3.11934 -0.00000 -0.00023 -0.00002 -0.00025 -3.11959 D46 0.00569 -0.00000 -0.00051 0.00000 -0.00050 0.00519 D47 2.08162 -0.00000 -0.00147 -0.00020 -0.00167 2.07995 D48 -0.00370 -0.00001 -0.00144 -0.00020 -0.00163 -0.00533 D49 -2.08715 -0.00001 -0.00120 -0.00043 -0.00163 -2.08878 D50 -1.04258 -0.00000 -0.00118 -0.00022 -0.00141 -1.04399 D51 -3.12790 -0.00000 -0.00115 -0.00022 -0.00137 -3.12927 D52 1.07183 -0.00001 -0.00091 -0.00046 -0.00137 1.07047 D53 -0.00621 -0.00000 0.00013 -0.00035 -0.00022 -0.00644 D54 3.13647 -0.00000 0.00008 -0.00032 -0.00025 3.13622 D55 0.00778 0.00001 0.00084 0.00050 0.00134 0.00912 D56 -2.13265 0.00001 0.00077 0.00059 0.00135 -2.13130 D57 2.14777 0.00001 0.00078 0.00057 0.00134 2.14911 Item Value Threshold Converged? Maximum Force 0.000026 0.000450 YES RMS Force 0.000006 0.000300 YES Maximum Displacement 0.003937 0.001800 NO RMS Displacement 0.000877 0.001200 YES Predicted change in Energy=-6.880055D-08 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.961977 -5.039874 2.073641 2 6 0 7.332054 -4.739013 3.516792 3 8 0 6.609390 -6.380943 1.896170 4 7 0 2.732943 -1.976306 0.419360 5 6 0 3.785076 -2.734235 0.840345 6 7 0 4.958434 -2.211060 0.803668 7 6 0 6.037001 -2.936363 1.220096 8 8 0 7.156837 -2.512371 1.248653 9 7 0 5.798879 -4.256659 1.641109 10 6 0 4.551492 -4.774335 1.673517 11 6 0 3.485997 -4.054150 1.285892 12 1 0 7.768275 -4.764782 1.413079 13 1 0 8.206593 -5.316084 3.803921 14 1 0 7.566545 -3.689713 3.632511 15 6 0 1.411746 -2.362905 0.387825 16 1 0 2.924782 -1.050302 0.101401 17 1 0 4.477752 -5.787712 2.012752 18 6 0 2.065643 -4.552824 1.278229 19 1 0 6.513738 -5.004503 4.177775 20 1 0 7.353981 -6.930803 2.098368 21 8 0 0.560769 -1.635591 0.006774 22 1 0 1.950491 -5.416460 0.637543 23 8 0 1.136931 -3.587845 0.805510 24 1 0 1.732673 -4.823165 2.271069 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.519921 0.000000 3 O 1.397956 2.417559 0.000000 4 N 5.477848 6.195034 6.050507 0.000000 5 C 4.114570 4.874787 4.731806 1.363330 0.000000 6 N 3.691775 4.402915 4.615966 2.270597 1.285234 7 C 2.451301 3.193981 3.556661 3.532660 2.292647 8 O 2.665867 3.183251 3.960407 4.532762 3.403632 9 N 1.467415 2.470116 2.287918 4.011564 2.648471 10 C 2.457855 3.336231 2.620250 3.564968 2.333147 11 C 3.697923 4.498678 3.942333 2.373900 1.424828 12 H 1.078023 2.148619 2.046550 5.841031 4.507440 13 H 2.149239 1.086404 2.706380 7.250532 5.915956 14 H 2.149072 1.081391 3.342715 6.051761 4.796732 15 C 6.388520 7.105375 6.740566 1.376958 2.444454 16 H 6.008773 6.685471 6.724081 0.997689 2.030215 17 H 2.595061 3.392483 2.215715 4.484425 3.343361 18 C 4.984374 5.725462 4.936548 2.796675 2.540759 19 H 2.151638 1.084908 2.666356 6.131074 4.872181 20 H 1.931292 2.610814 0.947441 6.979978 5.650741 21 O 7.539001 8.234182 7.916691 2.237108 3.506853 22 H 5.226776 6.140865 4.921352 3.534755 3.255943 23 O 6.135772 6.859721 6.240091 2.300744 2.782541 24 H 5.237514 5.736895 5.133185 3.540335 3.259288 6 7 8 9 10 6 N 0.000000 7 C 1.364839 0.000000 8 O 2.263134 1.197756 0.000000 9 N 2.364769 1.406106 2.245131 0.000000 10 C 2.737265 2.406339 3.476322 1.350931 0.000000 11 C 2.407819 2.785928 3.981650 2.348747 1.343204 12 H 3.845528 2.525405 2.339711 2.046633 3.227323 13 H 5.403076 4.128723 3.936012 3.405469 4.265194 14 H 4.122016 2.954113 2.690125 2.722453 3.755611 15 C 3.574210 4.734396 5.811147 4.940036 4.162451 16 H 2.444643 3.807179 4.622134 4.572949 4.357310 17 H 3.805966 3.345108 4.299907 2.056117 1.071191 18 C 3.751973 4.288124 5.484941 3.762505 2.526809 19 H 4.648322 3.640377 3.899238 2.739519 3.189780 20 H 5.448932 4.296666 4.503712 3.127055 3.561572 21 O 4.506180 5.757888 6.768982 6.081023 5.343745 22 H 4.398853 4.815580 5.992765 4.142750 2.872415 23 O 4.061948 4.960544 6.131255 4.783231 3.717582 24 H 4.402487 4.815786 5.983866 4.153530 2.881873 11 12 13 14 15 11 C 0.000000 12 H 4.342704 0.000000 13 H 5.496996 2.492425 0.000000 14 H 4.721261 2.474338 1.756168 0.000000 15 C 2.823003 6.872089 8.158487 7.083075 0.000000 16 H 3.277359 6.243179 7.733245 6.401655 2.023423 17 H 2.125357 3.497647 4.163528 4.070118 4.875457 18 C 1.505370 5.708162 6.683782 6.045455 2.452783 19 H 4.293410 3.045468 1.761422 1.770421 6.882737 20 H 4.888409 2.309308 2.498634 3.592136 7.687769 21 O 4.005313 7.982335 9.296396 8.151459 1.182518 22 H 2.152679 5.905315 7.012477 6.594812 3.110756 23 O 2.442605 6.762325 7.871302 7.024404 1.323050 24 H 2.153161 6.096560 6.671149 6.096909 3.114880 16 17 18 19 20 16 H 0.000000 17 H 5.339291 0.000000 18 C 3.793508 2.807622 0.000000 19 H 6.718120 3.073430 5.328877 0.000000 20 H 7.627973 3.096236 5.856101 2.956445 0.000000 21 O 2.437226 6.050356 3.520155 8.011532 8.863507 22 H 4.505555 2.901047 1.081483 5.790179 5.798701 23 O 3.182971 4.178269 1.420265 6.503010 7.176249 24 H 4.512546 2.921050 1.081520 5.150435 6.005918 21 22 23 24 21 O 0.000000 22 H 4.077275 0.000000 23 O 2.186604 2.008464 0.000000 24 H 4.081791 1.751529 2.007184 0.000000 Stoichiometry C8H9N3O4 Framework group C1[X(C8H9N3O4)] Deg. of freedom 66 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 3.016509 -0.273276 -0.201244 2 6 0 3.657422 -0.163522 1.172562 3 8 0 3.133044 -1.563073 -0.727669 4 7 0 -2.314686 0.972613 -0.019739 5 6 0 -0.987127 0.664346 -0.054774 6 7 0 -0.144890 1.632004 -0.132878 7 6 0 1.193082 1.364646 -0.166562 8 8 0 2.042438 2.208259 -0.205689 9 7 0 1.578111 0.012395 -0.149178 10 6 0 0.667007 -0.981069 -0.060107 11 6 0 -0.649142 -0.718867 -0.003535 12 1 0 3.440364 0.455000 -0.873625 13 1 0 4.723614 -0.359684 1.101658 14 1 0 3.522795 0.833026 1.570276 15 6 0 -3.356889 0.076648 0.064358 16 1 0 -2.569320 1.936521 -0.057489 17 1 0 1.063909 -1.975976 -0.051220 18 6 0 -1.732129 -1.760706 0.085063 19 1 0 3.219588 -0.888579 1.850513 20 1 0 4.049484 -1.772355 -0.845926 21 8 0 -4.483442 0.435139 0.091040 22 1 0 -1.711260 -2.429716 -0.764406 23 8 0 -3.039568 -1.206773 0.115332 24 1 0 -1.641088 -2.354925 0.984118 --------------------------------------------------------------------- Rotational constants (GHZ): 1.4884636 0.3590439 0.3023120 Standard basis: 6-31G(d) (6D, 7F) There are 243 symmetry adapted cartesian basis functions of A symmetry. There are 243 symmetry adapted basis functions of A symmetry. 243 basis functions, 456 primitive gaussians, 243 cartesian basis functions 55 alpha electrons 55 beta electrons nuclear repulsion energy 1024.9213926857 Hartrees. NAtoms= 24 NActive= 24 NUniq= 24 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. One-electron integrals computed using PRISM. NBasis= 243 RedAO= T EigKep= 8.43D-04 NBF= 243 NBsUse= 243 1.00D-06 EigRej= -1.00D+00 NBFU= 243 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 0.000000 -0.000000 Rot= 1.000000 0.000032 0.000011 -0.000004 Ang= 0.00 deg. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. SCF Done: E(RHF) = -771.021428901 A.U. after 8 cycles NFock= 8 Conv=0.51D-08 -V/T= 2.0017 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 -0.000065089 0.000061515 -0.000036007 2 6 0.000019304 0.000007731 0.000033782 3 8 0.000002790 -0.000019317 0.000019122 4 7 0.000030125 -0.000019812 -0.000022941 5 6 -0.000042533 -0.000020681 0.000004792 6 7 0.000036211 0.000003991 0.000005422 7 6 -0.000036020 -0.000006378 -0.000012535 8 8 0.000019521 0.000008036 0.000010610 9 7 0.000052440 -0.000034443 -0.000004954 10 6 0.000013394 -0.000016395 0.000017809 11 6 -0.000001115 0.000045438 -0.000001102 12 1 0.000007274 -0.000005997 0.000004506 13 1 -0.000004761 -0.000003550 -0.000006674 14 1 -0.000002917 -0.000004977 -0.000001376 15 6 -0.000003562 0.000012823 -0.000023190 16 1 -0.000010633 0.000004705 0.000008567 17 1 -0.000007036 0.000004507 -0.000002255 18 6 -0.000007581 0.000013510 -0.000036079 19 1 -0.000002393 -0.000003078 -0.000004649 20 1 -0.000001779 0.000004109 -0.000013777 21 8 0.000003174 -0.000004879 -0.000001081 22 1 0.000003867 -0.000004583 -0.000005771 23 8 0.000003938 -0.000012662 0.000070828 24 1 -0.000006618 -0.000009610 -0.000003047 ------------------------------------------------------------------- Cartesian Forces: Max 0.000070828 RMS 0.000021852 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000058648 RMS 0.000009401 Search for a local minimum. Step number 13 out of a maximum of 134 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swapping is turned off. Update second derivatives using D2CorX and points 2 4 3 5 6 7 8 9 10 11 12 13 DE= -1.38D-07 DEPred=-6.88D-08 R= 2.00D+00 Trust test= 2.00D+00 RLast= 6.45D-03 DXMaxT set to 5.22D-01 ITU= 0 0 0 1 1 1 1 1 1 -1 1 1 0 Eigenvalues --- 0.00076 0.00266 0.00431 0.01199 0.01385 Eigenvalues --- 0.01619 0.01785 0.01873 0.01895 0.02015 Eigenvalues --- 0.02284 0.02564 0.02590 0.05421 0.05576 Eigenvalues --- 0.05626 0.05812 0.07082 0.07610 0.07729 Eigenvalues --- 0.08535 0.08774 0.12693 0.12958 0.15905 Eigenvalues --- 0.16005 0.16095 0.16277 0.16353 0.16678 Eigenvalues --- 0.19728 0.22328 0.23185 0.23690 0.23908 Eigenvalues --- 0.24623 0.24986 0.25094 0.26469 0.26839 Eigenvalues --- 0.29649 0.31848 0.32841 0.33700 0.33807 Eigenvalues --- 0.33819 0.33875 0.34001 0.34092 0.35065 Eigenvalues --- 0.38634 0.41499 0.43093 0.44878 0.45754 Eigenvalues --- 0.46440 0.47761 0.48901 0.49178 0.50333 Eigenvalues --- 0.51872 0.57630 0.64983 0.81060 0.89719 Eigenvalues --- 0.97314 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 13 12 11 10 9 8 7 6 5 RFO step: Lambda=-5.51890659D-07. DIIS inversion failure, remove point 9. DIIS inversion failure, remove point 8. DIIS inversion failure, remove point 7. DIIS inversion failure, remove point 6. DIIS inversion failure, remove point 5. DIIS inversion failure, remove point 4. DIIS inversion failure, remove point 3. RFO-DIIS uses 2 points instead of 9 DidBck=F Rises=F RFO-DIIS coefs: 3.00000 -2.00000 0.00000 0.00000 0.00000 RFO-DIIS coefs: 0.00000 0.00000 0.00000 0.00000 Iteration 1 RMS(Cart)= 0.00337858 RMS(Int)= 0.00000715 Iteration 2 RMS(Cart)= 0.00000884 RMS(Int)= 0.00000122 Iteration 3 RMS(Cart)= 0.00000000 RMS(Int)= 0.00000122 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87223 0.00002 -0.00020 -0.00002 -0.00022 2.87202 R2 2.64175 0.00001 -0.00017 -0.00005 -0.00023 2.64153 R3 2.77301 -0.00006 0.00050 0.00025 0.00075 2.77376 R4 2.03717 0.00000 0.00000 -0.00001 -0.00001 2.03716 R5 2.05301 -0.00000 0.00002 0.00001 0.00002 2.05303 R6 2.04353 -0.00001 0.00005 0.00003 0.00009 2.04362 R7 2.05018 -0.00000 -0.00000 0.00000 -0.00000 2.05018 R8 1.79040 -0.00001 0.00003 0.00003 0.00006 1.79046 R9 2.57632 -0.00001 0.00006 0.00004 0.00010 2.57642 R10 2.60207 0.00001 -0.00008 -0.00002 -0.00010 2.60197 R11 1.88536 -0.00000 -0.00001 -0.00001 -0.00002 1.88534 R12 2.42874 0.00003 -0.00005 -0.00002 -0.00007 2.42867 R13 2.69254 -0.00002 0.00004 0.00003 0.00008 2.69261 R14 2.57917 -0.00001 0.00001 0.00001 0.00002 2.57919 R15 2.26343 0.00002 -0.00002 0.00003 0.00001 2.26344 R16 2.65716 -0.00000 -0.00002 0.00002 -0.00000 2.65715 R17 2.55289 -0.00000 -0.00007 -0.00002 -0.00009 2.55280 R18 2.53829 0.00001 0.00000 -0.00001 -0.00000 2.53828 R19 2.02426 -0.00000 0.00002 0.00002 0.00004 2.02430 R20 2.84474 0.00000 -0.00009 -0.00001 -0.00010 2.84464 R21 2.23464 -0.00000 0.00006 0.00006 0.00012 2.23475 R22 2.50020 0.00001 -0.00007 -0.00001 -0.00008 2.50012 R23 2.04371 0.00001 -0.00000 0.00002 0.00002 2.04373 R24 2.68391 -0.00003 0.00032 0.00010 0.00041 2.68433 R25 2.04378 0.00000 -0.00004 -0.00004 -0.00008 2.04370 A1 1.95179 -0.00001 0.00015 0.00007 0.00022 1.95201 A2 1.94680 0.00002 -0.00040 -0.00015 -0.00055 1.94626 A3 1.92749 -0.00000 0.00005 0.00005 0.00011 1.92760 A4 1.84906 -0.00000 0.00010 0.00009 0.00019 1.84925 A5 1.93441 0.00000 0.00022 0.00003 0.00025 1.93466 A6 1.85044 -0.00000 -0.00014 -0.00011 -0.00025 1.85019 A7 1.91963 -0.00001 0.00011 0.00010 0.00021 1.91984 A8 1.92460 0.00000 -0.00007 -0.00002 -0.00009 1.92452 A9 1.92451 -0.00001 0.00006 0.00003 0.00009 1.92461 A10 1.88870 0.00001 -0.00001 -0.00003 -0.00004 1.88866 A11 1.89249 0.00001 -0.00005 -0.00006 -0.00011 1.89238 A12 1.91326 0.00000 -0.00003 -0.00003 -0.00007 1.91320 A13 1.90862 0.00000 0.00007 0.00007 0.00015 1.90877 A14 2.20368 -0.00000 -0.00007 -0.00004 -0.00011 2.20357 A15 2.05558 0.00001 -0.00013 -0.00007 -0.00019 2.05538 A16 2.02393 -0.00001 0.00020 0.00010 0.00030 2.02423 A17 2.05946 0.00001 -0.00005 -0.00002 -0.00006 2.05939 A18 2.03708 -0.00000 0.00008 0.00002 0.00010 2.03718 A19 2.18664 -0.00001 -0.00003 -0.00001 -0.00003 2.18661 A20 2.09028 -0.00000 0.00005 0.00003 0.00008 2.09036 A21 2.16277 0.00000 0.00000 -0.00010 -0.00009 2.16268 A22 2.04487 0.00001 -0.00002 -0.00002 -0.00004 2.04483 A23 2.07554 -0.00001 0.00002 0.00012 0.00013 2.07567 A24 2.04339 0.00000 0.00003 0.00008 0.00011 2.04350 A25 2.11796 -0.00000 -0.00005 -0.00010 -0.00015 2.11781 A26 2.12159 -0.00000 0.00004 0.00002 0.00006 2.12165 A27 2.11772 -0.00000 0.00002 0.00002 0.00003 2.11776 A28 2.01937 0.00001 0.00005 0.00002 0.00007 2.01943 A29 2.14601 -0.00001 -0.00007 -0.00003 -0.00010 2.14591 A30 2.00471 0.00001 -0.00001 -0.00001 -0.00002 2.00469 A31 2.09825 0.00001 -0.00002 -0.00001 -0.00003 2.09821 A32 2.18011 -0.00002 0.00002 0.00002 0.00004 2.18015 A33 2.12373 0.00000 -0.00005 -0.00003 -0.00008 2.12365 A34 2.03982 -0.00000 0.00007 0.00005 0.00012 2.03994 A35 2.11964 -0.00000 -0.00002 -0.00002 -0.00004 2.11960 A36 1.94767 0.00000 0.00003 0.00011 0.00013 1.94780 A37 1.97533 0.00000 -0.00005 -0.00001 -0.00006 1.97527 A38 1.94832 0.00000 0.00003 0.00002 0.00005 1.94837 A39 1.85019 0.00001 -0.00004 0.00005 0.00001 1.85020 A40 1.88751 -0.00000 0.00003 0.00005 0.00008 1.88759 A41 1.84841 -0.00001 0.00000 -0.00023 -0.00023 1.84818 A42 2.21218 -0.00001 -0.00003 -0.00004 -0.00007 2.21211 D1 1.09438 -0.00001 0.00003 -0.00010 -0.00007 1.09432 D2 -3.10717 -0.00000 0.00004 -0.00008 -0.00004 -3.10721 D3 -0.99187 -0.00000 -0.00001 -0.00011 -0.00012 -0.99200 D4 -3.12160 -0.00000 -0.00000 -0.00004 -0.00005 -3.12165 D5 -1.03997 -0.00000 0.00001 -0.00003 -0.00002 -1.03999 D6 1.07533 -0.00000 -0.00005 -0.00006 -0.00010 1.07523 D7 -1.06853 0.00000 -0.00040 -0.00023 -0.00063 -1.06916 D8 1.01310 0.00001 -0.00039 -0.00022 -0.00061 1.01249 D9 3.12840 0.00001 -0.00044 -0.00025 -0.00069 3.12771 D10 -1.09348 0.00000 -0.00470 -0.00414 -0.00884 -1.10232 D11 3.06522 -0.00001 -0.00437 -0.00406 -0.00843 3.05679 D12 1.06554 -0.00001 -0.00436 -0.00400 -0.00836 1.05719 D13 1.43764 0.00000 0.00002 -0.00015 -0.00012 1.43751 D14 -1.68035 0.00001 -0.00064 -0.00055 -0.00119 -1.68154 D15 -2.71787 -0.00000 0.00004 -0.00009 -0.00005 -2.71792 D16 0.44733 0.00000 -0.00062 -0.00049 -0.00111 0.44621 D17 -0.66133 -0.00000 0.00027 -0.00006 0.00021 -0.66112 D18 2.50387 0.00000 -0.00039 -0.00046 -0.00085 2.50301 D19 -3.13986 0.00001 0.00097 0.00169 0.00266 -3.13720 D20 0.00371 0.00001 0.00076 0.00112 0.00188 0.00558 D21 0.00114 -0.00000 0.00018 0.00023 0.00041 0.00156 D22 -3.13848 -0.00000 -0.00003 -0.00034 -0.00037 -3.13885 D23 3.13984 -0.00001 -0.00147 -0.00158 -0.00305 3.13679 D24 -0.00069 -0.00000 -0.00151 -0.00150 -0.00301 -0.00370 D25 -0.00117 0.00001 -0.00069 -0.00014 -0.00084 -0.00201 D26 3.14149 0.00001 -0.00074 -0.00006 -0.00080 3.14069 D27 3.13847 0.00000 -0.00042 -0.00060 -0.00102 3.13745 D28 -0.00528 0.00000 -0.00019 0.00002 -0.00016 -0.00544 D29 3.12534 -0.00000 0.00129 0.00115 0.00244 3.12778 D30 -0.00029 -0.00000 0.00176 0.00160 0.00336 0.00307 D31 -0.01412 -0.00000 0.00107 0.00053 0.00160 -0.01252 D32 -3.13975 -0.00000 0.00154 0.00098 0.00252 -3.13724 D33 -3.10843 0.00001 -0.00089 -0.00060 -0.00149 -3.10992 D34 0.02937 0.00000 -0.00108 -0.00079 -0.00188 0.02749 D35 3.12949 0.00000 0.00085 0.00065 0.00150 3.13099 D36 -0.03575 -0.00000 0.00151 0.00105 0.00256 -0.03319 D37 -0.01569 -0.00000 0.00066 0.00047 0.00113 -0.01456 D38 3.10225 -0.00001 0.00133 0.00086 0.00219 3.10444 D39 3.13379 -0.00000 0.00007 -0.00009 -0.00002 3.13377 D40 -0.02119 -0.00000 -0.00003 0.00004 0.00001 -0.02118 D41 0.01686 0.00000 -0.00063 -0.00051 -0.00113 0.01573 D42 -3.13812 0.00000 -0.00072 -0.00037 -0.00110 -3.13922 D43 0.00762 0.00000 -0.00061 -0.00026 -0.00087 0.00675 D44 3.13240 0.00000 -0.00111 -0.00074 -0.00184 3.13056 D45 -3.11959 0.00000 -0.00051 -0.00041 -0.00091 -3.12050 D46 0.00519 -0.00000 -0.00100 -0.00088 -0.00188 0.00331 D47 2.07995 -0.00000 -0.00333 -0.00345 -0.00679 2.07316 D48 -0.00533 -0.00001 -0.00326 -0.00359 -0.00685 -0.01219 D49 -2.08878 -0.00000 -0.00325 -0.00330 -0.00655 -2.09533 D50 -1.04399 -0.00000 -0.00281 -0.00295 -0.00577 -1.04976 D51 -3.12927 -0.00001 -0.00274 -0.00310 -0.00583 -3.13511 D52 1.07047 -0.00000 -0.00273 -0.00280 -0.00553 1.06493 D53 -0.00644 -0.00001 -0.00045 -0.00109 -0.00153 -0.00797 D54 3.13622 -0.00001 -0.00049 -0.00101 -0.00150 3.13473 D55 0.00912 0.00002 0.00268 0.00345 0.00613 0.01525 D56 -2.13130 0.00001 0.00270 0.00329 0.00599 -2.12531 D57 2.14911 0.00001 0.00269 0.00331 0.00600 2.15511 Item Value Threshold Converged? Maximum Force 0.000059 0.000450 YES RMS Force 0.000009 0.000300 YES Maximum Displacement 0.015299 0.001800 NO RMS Displacement 0.003378 0.001200 NO Predicted change in Energy=-2.758942D-07 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.961726 -5.040671 2.075338 2 6 0 7.331578 -4.736636 3.517761 3 8 0 6.608547 -6.381822 1.900625 4 7 0 2.733215 -1.976267 0.419681 5 6 0 3.785395 -2.735072 0.839143 6 7 0 4.958917 -2.212403 0.801754 7 6 0 6.037476 -2.938000 1.217726 8 8 0 7.157653 -2.514760 1.244157 9 7 0 5.798748 -4.257363 1.641306 10 6 0 4.551312 -4.774793 1.673749 11 6 0 3.486063 -4.054891 1.284932 12 1 0 7.768016 -4.767004 1.414183 13 1 0 8.205747 -5.313398 3.806673 14 1 0 7.566556 -3.687126 3.630989 15 6 0 1.411527 -2.361278 0.391874 16 1 0 2.925456 -1.050283 0.101944 17 1 0 4.477202 -5.787804 2.014062 18 6 0 2.065956 -4.554076 1.275081 19 1 0 6.512995 -5.000064 4.179236 20 1 0 7.355057 -6.931378 2.096625 21 8 0 0.560161 -1.632267 0.014762 22 1 0 1.950685 -5.414018 0.629447 23 8 0 1.136524 -3.586494 0.808481 24 1 0 1.733489 -4.830134 2.266472 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.519806 0.000000 3 O 1.397836 2.417548 0.000000 4 N 5.478327 6.193760 6.051471 0.000000 5 C 4.114977 4.874081 4.732411 1.363384 0.000000 6 N 3.692202 4.402041 4.616584 2.270570 1.285198 7 C 2.451726 3.193736 3.557018 3.532696 2.292678 8 O 2.666360 3.183749 3.960636 4.532701 3.403629 9 N 1.467812 2.469889 2.288306 4.011640 2.648476 10 C 2.458060 3.336422 2.620349 3.565096 2.333165 11 C 3.698206 4.498697 3.942535 2.374051 1.424869 12 H 1.078018 2.148590 2.046615 5.841786 4.507847 13 H 2.149300 1.086415 2.706584 7.249604 5.915531 14 H 2.148943 1.081438 3.342653 6.049852 4.795621 15 C 6.388889 7.103555 6.741670 1.376905 2.444386 16 H 6.009072 6.683630 6.725007 0.997678 2.030141 17 H 2.595154 3.393159 2.215481 4.484569 3.343383 18 C 4.984550 5.726230 4.936303 2.796792 2.540726 19 H 2.151603 1.084906 2.666543 6.128975 4.870956 20 H 1.931304 2.614778 0.947473 6.980450 5.650905 21 O 7.539444 8.231658 7.918189 2.237065 3.506839 22 H 5.228817 6.144527 4.924248 3.531924 3.253750 23 O 6.136166 6.858696 6.240967 2.300744 2.782513 24 H 5.235964 5.736991 5.129110 3.543254 3.261422 6 7 8 9 10 6 N 0.000000 7 C 1.364849 0.000000 8 O 2.263091 1.197759 0.000000 9 N 2.364746 1.406104 2.245220 0.000000 10 C 2.737217 2.406334 3.476393 1.350882 0.000000 11 C 2.407805 2.785977 3.981738 2.348725 1.343202 12 H 3.846049 2.525593 2.339670 2.046787 3.227168 13 H 5.402557 4.128748 3.936670 3.405535 4.265484 14 H 4.120578 2.953492 2.690467 2.721976 3.755729 15 C 3.574093 4.734347 5.811016 4.940033 4.162513 16 H 2.444426 3.806982 4.621778 4.572833 4.357287 17 H 3.805948 3.345144 4.300046 2.056133 1.071213 18 C 3.751892 4.288118 5.484992 3.762432 2.526786 19 H 4.646892 3.639886 3.899617 2.739132 3.190049 20 H 5.448569 4.295992 4.502464 3.127262 3.562396 21 O 4.506103 5.757867 6.768833 6.081083 5.343874 22 H 4.396532 4.814415 5.991334 4.143586 2.874446 23 O 4.061879 4.960580 6.131266 4.783304 3.717731 24 H 4.404691 4.817088 5.985619 4.152737 2.880019 11 12 13 14 15 11 C 0.000000 12 H 4.342687 0.000000 13 H 5.497129 2.492822 0.000000 14 H 4.721192 2.474056 1.756187 0.000000 15 C 2.823045 6.872961 8.157040 7.080545 0.000000 16 H 3.277410 6.243907 7.731794 6.398977 2.023549 17 H 2.125317 3.497334 4.164201 4.070800 4.875545 18 C 1.505319 5.707729 6.684502 6.046362 2.452896 19 H 4.293328 3.045474 1.761361 1.770416 6.879846 20 H 4.888980 2.306681 2.503157 3.595021 7.688793 21 O 4.005414 7.983616 9.294316 8.147951 1.182579 22 H 2.152736 5.905572 7.016459 6.597683 3.109076 23 O 2.442691 6.762926 7.870532 7.022961 1.323005 24 H 2.153122 6.094743 6.670524 6.098610 3.116573 16 17 18 19 20 16 H 0.000000 17 H 5.339309 0.000000 18 C 3.793621 2.807540 0.000000 19 H 6.715320 3.074568 5.330026 0.000000 20 H 7.628066 3.097842 5.856713 2.962483 0.000000 21 O 2.437402 6.050529 3.520340 8.007567 8.864837 22 H 4.502291 2.905196 1.081495 5.795433 5.801916 23 O 3.183056 4.178435 1.420484 6.501278 7.177584 24 H 4.515888 2.916985 1.081480 5.150846 6.003840 21 22 23 24 21 O 0.000000 22 H 4.075909 0.000000 23 O 2.186593 2.008670 0.000000 24 H 4.083290 1.751555 2.007174 0.000000 Stoichiometry C8H9N3O4 Framework group C1[X(C8H9N3O4)] Deg. of freedom 66 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 3.017023 -0.273671 -0.199092 2 6 0 3.655697 -0.161882 1.175467 3 8 0 3.134305 -1.564028 -0.723658 4 7 0 -2.314670 0.972609 -0.020490 5 6 0 -0.987139 0.664132 -0.056782 6 7 0 -0.144879 1.631738 -0.134690 7 6 0 1.193113 1.364428 -0.168411 8 8 0 2.042323 2.208131 -0.208847 9 7 0 1.578197 0.012223 -0.148932 10 6 0 0.667068 -0.981238 -0.060842 11 6 0 -0.649173 -0.719144 -0.005986 12 1 0 3.441438 0.453981 -0.871787 13 1 0 4.722032 -0.358121 1.106781 14 1 0 3.520367 0.835317 1.571429 15 6 0 -3.356711 0.076819 0.066569 16 1 0 -2.568993 1.936613 -0.057604 17 1 0 1.063958 -1.976168 -0.051229 18 6 0 -1.732292 -1.761061 0.079151 19 1 0 3.216800 -0.885856 1.853886 20 1 0 4.050621 -1.770674 -0.847623 21 8 0 -4.483133 0.435604 0.097211 22 1 0 -1.713785 -2.425242 -0.774167 23 8 0 -3.039615 -1.206680 0.115797 24 1 0 -1.639532 -2.360349 0.974610 --------------------------------------------------------------------- Rotational constants (GHZ): 1.4880787 0.3590478 0.3023178 Standard basis: 6-31G(d) (6D, 7F) There are 243 symmetry adapted cartesian basis functions of A symmetry. There are 243 symmetry adapted basis functions of A symmetry. 243 basis functions, 456 primitive gaussians, 243 cartesian basis functions 55 alpha electrons 55 beta electrons nuclear repulsion energy 1024.9026308737 Hartrees. NAtoms= 24 NActive= 24 NUniq= 24 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. One-electron integrals computed using PRISM. NBasis= 243 RedAO= T EigKep= 8.43D-04 NBF= 243 NBsUse= 243 1.00D-06 EigRej= -1.00D+00 NBFU= 243 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 -0.000000 0.000000 Rot= 1.000000 0.000107 0.000039 -0.000012 Ang= 0.01 deg. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. SCF Done: E(RHF) = -771.021429389 A.U. after 9 cycles NFock= 9 Conv=0.88D-08 -V/T= 2.0017 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 -0.000223283 0.000295522 -0.000109580 2 6 0.000076829 0.000024477 0.000114413 3 8 0.000010652 -0.000081068 0.000007343 4 7 0.000135988 -0.000129378 -0.000060546 5 6 -0.000104038 -0.000027238 0.000047661 6 7 0.000076102 0.000019972 -0.000000566 7 6 -0.000045770 -0.000002189 -0.000013122 8 8 0.000022617 -0.000020284 0.000033186 9 7 0.000226358 -0.000174508 0.000008116 10 6 -0.000015938 -0.000033450 0.000045388 11 6 0.000003122 0.000102220 -0.000027187 12 1 0.000018269 -0.000028625 -0.000000065 13 1 -0.000018766 -0.000009149 -0.000030200 14 1 -0.000010764 -0.000028620 -0.000002399 15 6 -0.000115857 0.000119417 -0.000105720 16 1 -0.000045377 0.000027783 0.000028635 17 1 0.000001869 0.000013524 -0.000011489 18 6 -0.000108878 0.000088529 -0.000118219 19 1 -0.000004486 -0.000009272 -0.000020812 20 1 -0.000030625 0.000037551 -0.000005179 21 8 0.000061845 -0.000066553 0.000011286 22 1 0.000012004 -0.000008474 -0.000014465 23 8 0.000089817 -0.000088165 0.000229775 24 1 -0.000011691 -0.000022021 -0.000006253 ------------------------------------------------------------------- Cartesian Forces: Max 0.000295522 RMS 0.000083007 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000265251 RMS 0.000037872 Search for a local minimum. Step number 14 out of a maximum of 134 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swapping is turned off. Update second derivatives using D2CorX and points 2 4 3 5 6 7 8 9 10 11 12 13 14 DE= -4.88D-07 DEPred=-2.76D-07 R= 1.77D+00 Trust test= 1.77D+00 RLast= 2.57D-02 DXMaxT set to 5.22D-01 ITU= 0 0 0 0 1 1 1 1 1 1 -1 1 1 0 Eigenvalues --- 0.00009 0.00266 0.00409 0.01175 0.01436 Eigenvalues --- 0.01618 0.01785 0.01879 0.01891 0.02160 Eigenvalues --- 0.02457 0.02537 0.02829 0.05407 0.05578 Eigenvalues --- 0.05678 0.05959 0.07078 0.07623 0.07736 Eigenvalues --- 0.08538 0.08791 0.12791 0.12987 0.15773 Eigenvalues --- 0.16003 0.16102 0.16303 0.16432 0.16795 Eigenvalues --- 0.19616 0.22408 0.23229 0.23333 0.23850 Eigenvalues --- 0.24788 0.24991 0.25225 0.26488 0.26977 Eigenvalues --- 0.29609 0.32100 0.32849 0.33727 0.33801 Eigenvalues --- 0.33813 0.33886 0.34009 0.34124 0.35222 Eigenvalues --- 0.38654 0.42077 0.43479 0.44943 0.46136 Eigenvalues --- 0.46385 0.47838 0.48871 0.49012 0.50415 Eigenvalues --- 0.51825 0.57927 0.69513 0.87459 0.88819 Eigenvalues --- 2.20219 Eigenvalue 1 is 9.17D-05 Eigenvector: D10 D11 D12 D48 D47 1 -0.33567 -0.31948 -0.31801 -0.26713 -0.26397 D49 D55 D56 D57 D51 1 -0.25690 0.24460 0.23957 0.23955 -0.22836 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 14 13 12 11 10 9 8 7 6 5 RFO step: Lambda=-3.86840312D-06. DIIS inversion failure, remove point 10. DIIS inversion failure, remove point 9. DIIS inversion failure, remove point 8. DIIS inversion failure, remove point 7. DIIS inversion failure, remove point 6. DIIS inversion failure, remove point 5. DIIS inversion failure, remove point 4. DIIS inversion failure, remove point 3. RFO-DIIS uses 2 points instead of 10 DidBck=F Rises=F RFO-DIIS coefs: 3.00000 -2.00000 0.00000 0.00000 0.00000 RFO-DIIS coefs: 0.00000 0.00000 0.00000 0.00000 0.00000 Iteration 1 RMS(Cart)= 0.02535591 RMS(Int)= 0.00040725 Iteration 2 RMS(Cart)= 0.00050151 RMS(Int)= 0.00006738 Iteration 3 RMS(Cart)= 0.00000030 RMS(Int)= 0.00006738 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87202 0.00006 -0.00043 -0.00115 -0.00158 2.87043 R2 2.64153 0.00005 -0.00045 -0.00110 -0.00155 2.63998 R3 2.77376 -0.00027 0.00150 0.00375 0.00525 2.77901 R4 2.03716 0.00001 -0.00002 0.00001 -0.00001 2.03715 R5 2.05303 -0.00002 0.00004 0.00010 0.00014 2.05317 R6 2.04362 -0.00003 0.00017 0.00048 0.00065 2.04427 R7 2.05018 -0.00001 -0.00000 0.00000 -0.00000 2.05017 R8 1.79046 -0.00005 0.00012 0.00032 0.00044 1.79091 R9 2.57642 -0.00005 0.00020 0.00055 0.00080 2.57722 R10 2.60197 0.00004 -0.00020 -0.00059 -0.00071 2.60126 R11 1.88534 0.00001 -0.00004 -0.00012 -0.00017 1.88517 R12 2.42867 0.00008 -0.00013 -0.00040 -0.00054 2.42813 R13 2.69261 -0.00006 0.00015 0.00042 0.00051 2.69312 R14 2.57919 -0.00001 0.00004 0.00016 0.00022 2.57941 R15 2.26344 0.00001 0.00001 0.00006 0.00007 2.26351 R16 2.65715 -0.00004 -0.00001 -0.00018 -0.00016 2.65699 R17 2.55280 0.00002 -0.00019 -0.00036 -0.00054 2.55226 R18 2.53828 0.00003 -0.00001 -0.00009 -0.00012 2.53816 R19 2.02430 -0.00002 0.00008 0.00019 0.00027 2.02457 R20 2.84464 0.00002 -0.00019 -0.00055 -0.00083 2.84382 R21 2.23475 -0.00009 0.00023 0.00064 0.00087 2.23562 R22 2.50012 0.00004 -0.00017 -0.00040 -0.00053 2.49959 R23 2.04373 0.00001 0.00004 0.00017 0.00022 2.04395 R24 2.68433 -0.00015 0.00083 0.00216 0.00295 2.68728 R25 2.04370 0.00000 -0.00015 -0.00038 -0.00053 2.04317 A1 1.95201 -0.00004 0.00045 0.00102 0.00147 1.95348 A2 1.94626 0.00008 -0.00109 -0.00294 -0.00404 1.94222 A3 1.92760 -0.00001 0.00021 0.00051 0.00072 1.92832 A4 1.84925 -0.00003 0.00037 0.00103 0.00141 1.85066 A5 1.93466 0.00001 0.00050 0.00141 0.00191 1.93656 A6 1.85019 -0.00001 -0.00050 -0.00116 -0.00166 1.84854 A7 1.91984 -0.00004 0.00042 0.00097 0.00139 1.92123 A8 1.92452 0.00002 -0.00018 -0.00046 -0.00063 1.92388 A9 1.92461 -0.00003 0.00019 0.00042 0.00060 1.92521 A10 1.88866 0.00002 -0.00009 -0.00010 -0.00019 1.88847 A11 1.89238 0.00002 -0.00022 -0.00052 -0.00074 1.89164 A12 1.91320 0.00001 -0.00013 -0.00032 -0.00045 1.91274 A13 1.90877 -0.00002 0.00029 0.00073 0.00102 1.90979 A14 2.20357 0.00002 -0.00022 -0.00070 -0.00106 2.20251 A15 2.05538 0.00003 -0.00038 -0.00093 -0.00131 2.05407 A16 2.02423 -0.00005 0.00060 0.00160 0.00220 2.02643 A17 2.05939 0.00002 -0.00013 -0.00026 -0.00024 2.05916 A18 2.03718 -0.00003 0.00019 0.00054 0.00057 2.03775 A19 2.18661 0.00000 -0.00006 -0.00027 -0.00034 2.18628 A20 2.09036 -0.00001 0.00016 0.00039 0.00046 2.09082 A21 2.16268 0.00004 -0.00019 -0.00050 -0.00068 2.16200 A22 2.04483 0.00001 -0.00008 -0.00010 -0.00020 2.04463 A23 2.07567 -0.00005 0.00027 0.00059 0.00087 2.07654 A24 2.04350 -0.00003 0.00023 0.00063 0.00087 2.04437 A25 2.11781 0.00003 -0.00030 -0.00077 -0.00107 2.11674 A26 2.12165 0.00000 0.00012 0.00025 0.00033 2.12198 A27 2.11776 -0.00001 0.00007 0.00010 0.00009 2.11785 A28 2.01943 0.00000 0.00013 0.00051 0.00068 2.02011 A29 2.14591 0.00000 -0.00020 -0.00061 -0.00077 2.14514 A30 2.00469 0.00000 -0.00004 0.00004 0.00004 2.00473 A31 2.09821 0.00002 -0.00006 -0.00021 -0.00056 2.09765 A32 2.18015 -0.00002 0.00008 0.00008 0.00038 2.18053 A33 2.12365 0.00002 -0.00016 -0.00045 -0.00055 2.12310 A34 2.03994 -0.00003 0.00023 0.00073 0.00086 2.04080 A35 2.11960 0.00001 -0.00008 -0.00028 -0.00031 2.11929 A36 1.94780 0.00000 0.00027 0.00062 0.00098 1.94878 A37 1.97527 0.00001 -0.00013 -0.00035 -0.00085 1.97442 A38 1.94837 -0.00000 0.00011 0.00011 0.00030 1.94867 A39 1.85020 0.00001 0.00003 0.00030 0.00044 1.85065 A40 1.88759 -0.00000 0.00016 0.00025 0.00038 1.88797 A41 1.84818 -0.00001 -0.00046 -0.00098 -0.00131 1.84687 A42 2.21211 0.00001 -0.00015 -0.00051 -0.00099 2.21112 D1 1.09432 -0.00001 -0.00013 -0.00031 -0.00044 1.09388 D2 -3.10721 -0.00000 -0.00008 -0.00011 -0.00019 -3.10741 D3 -0.99200 0.00000 -0.00025 -0.00053 -0.00078 -0.99278 D4 -3.12165 -0.00002 -0.00009 -0.00028 -0.00038 -3.12202 D5 -1.03999 -0.00002 -0.00004 -0.00009 -0.00013 -1.04012 D6 1.07523 -0.00001 -0.00021 -0.00051 -0.00072 1.07451 D7 -1.06916 0.00001 -0.00126 -0.00324 -0.00450 -1.07366 D8 1.01249 0.00002 -0.00121 -0.00304 -0.00425 1.00824 D9 3.12771 0.00003 -0.00137 -0.00347 -0.00484 3.12287 D10 -1.10232 0.00003 -0.01768 -0.04800 -0.06568 -1.16801 D11 3.05679 -0.00003 -0.01685 -0.04566 -0.06251 2.99428 D12 1.05719 -0.00000 -0.01671 -0.04555 -0.06227 0.99492 D13 1.43751 0.00001 -0.00025 -0.00024 -0.00049 1.43702 D14 -1.68154 0.00002 -0.00238 -0.00591 -0.00829 -1.68983 D15 -2.71792 -0.00001 -0.00010 -0.00004 -0.00014 -2.71806 D16 0.44621 0.00000 -0.00222 -0.00571 -0.00794 0.43828 D17 -0.66112 -0.00001 0.00042 0.00151 0.00192 -0.65920 D18 2.50301 -0.00001 -0.00171 -0.00416 -0.00587 2.49714 D19 -3.13720 0.00002 0.00532 0.01511 0.02043 -3.11677 D20 0.00558 0.00003 0.00376 0.01201 0.01577 0.02136 D21 0.00156 -0.00001 0.00083 0.00133 0.00218 0.00374 D22 -3.13885 -0.00001 -0.00073 -0.00176 -0.00247 -3.14132 D23 3.13679 -0.00001 -0.00609 -0.01759 -0.02368 3.11312 D24 -0.00370 -0.00001 -0.00603 -0.01721 -0.02322 -0.02692 D25 -0.00201 0.00002 -0.00167 -0.00402 -0.00568 -0.00768 D26 3.14069 0.00003 -0.00161 -0.00364 -0.00522 3.13546 D27 3.13745 0.00001 -0.00203 -0.00467 -0.00671 3.13074 D28 -0.00544 0.00000 -0.00032 -0.00129 -0.00161 -0.00706 D29 3.12778 -0.00002 0.00488 0.01259 0.01747 -3.13793 D30 0.00307 -0.00002 0.00672 0.01775 0.02447 0.02754 D31 -0.01252 -0.00001 0.00319 0.00924 0.01243 -0.00009 D32 -3.13724 -0.00001 0.00503 0.01440 0.01944 -3.11780 D33 -3.10992 0.00001 -0.00298 -0.00779 -0.01076 -3.12069 D34 0.02749 0.00001 -0.00375 -0.01003 -0.01378 0.01371 D35 3.13099 -0.00000 0.00300 0.00811 0.01110 -3.14110 D36 -0.03319 -0.00001 0.00512 0.01377 0.01890 -0.01430 D37 -0.01456 -0.00001 0.00226 0.00598 0.00823 -0.00633 D38 3.10444 -0.00002 0.00438 0.01165 0.01603 3.12047 D39 3.13377 -0.00000 -0.00005 0.00010 0.00005 3.13382 D40 -0.02118 -0.00000 0.00003 -0.00023 -0.00021 -0.02139 D41 0.01573 0.00001 -0.00227 -0.00583 -0.00810 0.00763 D42 -3.13922 0.00000 -0.00219 -0.00616 -0.00836 3.13561 D43 0.00675 0.00000 -0.00174 -0.00524 -0.00699 -0.00024 D44 3.13056 0.00000 -0.00368 -0.01069 -0.01438 3.11618 D45 -3.12050 0.00001 -0.00183 -0.00490 -0.00673 -3.12723 D46 0.00331 0.00000 -0.00377 -0.01034 -0.01412 -0.01081 D47 2.07316 0.00000 -0.01357 -0.03810 -0.05171 2.02145 D48 -0.01219 -0.00002 -0.01371 -0.03869 -0.05239 -0.06458 D49 -2.09533 -0.00001 -0.01311 -0.03726 -0.05032 -2.14565 D50 -1.04976 0.00000 -0.01153 -0.03239 -0.04396 -1.09372 D51 -3.13511 -0.00002 -0.01167 -0.03298 -0.04464 3.10344 D52 1.06493 -0.00001 -0.01107 -0.03155 -0.04257 1.02237 D53 -0.00797 -0.00004 -0.00306 -0.00994 -0.01299 -0.02095 D54 3.13473 -0.00003 -0.00300 -0.00956 -0.01254 3.12219 D55 0.01525 0.00005 0.01226 0.03594 0.04820 0.06345 D56 -2.12531 0.00003 0.01198 0.03517 0.04720 -2.07811 D57 2.15511 0.00004 0.01200 0.03519 0.04716 2.20227 Item Value Threshold Converged? Maximum Force 0.000265 0.000450 YES RMS Force 0.000038 0.000300 YES Maximum Displacement 0.114567 0.001800 NO RMS Displacement 0.025351 0.001200 NO Predicted change in Energy=-2.079807D-06 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.959814 -5.046255 2.088018 2 6 0 7.327942 -4.718894 3.524883 3 8 0 6.602305 -6.387919 1.933818 4 7 0 2.735243 -1.976410 0.421428 5 6 0 3.787775 -2.741147 0.830481 6 7 0 4.962537 -2.222424 0.787418 7 6 0 6.040939 -2.950374 1.200057 8 8 0 7.163615 -2.532997 1.210692 9 7 0 5.797817 -4.262493 1.642920 10 6 0 4.549919 -4.778024 1.676005 11 6 0 3.486681 -4.060240 1.278098 12 1 0 7.766183 -4.783181 1.422679 13 1 0 8.199391 -5.293253 3.826787 14 1 0 7.566400 -3.667998 3.619814 15 6 0 1.410310 -2.349747 0.422466 16 1 0 2.930198 -1.050630 0.105025 17 1 0 4.472863 -5.788263 2.024266 18 6 0 2.068546 -4.563086 1.251481 19 1 0 6.507369 -4.967240 4.189716 20 1 0 7.361240 -6.935480 2.083301 21 8 0 0.556321 -1.608507 0.074835 22 1 0 1.952391 -5.393966 0.568820 23 8 0 1.133976 -3.576665 0.832238 24 1 0 1.740226 -4.882805 2.230753 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.518968 0.000000 3 O 1.397016 2.417371 0.000000 4 N 5.481649 6.184298 6.058293 0.000000 5 C 4.117858 4.868683 4.736864 1.363807 0.000000 6 N 3.695226 4.395590 4.621084 2.270531 1.284911 7 C 2.454694 3.191999 3.559530 3.533058 2.292840 8 O 2.669776 3.187574 3.962122 4.532462 3.403555 9 N 1.470589 2.468070 2.291127 4.012178 2.648550 10 C 2.459531 3.337553 2.621167 3.565958 2.333376 11 C 3.700115 4.498573 3.944005 2.375056 1.425140 12 H 1.078015 2.148360 2.047208 5.847292 4.510912 13 H 2.149622 1.086489 2.707824 7.242571 5.912145 14 H 2.148008 1.081784 3.342160 6.035828 4.787217 15 C 6.390791 7.089162 6.748913 1.376528 2.443769 16 H 6.011246 6.670212 6.731679 0.997590 2.029672 17 H 2.596066 3.398069 2.214112 4.485381 3.343558 18 C 4.985755 5.731831 4.934630 2.797208 2.540168 19 H 2.151298 1.084905 2.667662 6.113428 4.861702 20 H 1.931408 2.644338 0.947708 6.982410 5.650809 21 O 7.541600 8.211710 7.927958 2.236779 3.506589 22 H 5.244345 6.171757 4.947005 3.509170 3.236441 23 O 6.138164 6.849835 6.246539 2.300791 2.782219 24 H 5.224096 5.737962 5.098367 3.565228 3.277181 6 7 8 9 10 6 N 0.000000 7 C 1.364966 0.000000 8 O 2.262821 1.197797 0.000000 9 N 2.364626 1.406020 2.245748 0.000000 10 C 2.736956 2.406236 3.476790 1.350598 0.000000 11 C 2.407589 2.786060 3.982068 2.348478 1.343138 12 H 3.849864 2.526896 2.339092 2.047947 3.226228 13 H 5.398608 4.128887 3.941548 3.405774 4.267314 14 H 4.110019 2.949108 2.693387 2.718349 3.756289 15 C 3.573194 4.733722 5.809940 4.939465 4.162335 16 H 2.443187 3.805894 4.619711 4.572135 4.357171 17 H 3.805887 3.345414 4.301024 2.056429 1.071357 18 C 3.750899 4.287586 5.484766 3.761787 2.526585 19 H 4.636395 3.636395 3.902664 2.736111 3.191576 20 H 5.444812 4.290033 4.492478 3.127793 3.567076 21 O 4.505487 5.757410 6.767657 6.080773 5.344007 22 H 4.378064 4.804772 5.979466 4.149846 2.890051 23 O 4.061263 4.960426 6.130989 4.783197 3.718047 24 H 4.420874 4.826257 5.997939 4.146610 2.865851 11 12 13 14 15 11 C 0.000000 12 H 4.342543 0.000000 13 H 5.497797 2.495511 0.000000 14 H 4.720339 2.472033 1.756408 0.000000 15 C 2.822978 6.878891 8.145259 7.061038 0.000000 16 H 3.277731 6.249391 7.721123 6.379555 2.024484 17 H 2.124944 3.495432 4.169068 4.075692 4.875283 18 C 1.504882 5.704456 6.689739 6.052816 2.453448 19 H 4.292404 3.045486 1.760949 1.770414 6.857365 20 H 4.891581 2.287530 2.537548 3.616545 7.694211 21 O 4.005726 7.992330 9.277447 8.120935 1.183039 22 H 2.153125 5.907818 7.046240 6.618507 3.095568 23 O 2.442919 6.766865 7.863465 7.011063 1.322725 24 H 2.152735 6.080712 6.666079 6.111428 3.129717 16 17 18 19 20 16 H 0.000000 17 H 5.339332 0.000000 18 C 3.793963 2.806955 0.000000 19 H 6.694826 3.082607 5.338513 0.000000 20 H 7.627527 3.108426 5.859419 3.006667 0.000000 21 O 2.438735 6.050615 3.521485 7.976736 8.872288 22 H 4.476135 2.937103 1.081610 5.834451 5.824566 23 O 3.183725 4.178548 1.422045 6.486888 7.185097 24 H 4.540960 2.886139 1.081197 5.154641 5.985901 21 22 23 24 21 O 0.000000 22 H 4.064817 0.000000 23 O 2.186548 2.010417 0.000000 24 H 4.095198 1.751661 2.007333 0.000000 Stoichiometry C8H9N3O4 Framework group C1[X(C8H9N3O4)] Deg. of freedom 66 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 3.020482 -0.276556 -0.183018 2 6 0 3.642452 -0.150222 1.197003 3 8 0 3.143181 -1.570964 -0.694003 4 7 0 -2.314647 0.972631 -0.026808 5 6 0 -0.987237 0.662856 -0.071444 6 7 0 -0.144739 1.629973 -0.148102 7 6 0 1.193375 1.362713 -0.182094 8 8 0 2.041700 2.206845 -0.232145 9 7 0 1.578727 0.010986 -0.147029 10 6 0 0.667329 -0.982448 -0.066051 11 6 0 -0.649425 -0.720862 -0.024194 12 1 0 3.449349 0.446587 -0.857743 13 1 0 4.709679 -0.347037 1.144583 14 1 0 3.502028 0.851578 1.580321 15 6 0 -3.354924 0.077876 0.083037 16 1 0 -2.566896 1.937258 -0.059249 17 1 0 1.063815 -1.977629 -0.051233 18 6 0 -1.733598 -1.762874 0.034537 19 1 0 3.195524 -0.866433 1.878411 20 1 0 4.057058 -1.758742 -0.860492 21 8 0 -4.480053 0.438499 0.143190 22 1 0 -1.733248 -2.389411 -0.847126 23 8 0 -3.039307 -1.206104 0.120225 24 1 0 -1.627599 -2.400410 0.901312 --------------------------------------------------------------------- Rotational constants (GHZ): 1.4849474 0.3591278 0.3024321 Standard basis: 6-31G(d) (6D, 7F) There are 243 symmetry adapted cartesian basis functions of A symmetry. There are 243 symmetry adapted basis functions of A symmetry. 243 basis functions, 456 primitive gaussians, 243 cartesian basis functions 55 alpha electrons 55 beta electrons nuclear repulsion energy 1024.7973826100 Hartrees. NAtoms= 24 NActive= 24 NUniq= 24 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. One-electron integrals computed using PRISM. NBasis= 243 RedAO= T EigKep= 8.43D-04 NBF= 243 NBsUse= 243 1.00D-06 EigRej= -1.00D+00 NBFU= 243 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 0.000000 0.000000 Rot= 1.000000 0.000753 0.000283 -0.000076 Ang= 0.09 deg. ExpMin= 1.61D-01 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn= 5 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 5 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 5 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -771.021434550 A.U. after 12 cycles NFock= 12 Conv=0.58D-08 -V/T= 2.0017 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 -0.001333975 0.001919487 -0.000639805 2 6 0.000504443 0.000140466 0.000688030 3 8 0.000146140 -0.000522877 -0.000059811 4 7 0.000922330 -0.000953278 -0.000296383 5 6 -0.000485481 -0.000110134 0.000190385 6 7 0.000361013 0.000162224 -0.000015802 7 6 -0.000081410 0.000074913 0.000023890 8 8 0.000032570 -0.000201609 0.000176074 9 7 0.001349667 -0.001177604 0.000092968 10 6 -0.000162370 -0.000126652 0.000188781 11 6 -0.000047393 0.000456388 -0.000125821 12 1 0.000059965 -0.000207740 -0.000022911 13 1 -0.000118405 -0.000041646 -0.000186579 14 1 -0.000068541 -0.000208170 -0.000001949 15 6 -0.001008508 0.000916490 -0.000665207 16 1 -0.000291772 0.000204440 0.000178034 17 1 0.000085164 0.000074343 -0.000068395 18 6 -0.000784925 0.000660252 -0.000703336 19 1 -0.000013465 -0.000049905 -0.000132462 20 1 -0.000264815 0.000271195 0.000051514 21 8 0.000513413 -0.000541398 0.000081461 22 1 0.000068610 -0.000008766 -0.000097830 23 8 0.000697790 -0.000660507 0.001390676 24 1 -0.000080045 -0.000069911 -0.000045520 ------------------------------------------------------------------- Cartesian Forces: Max 0.001919487 RMS 0.000534859 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.001645487 RMS 0.000248008 Search for a local minimum. Step number 15 out of a maximum of 134 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swapping is turned off. Update second derivatives using D2CorX and points 2 4 3 5 6 7 8 9 10 11 12 13 14 15 DE= -5.16D-06 DEPred=-2.08D-06 R= 2.48D+00 TightC=F SS= 1.41D+00 RLast= 1.96D-01 DXNew= 8.7710D-01 5.8700D-01 Trust test= 2.48D+00 RLast= 1.96D-01 DXMaxT set to 5.87D-01 ITU= 1 0 0 0 0 1 1 1 1 1 1 -1 1 1 0 Eigenvalues --- -1.18692 0.00002 0.00266 0.00402 0.01205 Eigenvalues --- 0.01468 0.01619 0.01789 0.01879 0.01899 Eigenvalues --- 0.02121 0.02506 0.02582 0.03083 0.05425 Eigenvalues --- 0.05582 0.05694 0.06386 0.07227 0.07721 Eigenvalues --- 0.07770 0.08646 0.08812 0.12865 0.13038 Eigenvalues --- 0.15766 0.16006 0.16104 0.16317 0.16469 Eigenvalues --- 0.16911 0.20316 0.22398 0.22866 0.23637 Eigenvalues --- 0.24257 0.24860 0.24990 0.25301 0.26561 Eigenvalues --- 0.26992 0.29704 0.32104 0.32874 0.33741 Eigenvalues --- 0.33808 0.33822 0.33901 0.34035 0.34150 Eigenvalues --- 0.35327 0.38675 0.42246 0.43855 0.45028 Eigenvalues --- 0.46269 0.46661 0.47831 0.48888 0.49370 Eigenvalues --- 0.50452 0.51868 0.58056 0.70918 0.88068 Eigenvalues --- 0.90543 Eigenvalue 2 is 2.20D-05 Eigenvector: D10 D11 D12 D48 D47 1 -0.34382 -0.32642 -0.32386 -0.26661 -0.26596 D49 D55 D56 D57 D51 1 -0.25532 0.24153 0.23784 0.23651 -0.22405 Use linear search instead of GDIIS. RFO step: Lambda=-1.18692737D+00 EMin=-1.18692117D+00 I= 1 Eig= -1.19D+00 Dot1= -1.63D-03 I= 1 Stepn= -6.00D-01 RXN= 6.00D-01 EDone=F Mixed 1 eigenvectors in step. Raw Step.Grad= 1.63D-03. RFO eigenvector is Hessian eigenvector with negative curvature. Taking step of 6.00D-01 in eigenvector direction(s). Step.Grad= 2.71D-04. Skip linear search -- no minimum in search direction. Iteration 1 RMS(Cart)= 0.08234010 RMS(Int)= 0.01529708 Iteration 2 RMS(Cart)= 0.03393000 RMS(Int)= 0.00080474 Iteration 3 RMS(Cart)= 0.00008922 RMS(Int)= 0.00080103 Iteration 4 RMS(Cart)= 0.00000032 RMS(Int)= 0.00080103 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87043 0.00039 0.00000 0.09521 0.09521 2.96565 R2 2.63998 0.00027 0.00000 0.07674 0.07674 2.71671 R3 2.77901 -0.00165 0.00000 -0.35318 -0.35318 2.42583 R4 2.03715 0.00001 0.00000 0.00374 0.00374 2.04090 R5 2.05317 -0.00012 0.00000 -0.02558 -0.02558 2.02759 R6 2.04427 -0.00022 0.00000 -0.04498 -0.04498 1.99930 R7 2.05017 -0.00006 0.00000 -0.00881 -0.00881 2.04137 R8 1.79091 -0.00036 0.00000 -0.06510 -0.06510 1.72581 R9 2.57722 -0.00036 0.00000 -0.06331 -0.06327 2.51396 R10 2.60126 0.00032 0.00000 0.06167 0.06152 2.66278 R11 1.88517 0.00008 0.00000 0.01359 0.01359 1.89876 R12 2.42813 0.00043 0.00000 0.05243 0.05246 2.48059 R13 2.69312 -0.00030 0.00000 -0.04454 -0.04441 2.64872 R14 2.57941 -0.00000 0.00000 0.01968 0.01972 2.59914 R15 2.26351 -0.00004 0.00000 0.00675 0.00675 2.27026 R16 2.65699 -0.00023 0.00000 -0.06062 -0.06060 2.59639 R17 2.55226 0.00017 0.00000 0.05991 0.05988 2.61214 R18 2.53816 0.00017 0.00000 0.01070 0.01065 2.54882 R19 2.02457 -0.00010 0.00000 -0.02304 -0.02304 2.00153 R20 2.84382 0.00017 0.00000 0.03796 0.03805 2.88187 R21 2.23562 -0.00073 0.00000 -0.10387 -0.10387 2.13175 R22 2.49959 0.00021 0.00000 0.05573 0.05555 2.55514 R23 2.04395 0.00006 0.00000 0.01754 0.01754 2.06149 R24 2.68728 -0.00107 0.00000 -0.23845 -0.23840 2.44887 R25 2.04317 0.00000 0.00000 0.00557 0.00557 2.04874 A1 1.95348 -0.00026 0.00000 -0.07040 -0.06932 1.88416 A2 1.94222 0.00059 0.00000 0.13722 0.13678 2.07900 A3 1.92832 -0.00008 0.00000 -0.01533 -0.01835 1.90997 A4 1.85066 -0.00023 0.00000 -0.04478 -0.04179 1.80887 A5 1.93656 0.00005 0.00000 0.00706 0.00524 1.94180 A6 1.84854 -0.00006 0.00000 -0.00893 -0.01083 1.83771 A7 1.92123 -0.00025 0.00000 -0.06240 -0.06300 1.85824 A8 1.92388 0.00011 0.00000 0.02707 0.02742 1.95130 A9 1.92521 -0.00016 0.00000 -0.03798 -0.03864 1.88657 A10 1.88847 0.00010 0.00000 0.02572 0.02617 1.91464 A11 1.89164 0.00014 0.00000 0.03592 0.03409 1.92573 A12 1.91274 0.00006 0.00000 0.01317 0.01344 1.92619 A13 1.90979 -0.00015 0.00000 -0.03098 -0.03098 1.87881 A14 2.20251 0.00021 0.00000 0.04573 0.04503 2.24754 A15 2.05407 0.00016 0.00000 0.04296 0.04253 2.09660 A16 2.02643 -0.00038 0.00000 -0.08964 -0.08973 1.93671 A17 2.05916 0.00014 0.00000 0.03656 0.03656 2.09572 A18 2.03775 -0.00022 0.00000 -0.05227 -0.05227 1.98548 A19 2.18628 0.00009 0.00000 0.01572 0.01571 2.20199 A20 2.09082 -0.00011 0.00000 -0.02424 -0.02417 2.06665 A21 2.16200 0.00026 0.00000 0.03674 0.03673 2.19872 A22 2.04463 0.00005 0.00000 0.01594 0.01596 2.06059 A23 2.07654 -0.00031 0.00000 -0.05270 -0.05272 2.02382 A24 2.04437 -0.00029 0.00000 -0.05405 -0.05403 1.99034 A25 2.11674 0.00024 0.00000 0.05219 0.05221 2.16895 A26 2.12198 0.00004 0.00000 0.00175 0.00169 2.12367 A27 2.11785 -0.00001 0.00000 -0.00868 -0.00880 2.10904 A28 2.02011 -0.00007 0.00000 -0.01276 -0.01269 2.00742 A29 2.14514 0.00008 0.00000 0.02145 0.02151 2.16666 A30 2.00473 -0.00006 0.00000 -0.00067 -0.00079 2.00394 A31 2.09765 0.00007 0.00000 0.00795 0.00802 2.10567 A32 2.18053 -0.00001 0.00000 -0.00722 -0.00715 2.17338 A33 2.12310 0.00018 0.00000 0.03628 0.03656 2.15966 A34 2.04080 -0.00026 0.00000 -0.05057 -0.05122 1.98958 A35 2.11929 0.00008 0.00000 0.01427 0.01458 2.13387 A36 1.94878 -0.00001 0.00000 -0.00870 -0.00902 1.93976 A37 1.97442 0.00013 0.00000 0.04141 0.04112 2.01554 A38 1.94867 -0.00004 0.00000 -0.01833 -0.01822 1.93046 A39 1.85065 0.00001 0.00000 0.00910 0.00899 1.85963 A40 1.88797 0.00001 0.00000 0.00036 0.00022 1.88819 A41 1.84687 -0.00011 0.00000 -0.02446 -0.02419 1.82268 A42 2.21112 0.00006 0.00000 0.00470 0.00382 2.21494 D1 1.09388 -0.00007 0.00000 -0.02294 -0.02102 1.07286 D2 -3.10741 -0.00003 0.00000 -0.01337 -0.01215 -3.11955 D3 -0.99278 0.00001 0.00000 -0.00402 -0.00334 -0.99612 D4 -3.12202 -0.00014 0.00000 -0.03433 -0.03471 3.12645 D5 -1.04012 -0.00010 0.00000 -0.02476 -0.02584 -1.06596 D6 1.07451 -0.00006 0.00000 -0.01541 -0.01703 1.05748 D7 -1.07366 0.00010 0.00000 0.03029 0.03068 -1.04298 D8 1.00824 0.00014 0.00000 0.03985 0.03955 1.04779 D9 3.12287 0.00018 0.00000 0.04920 0.04835 -3.11196 D10 -1.16801 0.00028 0.00000 0.07722 0.07798 -1.09002 D11 2.99428 -0.00014 0.00000 -0.02086 -0.02169 2.97260 D12 0.99492 0.00003 0.00000 0.01093 0.01099 1.00591 D13 1.43702 0.00009 0.00000 0.02330 0.02402 1.46104 D14 -1.68983 0.00013 0.00000 0.03115 0.03197 -1.65786 D15 -2.71806 -0.00003 0.00000 -0.01142 -0.01169 -2.72975 D16 0.43828 0.00001 0.00000 -0.00357 -0.00374 0.43454 D17 -0.65920 -0.00011 0.00000 -0.02889 -0.02949 -0.68869 D18 2.49714 -0.00007 0.00000 -0.02104 -0.02153 2.47561 D19 -3.11677 0.00015 0.00000 0.03943 0.03864 -3.07813 D20 0.02136 0.00018 0.00000 0.04507 0.04395 0.06531 D21 0.00374 -0.00008 0.00000 -0.01876 -0.02085 -0.01711 D22 -3.14132 -0.00004 0.00000 -0.01311 -0.01554 3.12633 D23 3.11312 -0.00006 0.00000 -0.01740 -0.01710 3.09601 D24 -0.02692 -0.00004 0.00000 -0.00508 -0.00594 -0.03286 D25 -0.00768 0.00015 0.00000 0.03859 0.03673 0.02904 D26 3.13546 0.00018 0.00000 0.05092 0.04789 -3.09983 D27 3.13074 0.00005 0.00000 0.01393 0.01440 -3.13804 D28 -0.00706 0.00001 0.00000 0.00790 0.00852 0.00146 D29 -3.13793 -0.00010 0.00000 -0.02540 -0.02550 3.11975 D30 0.02754 -0.00010 0.00000 -0.02834 -0.02894 -0.00140 D31 -0.00009 -0.00007 0.00000 -0.01927 -0.01978 -0.01986 D32 -3.11780 -0.00007 0.00000 -0.02221 -0.02321 -3.14101 D33 -3.12069 0.00006 0.00000 0.01523 0.01524 -3.10545 D34 0.01371 0.00006 0.00000 0.01052 0.01053 0.02424 D35 -3.14110 -0.00005 0.00000 -0.00995 -0.01025 3.13184 D36 -0.01430 -0.00009 0.00000 -0.01737 -0.01750 -0.03179 D37 -0.00633 -0.00004 0.00000 -0.01405 -0.01413 -0.02047 D38 3.12047 -0.00008 0.00000 -0.02147 -0.02138 3.09909 D39 3.13382 -0.00001 0.00000 -0.00330 -0.00353 3.13028 D40 -0.02139 -0.00002 0.00000 -0.00174 -0.00171 -0.02310 D41 0.00763 0.00003 0.00000 0.00534 0.00542 0.01305 D42 3.13561 0.00003 0.00000 0.00691 0.00725 -3.14033 D43 -0.00024 0.00004 0.00000 0.01194 0.01217 0.01193 D44 3.11618 0.00004 0.00000 0.01527 0.01600 3.13217 D45 -3.12723 0.00005 0.00000 0.01055 0.01047 -3.11676 D46 -0.01081 0.00005 0.00000 0.01389 0.01430 0.00349 D47 2.02145 -0.00000 0.00000 0.00804 0.00823 2.02968 D48 -0.06458 -0.00010 0.00000 -0.02641 -0.02642 -0.09099 D49 -2.14565 -0.00003 0.00000 -0.01056 -0.01014 -2.15579 D50 -1.09372 -0.00000 0.00000 0.00467 0.00432 -1.08939 D51 3.10344 -0.00011 0.00000 -0.02979 -0.03032 3.07312 D52 1.02237 -0.00003 0.00000 -0.01393 -0.01405 1.00832 D53 -0.02095 -0.00022 0.00000 -0.06102 -0.06129 -0.08225 D54 3.12219 -0.00019 0.00000 -0.04875 -0.05034 3.07185 D55 0.06345 0.00027 0.00000 0.07252 0.07306 0.13651 D56 -2.07811 0.00019 0.00000 0.05159 0.05138 -2.02673 D57 2.20227 0.00023 0.00000 0.05807 0.05803 2.26030 Item Value Threshold Converged? Maximum Force 0.001645 0.000450 NO RMS Force 0.000248 0.000300 YES Maximum Displacement 0.319833 0.001800 NO RMS Displacement 0.089498 0.001200 NO Predicted change in Energy=-2.150741D-01 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.859565 -4.912255 2.071489 2 6 0 7.367472 -4.713283 3.542988 3 8 0 6.484918 -6.291312 1.914642 4 7 0 2.783394 -2.049933 0.389354 5 6 0 3.825701 -2.753938 0.822650 6 7 0 5.029052 -2.230012 0.798936 7 6 0 6.082609 -2.989796 1.251133 8 8 0 7.228419 -2.635877 1.322866 9 7 0 5.820731 -4.269576 1.676958 10 6 0 4.536561 -4.780817 1.692833 11 6 0 3.491583 -4.038466 1.273152 12 1 0 7.643309 -4.638425 1.380727 13 1 0 8.224405 -5.348715 3.657538 14 1 0 7.640521 -3.708764 3.731965 15 6 0 1.418353 -2.399412 0.395851 16 1 0 2.912437 -1.110612 0.056770 17 1 0 4.455560 -5.777542 2.041848 18 6 0 2.045188 -4.520898 1.243420 19 1 0 6.579301 -5.021247 4.214459 20 1 0 7.234044 -6.797928 2.041884 21 8 0 0.594558 -1.714522 0.042531 22 1 0 1.927181 -5.369119 0.567666 23 8 0 1.169779 -3.636408 0.881946 24 1 0 1.725358 -4.829141 2.232393 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.569353 0.000000 3 O 1.437623 2.433226 0.000000 4 N 5.257150 6.168679 5.832416 0.000000 5 C 3.927118 4.876824 4.558168 1.330328 0.000000 6 N 3.487778 4.377746 4.456288 2.289795 1.312674 7 C 2.229909 3.142273 3.391475 3.537064 2.309298 8 O 2.424538 3.043664 3.776930 4.579631 3.441314 9 N 1.283692 2.464011 2.141274 3.976199 2.647102 10 C 2.357330 3.382557 2.475255 3.497196 2.317494 11 C 3.569895 4.542031 3.800905 2.288426 1.401641 12 H 1.079996 2.181069 2.087815 5.594809 4.293818 13 H 2.137484 1.072954 2.636664 7.153152 5.841066 14 H 2.194417 1.057983 3.362684 6.125067 4.891692 15 C 6.223257 7.116915 6.566863 1.409083 2.470460 16 H 5.838784 6.706734 6.561551 1.004783 2.030060 17 H 2.555159 3.444604 2.097245 4.407033 3.320444 18 C 4.900722 5.801011 4.826604 2.716623 2.543506 19 H 2.163966 1.080245 2.628904 6.153783 4.922131 20 H 1.922725 2.572326 0.913258 6.714357 5.427448 21 O 7.320688 8.192565 7.690783 2.241382 3.482709 22 H 5.176738 6.235337 4.841255 3.432475 3.241692 23 O 5.951173 6.830242 6.030396 2.315881 2.799320 24 H 5.137400 5.793490 4.989220 3.498603 3.271893 6 7 8 9 10 6 N 0.000000 7 C 1.375404 0.000000 8 O 2.297052 1.201368 0.000000 9 N 2.357435 1.373952 2.185392 0.000000 10 C 2.747399 2.406890 3.461754 1.382285 0.000000 11 C 2.420577 2.795283 3.991700 2.375163 1.348776 12 H 3.601844 2.273886 2.045894 1.882975 3.125632 13 H 5.301717 3.992816 3.715127 3.296193 4.216962 14 H 4.196324 3.016378 2.669208 2.801642 3.865479 15 C 3.637076 4.778634 5.888306 4.951736 4.132369 16 H 2.506775 3.873993 4.749435 4.589361 4.334153 17 H 3.802458 3.323258 4.251558 2.066591 1.059166 18 C 3.788029 4.317997 5.515931 3.808654 2.544890 19 H 4.675475 3.626955 3.804294 2.753062 3.254104 20 H 5.222333 4.056225 4.223705 2.919450 3.386294 21 O 4.527981 5.762443 6.818817 6.042561 5.259758 22 H 4.419172 4.836929 6.011994 4.195147 2.901890 23 O 4.108385 4.968934 6.156508 4.760704 3.647250 24 H 4.441245 4.830289 5.993440 4.170576 2.862922 11 12 13 14 15 11 C 0.000000 12 H 4.196231 0.000000 13 H 5.459089 2.454802 0.000000 14 H 4.834062 2.528360 1.742384 0.000000 15 C 2.784679 6.688292 8.103045 7.180490 0.000000 16 H 3.222937 6.048097 7.690517 6.527804 2.002066 17 H 2.131790 3.449118 4.122929 4.156960 4.831738 18 C 1.525019 5.601038 6.685505 6.177392 2.368966 19 H 4.376203 3.051018 1.767417 1.755449 6.934780 20 H 4.712918 2.295229 2.385660 3.544649 7.475201 21 O 3.912531 7.747572 9.191855 8.199666 1.128072 22 H 2.171567 5.819717 7.014468 6.738830 3.017878 23 O 2.388612 6.569583 7.771979 7.070951 1.352123 24 H 2.159829 5.981961 6.673726 6.204282 3.061163 16 17 18 19 20 16 H 0.000000 17 H 5.301132 0.000000 18 C 3.713531 2.833113 0.000000 19 H 6.784198 3.130894 5.443859 0.000000 20 H 7.413671 2.959926 5.722468 2.881904 0.000000 21 O 2.395303 5.950860 3.379676 8.009780 8.597744 22 H 4.400753 2.955118 1.090893 5.921346 5.690133 23 O 3.177644 4.089766 1.295889 6.502796 6.936568 24 H 4.468775 2.896510 1.084146 5.246547 5.853037 21 22 23 24 21 O 0.000000 22 H 3.925268 0.000000 23 O 2.174659 1.916955 0.000000 24 H 3.971782 1.761710 1.885467 0.000000 Stoichiometry C8H9N3O4 Framework group C1[X(C8H9N3O4)] Deg. of freedom 66 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 2.857313 -0.252080 -0.178732 2 6 0 3.677476 -0.213893 1.158707 3 8 0 2.941622 -1.584313 -0.712404 4 7 0 -2.248484 0.994292 -0.056155 5 6 0 -0.951384 0.699445 -0.075342 6 7 0 -0.059284 1.660153 -0.140999 7 6 0 1.272265 1.316319 -0.163144 8 8 0 2.198398 2.081193 -0.186208 9 7 0 1.595429 -0.018957 -0.144531 10 6 0 0.624479 -0.999782 -0.067376 11 6 0 -0.683943 -0.675427 -0.022418 12 1 0 3.262280 0.472749 -0.869395 13 1 0 4.691852 -0.449484 0.900312 14 1 0 3.638200 0.739040 1.616641 15 6 0 -3.349099 0.125084 0.080365 16 1 0 -2.548055 1.953152 -0.076997 17 1 0 0.991217 -1.993394 -0.058948 18 6 0 -1.823087 -1.686667 0.051249 19 1 0 3.274394 -0.966093 1.821013 20 1 0 3.819867 -1.753551 -0.897026 21 8 0 -4.420831 0.473901 0.127939 22 1 0 -1.841247 -2.324011 -0.833912 23 8 0 -3.010737 -1.181178 0.166557 24 1 0 -1.713863 -2.321624 0.923185 --------------------------------------------------------------------- Rotational constants (GHZ): 1.5411887 0.3670388 0.3098437 Standard basis: 6-31G(d) (6D, 7F) There are 243 symmetry adapted cartesian basis functions of A symmetry. There are 243 symmetry adapted basis functions of A symmetry. 243 basis functions, 456 primitive gaussians, 243 cartesian basis functions 55 alpha electrons 55 beta electrons nuclear repulsion energy 1038.4642342003 Hartrees. NAtoms= 24 NActive= 24 NUniq= 24 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. One-electron integrals computed using PRISM. NBasis= 243 RedAO= T EigKep= 8.39D-04 NBF= 243 NBsUse= 243 1.00D-06 EigRej= -1.00D+00 NBFU= 243 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 -0.000000 -0.000000 Rot= 0.999928 -0.002910 -0.002562 0.011315 Ang= -1.37 deg. ExpMin= 1.61D-01 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn= 5 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 5 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 5 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -770.957749506 A.U. after 14 cycles NFock= 14 Conv=0.56D-08 -V/T= 2.0003 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 0.130774746 -0.119285486 0.054945683 2 6 -0.020806958 -0.012059308 -0.029825248 3 8 -0.011966117 0.028217838 -0.002093070 4 7 -0.042410217 0.041121867 -0.020987561 5 6 0.041366872 0.006063309 0.004333980 6 7 -0.016442387 -0.012099313 0.001251142 7 6 -0.010759041 0.025699783 -0.007528054 8 8 -0.005061152 0.020679705 -0.007764167 9 7 -0.167845930 0.078564554 -0.037687891 10 6 0.008508731 0.019649529 -0.002219591 11 6 0.008388045 -0.030792623 0.012288838 12 1 0.008449057 -0.012617329 0.006873430 13 1 0.006910341 -0.004016125 0.006044429 14 1 0.004911995 0.016819993 0.002080399 15 6 0.096374941 -0.089061777 0.045238992 16 1 0.006990314 -0.005913080 0.002424907 17 1 -0.002361178 -0.006214928 0.002619661 18 6 0.065839707 -0.076034383 0.030041426 19 1 -0.000263492 -0.001567708 0.004645212 20 1 0.033995624 -0.028210689 0.005805665 21 8 -0.078269512 0.069293639 -0.035428550 22 1 0.007555492 -0.002884048 0.005439403 23 8 -0.072739026 0.104181630 -0.042605844 24 1 0.008859145 -0.009535050 0.002106809 ------------------------------------------------------------------- Cartesian Forces: Max 0.167845930 RMS 0.044900856 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.204355172 RMS 0.026069772 Search for a local minimum. Step number 16 out of a maximum of 134 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Update second derivatives using D2CorX and points 2 4 3 5 6 7 8 9 10 11 12 13 14 16 15 ITU= 0 1 0 0 0 0 1 1 1 1 1 1 -1 1 1 0 Use linear search instead of GDIIS. Eigenvalues --- -0.23986 0.00013 0.00264 0.00353 0.01328 Eigenvalues --- 0.01596 0.01641 0.01821 0.01889 0.01903 Eigenvalues --- 0.02184 0.02531 0.02586 0.03650 0.05241 Eigenvalues --- 0.05601 0.05737 0.06284 0.07061 0.07696 Eigenvalues --- 0.08004 0.08987 0.11065 0.13141 0.13423 Eigenvalues --- 0.15758 0.16002 0.16095 0.16301 0.16491 Eigenvalues --- 0.17874 0.19142 0.22301 0.23331 0.23720 Eigenvalues --- 0.24137 0.24866 0.24956 0.26325 0.26825 Eigenvalues --- 0.28829 0.29201 0.32627 0.33548 0.33738 Eigenvalues --- 0.33766 0.33808 0.33873 0.34009 0.35137 Eigenvalues --- 0.38346 0.40481 0.42061 0.44417 0.44766 Eigenvalues --- 0.45529 0.47613 0.48802 0.49085 0.50325 Eigenvalues --- 0.51108 0.57632 0.60507 0.71448 0.86713 Eigenvalues --- 0.91199 RFO step: Lambda=-2.39862669D-01 EMin=-2.39857261D-01 I= 1 Eig= -2.40D-01 Dot1= -6.83D-04 I= 1 Stepn= -6.00D-01 RXN= 6.00D-01 EDone=F Mixed 1 eigenvectors in step. Raw Step.Grad= 6.83D-04. RFO eigenvector is Hessian eigenvector with negative curvature. Taking step of 6.00D-01 in eigenvector direction(s). Step.Grad= 1.25D-04. Quartic linear search produced a step of -0.98389. Iteration 1 RMS(Cart)= 0.12424717 RMS(Int)= 0.01303874 Iteration 2 RMS(Cart)= 0.02152869 RMS(Int)= 0.00156827 Iteration 3 RMS(Cart)= 0.00007652 RMS(Int)= 0.00156732 Iteration 4 RMS(Cart)= 0.00000015 RMS(Int)= 0.00156732 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.96565 -0.01909 -0.09368 0.03932 -0.05436 2.91129 R2 2.71671 -0.00615 -0.07550 0.07401 -0.00149 2.71523 R3 2.42583 0.20436 0.34749 -0.06489 0.28261 2.70843 R4 2.04090 -0.00146 -0.00368 0.02022 0.01654 2.05744 R5 2.02759 0.00854 0.02516 0.00288 0.02804 2.05563 R6 1.99930 0.01761 0.04425 0.00053 0.04479 2.04408 R7 2.04137 0.00353 0.00866 0.01706 0.02572 2.06709 R8 1.72581 0.04434 0.06405 0.03731 0.10136 1.82717 R9 2.51396 0.03379 0.06225 0.01521 0.07793 2.59188 R10 2.66278 -0.01535 -0.06053 -0.05579 -0.11571 2.54707 R11 1.89876 -0.00543 -0.01337 -0.01996 -0.03334 1.86543 R12 2.48059 -0.03415 -0.05162 0.03100 -0.02085 2.45975 R13 2.64872 0.02214 0.04369 -0.08898 -0.04511 2.60361 R14 2.59914 -0.01255 -0.01941 -0.06779 -0.08762 2.51152 R15 2.27026 0.00080 -0.00664 0.06405 0.05741 2.32767 R16 2.59639 0.04729 0.05962 0.01069 0.07008 2.66647 R17 2.61214 -0.01780 -0.05892 -0.03109 -0.08976 2.52238 R18 2.54882 -0.01150 -0.01048 0.01618 0.00614 2.55496 R19 2.00153 0.00689 0.02267 -0.02138 0.00128 2.00282 R20 2.88187 -0.01031 -0.03744 -0.04882 -0.08678 2.79509 R21 2.13175 0.11032 0.10220 0.09256 0.19476 2.32651 R22 2.55514 -0.01397 -0.05466 0.02863 -0.02591 2.52923 R23 2.06149 -0.00194 -0.01726 0.02717 0.00991 2.07140 R24 2.44887 0.12111 0.23456 0.07443 0.30842 2.75729 R25 2.04874 0.00202 -0.00548 0.02568 0.02020 2.06894 A1 1.88416 -0.00315 0.06820 -0.10035 -0.02852 1.85564 A2 2.07900 -0.02452 -0.13458 0.00785 -0.12486 1.95414 A3 1.90997 0.00168 0.01805 -0.02111 -0.00038 1.90959 A4 1.80887 0.02286 0.04112 0.10486 0.14111 1.94998 A5 1.94180 -0.00876 -0.00515 -0.02022 -0.02830 1.91350 A6 1.83771 0.01237 0.01065 0.03444 0.04316 1.88087 A7 1.85824 0.00721 0.06198 -0.07328 -0.01085 1.84739 A8 1.95130 -0.00331 -0.02698 -0.00356 -0.03107 1.92023 A9 1.88657 0.00398 0.03802 -0.05442 -0.01597 1.87060 A10 1.91464 -0.00231 -0.02575 0.05410 0.02778 1.94242 A11 1.92573 -0.00464 -0.03354 0.03465 0.00280 1.92853 A12 1.92619 -0.00071 -0.01323 0.03808 0.02430 1.95049 A13 1.87881 0.00747 0.03048 0.04496 0.07544 1.95425 A14 2.24754 -0.00551 -0.04431 -0.06595 -0.10914 2.13839 A15 2.09660 -0.00452 -0.04184 0.07380 0.03196 2.12855 A16 1.93671 0.01002 0.08828 -0.01395 0.07340 2.01011 A17 2.09572 -0.01517 -0.03597 0.03825 0.00213 2.09785 A18 1.98548 0.01962 0.05143 0.04557 0.09699 2.08246 A19 2.20199 -0.00445 -0.01546 -0.08388 -0.09952 2.10247 A20 2.06665 0.00565 0.02378 0.00358 0.02653 2.09318 A21 2.19872 -0.02714 -0.03613 -0.02401 -0.06029 2.13843 A22 2.06059 0.00289 -0.01570 0.06829 0.05157 2.11216 A23 2.02382 0.02426 0.05187 -0.04492 0.00669 2.03051 A24 1.99034 0.03053 0.05316 0.02564 0.07840 2.06874 A25 2.16895 -0.01610 -0.05137 0.02633 -0.02537 2.14358 A26 2.12367 -0.01444 -0.00166 -0.05299 -0.05471 2.06896 A27 2.10904 0.00257 0.00866 -0.04316 -0.03373 2.07531 A28 2.00742 0.00048 0.01249 0.11748 0.12955 2.13697 A29 2.16666 -0.00306 -0.02117 -0.07440 -0.09595 2.07071 A30 2.00394 0.00776 0.00078 0.10659 0.10840 2.11234 A31 2.10567 -0.00621 -0.00789 0.03178 0.02289 2.12856 A32 2.17338 -0.00156 0.00704 -0.13838 -0.13139 2.04198 A33 2.15966 -0.00748 -0.03597 -0.04051 -0.07717 2.08249 A34 1.98958 0.00779 0.05039 0.04899 0.09978 2.08936 A35 2.13387 -0.00031 -0.01435 -0.00921 -0.02454 2.10932 A36 1.93976 -0.00289 0.00888 -0.01438 -0.00458 1.93518 A37 2.01554 -0.01551 -0.04046 -0.03136 -0.07213 1.94340 A38 1.93046 -0.00358 0.01792 -0.03259 -0.01327 1.91719 A39 1.85963 0.01155 -0.00884 0.08541 0.07753 1.93716 A40 1.88819 -0.00284 -0.00021 -0.05597 -0.05837 1.82982 A41 1.82268 0.01505 0.02380 0.05233 0.07471 1.89738 A42 2.21494 -0.00017 -0.00376 -0.04232 -0.04551 2.16943 D1 1.07286 -0.00749 0.02068 -0.06849 -0.05078 1.02208 D2 -3.11955 -0.00765 0.01195 -0.05079 -0.04115 3.12248 D3 -0.99612 -0.00795 0.00329 -0.04205 -0.04045 -1.03657 D4 3.12645 0.00405 0.03415 -0.00503 0.02972 -3.12701 D5 -1.06596 0.00389 0.02542 0.01267 0.03935 -1.02661 D6 1.05748 0.00359 0.01676 0.02141 0.04005 1.09753 D7 -1.04298 0.00407 -0.03018 0.02971 -0.00005 -1.04303 D8 1.04779 0.00391 -0.03891 0.04741 0.00958 1.05737 D9 -3.11196 0.00362 -0.04758 0.05615 0.01029 -3.10168 D10 -1.09002 -0.00386 -0.07673 0.05494 -0.02329 -1.11332 D11 2.97260 0.01345 0.02134 0.03890 0.06054 3.03314 D12 1.00591 -0.00906 -0.01081 -0.04710 -0.05670 0.94921 D13 1.46104 -0.00171 -0.02363 -0.01014 -0.03334 1.42770 D14 -1.65786 -0.00055 -0.03145 0.04131 0.01122 -1.64664 D15 -2.72975 -0.00262 0.01151 -0.05312 -0.04643 -2.77618 D16 0.43454 -0.00146 0.00368 -0.00167 -0.00187 0.43266 D17 -0.68869 0.00253 0.02901 -0.01641 0.01559 -0.67309 D18 2.47561 0.00369 0.02119 0.03505 0.06015 2.53576 D19 -3.07813 0.00105 -0.03802 0.04660 0.00857 -3.06956 D20 0.06531 0.00106 -0.04324 0.07770 0.03724 0.10255 D21 -0.01711 0.00119 0.02051 -0.05794 -0.03541 -0.05252 D22 3.12633 0.00121 0.01529 -0.02683 -0.00674 3.11959 D23 3.09601 0.00036 0.01683 -0.06261 -0.04482 3.05119 D24 -0.03286 0.00064 0.00584 0.00158 0.00992 -0.02294 D25 0.02904 0.00071 -0.03614 0.03057 -0.00272 0.02632 D26 -3.09983 0.00099 -0.04712 0.09476 0.05203 -3.04780 D27 -3.13804 -0.00044 -0.01417 0.04034 0.02512 -3.11292 D28 0.00146 -0.00043 -0.00838 0.00524 -0.00365 -0.00219 D29 3.11975 0.00015 0.02509 -0.06295 -0.03919 3.08056 D30 -0.00140 0.00056 0.02847 -0.06086 -0.03246 -0.03386 D31 -0.01986 0.00018 0.01946 -0.02977 -0.01057 -0.03044 D32 -3.14101 0.00059 0.02284 -0.02768 -0.00385 3.13833 D33 -3.10545 0.00023 -0.01499 0.10357 0.08728 -3.01817 D34 0.02424 0.00082 -0.01036 0.03707 0.02724 0.05148 D35 3.13184 -0.00006 0.01008 -0.00575 0.00493 3.13677 D36 -0.03179 -0.00123 0.01721 -0.05459 -0.03737 -0.06916 D37 -0.02047 0.00014 0.01391 -0.06555 -0.05203 -0.07250 D38 3.09909 -0.00103 0.02104 -0.11439 -0.09433 3.00476 D39 3.13028 0.00047 0.00348 -0.02447 -0.01982 3.11046 D40 -0.02310 -0.00019 0.00168 -0.03186 -0.02975 -0.05284 D41 0.01305 0.00117 -0.00534 0.02968 0.02309 0.03614 D42 -3.14033 0.00051 -0.00713 0.02228 0.01316 -3.12717 D43 0.01193 -0.00085 -0.01197 0.01140 -0.00045 0.01147 D44 3.13217 -0.00133 -0.01574 0.01165 -0.00498 3.12719 D45 -3.11676 -0.00016 -0.01031 0.01814 0.00752 -3.10924 D46 0.00349 -0.00064 -0.01407 0.01838 0.00299 0.00648 D47 2.02968 0.00292 -0.00809 0.05048 0.04122 2.07089 D48 -0.09099 0.00137 0.02599 -0.02874 -0.00417 -0.09516 D49 -2.15579 -0.00496 0.00998 -0.05119 -0.04219 -2.19798 D50 -1.08939 0.00327 -0.00425 0.04953 0.04482 -1.04457 D51 3.07312 0.00171 0.02983 -0.02969 -0.00056 3.07256 D52 1.00832 -0.00461 0.01382 -0.05214 -0.03858 0.96974 D53 -0.08225 0.00045 0.06031 -0.10888 -0.04827 -0.13052 D54 3.07185 0.00079 0.04953 -0.04548 0.00775 3.07960 D55 0.13651 -0.00031 -0.07189 0.11764 0.04421 0.18073 D56 -2.02673 0.00504 -0.05055 0.09147 0.04252 -1.98420 D57 2.26030 -0.00325 -0.05709 0.09556 0.03487 2.29516 Item Value Threshold Converged? Maximum Force 0.204355 0.000450 NO RMS Force 0.026070 0.000300 NO Maximum Displacement 0.448718 0.001800 NO RMS Displacement 0.130451 0.001200 NO Predicted change in Energy=-5.189481D-02 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.921971 -5.043137 2.053041 2 6 0 7.284781 -4.739921 3.519272 3 8 0 6.678297 -6.457354 1.981554 4 7 0 2.710425 -1.936910 0.332573 5 6 0 3.759401 -2.688306 0.797596 6 7 0 4.969151 -2.208438 0.775117 7 6 0 5.985932 -2.953295 1.196644 8 8 0 7.128107 -2.507989 1.316400 9 7 0 5.786702 -4.286330 1.614192 10 6 0 4.540457 -4.762714 1.653961 11 6 0 3.523462 -3.966806 1.253684 12 1 0 7.762352 -4.783789 1.411267 13 1 0 8.158284 -5.349041 3.741215 14 1 0 7.500248 -3.686499 3.637225 15 6 0 1.430888 -2.353782 0.408081 16 1 0 2.832079 -1.010563 0.013931 17 1 0 4.318976 -5.749834 1.969893 18 6 0 2.162182 -4.543639 1.297449 19 1 0 6.434762 -5.051119 4.133394 20 1 0 7.471496 -6.971795 2.184230 21 8 0 0.527484 -1.592909 0.060760 22 1 0 2.093179 -5.430984 0.657627 23 8 0 1.154178 -3.554719 0.930125 24 1 0 1.945207 -4.908127 2.306770 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.540586 0.000000 3 O 1.436836 2.383690 0.000000 4 N 5.508700 6.239924 6.236791 0.000000 5 C 4.138022 4.903565 4.911969 1.371566 0.000000 6 N 3.671800 4.393283 4.736028 2.317631 1.301642 7 C 2.444795 3.205252 3.657032 3.536750 2.277477 8 O 2.648038 3.139859 4.030167 4.561793 3.413187 9 N 1.433242 2.465627 2.375551 4.077475 2.707482 10 C 2.430949 3.318316 2.747632 3.616663 2.376254 11 C 3.653399 4.458488 4.084802 2.372752 1.377769 12 H 1.088749 2.161871 2.073939 5.898327 4.559743 13 H 2.114706 1.087793 2.552475 7.276033 5.924068 14 H 2.164373 1.081683 3.330839 6.076528 4.801440 15 C 6.331708 7.045653 6.844737 1.347850 2.384450 16 H 6.094820 6.783957 6.952155 0.987143 2.070960 17 H 2.698503 3.495211 2.463152 4.450465 3.325712 18 C 4.845205 5.587132 4.952333 2.833124 2.498644 19 H 2.136658 1.093857 2.582097 6.165649 4.885488 20 H 2.009704 2.607386 0.966898 7.172621 5.835296 21 O 7.534104 8.217423 8.073709 2.226533 3.491147 22 H 5.041313 5.968191 4.881549 3.563033 3.212191 23 O 6.061664 6.759636 6.328245 2.322989 2.748713 24 H 4.985057 5.478093 4.990793 3.648444 3.239833 6 7 8 9 10 6 N 0.000000 7 C 1.329037 0.000000 8 O 2.245842 1.231747 0.000000 9 N 2.385387 1.411035 2.247341 0.000000 10 C 2.735045 2.360622 3.448719 1.334785 0.000000 11 C 2.326134 2.663497 3.889157 2.313940 1.352025 12 H 3.852153 2.559773 2.364430 2.047397 3.231091 13 H 5.369516 4.115040 3.874606 3.358272 4.217711 14 H 4.096679 2.964317 2.629373 2.718216 3.721820 15 C 3.560217 4.661510 5.771233 4.915543 4.126087 16 H 2.565421 3.888419 4.732289 4.692683 4.436991 17 H 3.793639 3.346234 4.339104 2.102995 1.059845 18 C 3.688505 4.142514 5.366995 3.647421 2.414806 19 H 4.637550 3.636869 3.857939 2.711322 3.133554 20 H 5.562095 4.396654 4.560330 3.221055 3.708397 21 O 4.540659 5.738949 6.781019 6.109586 5.356296 22 H 4.320858 4.645751 5.859042 3.983385 2.725515 23 O 4.048520 4.876330 6.077226 4.739565 3.667434 24 H 4.333419 4.623982 5.796891 3.952643 2.680043 11 12 13 14 15 11 C 0.000000 12 H 4.319778 0.000000 13 H 5.438747 2.430007 0.000000 14 H 4.644854 2.495523 1.791053 0.000000 15 C 2.774123 6.855563 8.083268 7.002902 0.000000 16 H 3.279385 6.363754 7.815593 6.486963 1.980638 17 H 2.079660 3.619688 4.247177 4.142202 4.723714 18 C 1.479099 5.606472 6.524869 5.891027 2.474114 19 H 4.236052 3.040385 1.792510 1.801009 6.796495 20 H 5.048054 2.338684 2.351428 3.592380 7.808309 21 O 4.004290 8.021776 9.267329 8.111329 1.231137 22 H 2.131855 5.755549 6.804464 6.415421 3.157543 23 O 2.426522 6.738699 7.757534 6.900606 1.338413 24 H 2.118010 5.886982 6.391743 5.841316 3.224007 16 17 18 19 20 16 H 0.000000 17 H 5.338289 0.000000 18 C 3.818220 2.561025 0.000000 19 H 6.802601 3.105719 5.153160 0.000000 20 H 7.859432 3.387848 5.905179 2.926270 0.000000 21 O 2.377494 5.941399 3.592832 7.965017 9.036639 22 H 4.527741 2.603435 1.096136 5.574459 5.799215 23 O 3.182372 3.989435 1.459096 6.354897 7.290932 24 H 4.608108 2.541011 1.094833 4.849032 5.900306 21 22 23 24 21 O 0.000000 22 H 4.187896 0.000000 23 O 2.235451 2.115738 0.000000 24 H 4.247960 1.736361 2.086287 0.000000 Stoichiometry C8H9N3O4 Framework group C1[X(C8H9N3O4)] Deg. of freedom 66 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 2.983265 -0.232741 -0.210886 2 6 0 3.613829 -0.128492 1.190872 3 8 0 3.282097 -1.553670 -0.690828 4 7 0 -2.392196 0.966359 -0.099718 5 6 0 -1.051125 0.679062 -0.086239 6 7 0 -0.175132 1.639123 -0.158294 7 6 0 1.122525 1.352684 -0.177765 8 8 0 1.993477 2.221561 -0.116959 9 7 0 1.571883 0.015126 -0.183590 10 6 0 0.667511 -0.961934 -0.088113 11 6 0 -0.643432 -0.635903 -0.032395 12 1 0 3.437793 0.506810 -0.868032 13 1 0 4.676280 -0.317194 1.053452 14 1 0 3.439893 0.856411 1.602880 15 6 0 -3.337921 0.018350 0.053841 16 1 0 -2.727503 1.894602 -0.119350 17 1 0 0.937199 -1.986790 -0.073595 18 6 0 -1.609869 -1.752265 0.054039 19 1 0 3.162364 -0.911315 1.807224 20 1 0 4.232601 -1.691684 -0.802119 21 8 0 -4.520376 0.352936 0.128337 22 1 0 -1.521480 -2.413670 -0.815584 23 8 0 -2.976191 -1.261825 0.200988 24 1 0 -1.369786 -2.386008 0.913917 --------------------------------------------------------------------- Rotational constants (GHZ): 1.4934974 0.3584013 0.3020827 Standard basis: 6-31G(d) (6D, 7F) There are 243 symmetry adapted cartesian basis functions of A symmetry. There are 243 symmetry adapted basis functions of A symmetry. 243 basis functions, 456 primitive gaussians, 243 cartesian basis functions 55 alpha electrons 55 beta electrons nuclear repulsion energy 1023.9132711559 Hartrees. NAtoms= 24 NActive= 24 NUniq= 24 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. One-electron integrals computed using PRISM. NBasis= 243 RedAO= T EigKep= 8.26D-04 NBF= 243 NBsUse= 243 1.00D-06 EigRej= -1.00D+00 NBFU= 243 Lowest energy guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 0.000000 -0.000000 Rot= 0.999959 -0.001838 0.001141 -0.008752 Ang= -1.03 deg. B after Tr= 0.000000 0.000000 -0.000000 Rot= 0.999792 0.001275 0.003771 -0.020013 Ang= 2.34 deg. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -770.991543224 A.U. after 15 cycles NFock= 15 Conv=0.37D-08 -V/T= 2.0020 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 0.045975756 -0.027427952 0.024758320 2 6 -0.008768226 -0.002404340 -0.017322041 3 8 -0.006371407 0.013527525 -0.009873056 4 7 0.022206841 -0.025832424 0.011962455 5 6 0.036169993 0.026006760 -0.011419140 6 7 -0.035098316 0.011299848 -0.012587259 7 6 0.078769695 0.017167527 0.023069071 8 8 -0.038941523 -0.019436758 -0.008995281 9 7 -0.020682623 -0.007856455 -0.009747452 10 6 -0.004012173 0.028323043 -0.012464844 11 6 -0.017758757 -0.041429876 0.014088651 12 1 -0.009311168 -0.000034736 0.002180703 13 1 -0.001639283 0.005255749 0.007258455 14 1 0.001279364 -0.002028483 0.004029817 15 6 -0.085048187 0.039378111 -0.009586573 16 1 0.006803207 0.009214565 -0.003156835 17 1 0.010600170 -0.011230625 0.005277578 18 6 -0.022753270 0.000638687 0.000163606 19 1 0.008533384 0.003235293 0.001164412 20 1 -0.014476271 0.019205333 -0.004408880 21 8 0.051611567 -0.052375799 0.019241518 22 1 -0.009063464 0.014444944 -0.003132565 23 8 0.020166346 -0.008299771 -0.002626451 24 1 -0.008191653 0.010659834 -0.007874210 ------------------------------------------------------------------- Cartesian Forces: Max 0.085048187 RMS 0.023392169 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.075670221 RMS 0.013001871 Search for a local minimum. Step number 17 out of a maximum of 134 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Update second derivatives using D2CorX and points 2 4 3 5 6 7 8 9 10 11 12 13 14 16 17 15 ITU= 0 0 1 0 0 0 0 1 1 1 1 1 1 -1 1 1 0 Use linear search instead of GDIIS. Energy rises -- skip Quadratic/GDIIS search. Quartic linear search produced a step of -0.99584. Iteration 1 RMS(Cart)= 0.08762567 RMS(Int)= 0.00411164 Iteration 2 RMS(Cart)= 0.00505457 RMS(Int)= 0.00001526 Iteration 3 RMS(Cart)= 0.00001582 RMS(Int)= 0.00000529 Iteration 4 RMS(Cart)= 0.00000000 RMS(Int)= 0.00000529 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.91129 -0.00398 -0.04068 0.00000 -0.04068 2.87060 R2 2.71523 -0.02797 -0.07494 0.00000 -0.07494 2.64029 R3 2.70843 0.00952 0.07028 0.00000 0.07028 2.77872 R4 2.05744 -0.00848 -0.02020 0.00000 -0.02020 2.03724 R5 2.05563 -0.00278 -0.00246 0.00000 -0.00246 2.05318 R6 2.04408 -0.00128 0.00019 0.00000 0.00019 2.04427 R7 2.06709 -0.00690 -0.01685 0.00000 -0.01685 2.05024 R8 1.82717 -0.02302 -0.03611 0.00000 -0.03611 1.79106 R9 2.59188 -0.01204 -0.01460 0.00000 -0.01460 2.57728 R10 2.54707 0.02557 0.05397 0.00000 0.05397 2.60103 R11 1.86543 0.01050 0.01966 0.00000 0.01966 1.88509 R12 2.45975 -0.00700 -0.03149 0.00000 -0.03149 2.42826 R13 2.60361 0.02507 0.08915 0.00000 0.08915 2.69275 R14 2.51152 0.02293 0.06761 0.00000 0.06761 2.57913 R15 2.32767 -0.04401 -0.06389 0.00000 -0.06389 2.26378 R16 2.66647 0.00125 -0.00944 0.00000 -0.00944 2.65703 R17 2.52238 0.01018 0.02976 0.00000 0.02976 2.55213 R18 2.55496 0.00017 -0.01672 0.00000 -0.01672 2.53823 R19 2.00282 0.00982 0.02166 0.00000 0.02166 2.02448 R20 2.79509 0.02258 0.04852 0.00000 0.04852 2.84361 R21 2.32651 -0.07567 -0.09051 0.00000 -0.09051 2.23600 R22 2.52923 -0.01848 -0.02952 0.00000 -0.02952 2.49971 R23 2.07140 -0.00929 -0.02734 0.00000 -0.02734 2.04406 R24 2.75729 -0.02751 -0.06972 0.00000 -0.06972 2.68757 R25 2.06894 -0.00918 -0.02566 0.00000 -0.02566 2.04327 A1 1.85564 0.02005 0.09743 0.00000 0.09743 1.95308 A2 1.95414 0.00519 -0.01187 0.00000 -0.01188 1.94226 A3 1.90959 -0.00380 0.01865 0.00000 0.01866 1.92825 A4 1.94998 -0.02659 -0.09890 0.00000 -0.09890 1.85107 A5 1.91350 0.00251 0.02297 0.00000 0.02299 1.93649 A6 1.88087 0.00280 -0.03220 0.00000 -0.03220 1.84867 A7 1.84739 0.01111 0.07354 0.00000 0.07354 1.92093 A8 1.92023 0.00321 0.00363 0.00000 0.00363 1.92387 A9 1.87060 0.00686 0.05438 0.00000 0.05439 1.92499 A10 1.94242 -0.00728 -0.05372 0.00000 -0.05372 1.88869 A11 1.92853 -0.00707 -0.03673 0.00000 -0.03672 1.89180 A12 1.95049 -0.00530 -0.03759 0.00000 -0.03759 1.91290 A13 1.95425 -0.01501 -0.04427 0.00000 -0.04427 1.90997 A14 2.13839 0.01208 0.06385 0.00000 0.06385 2.20225 A15 2.12855 -0.01110 -0.07417 0.00000 -0.07417 2.05439 A16 2.01011 -0.00090 0.01626 0.00000 0.01627 2.02637 A17 2.09785 -0.00745 -0.03853 0.00000 -0.03853 2.05932 A18 2.08246 -0.01500 -0.04453 0.00000 -0.04453 2.03793 A19 2.10247 0.02247 0.08346 0.00000 0.08346 2.18593 A20 2.09318 -0.00050 -0.00235 0.00000 -0.00234 2.09083 A21 2.13843 0.01150 0.02347 0.00000 0.02347 2.16190 A22 2.11216 -0.01803 -0.06725 0.00000 -0.06724 2.04491 A23 2.03051 0.00683 0.04583 0.00000 0.04583 2.07635 A24 2.06874 -0.00525 -0.02427 0.00000 -0.02427 2.04447 A25 2.14358 -0.00824 -0.02673 0.00000 -0.02673 2.11685 A26 2.06896 0.01353 0.05280 0.00000 0.05280 2.12176 A27 2.07531 0.01058 0.04235 0.00000 0.04235 2.11767 A28 2.13697 -0.01833 -0.11637 0.00000 -0.11637 2.02060 A29 2.07071 0.00775 0.07413 0.00000 0.07413 2.14484 A30 2.11234 -0.02814 -0.10716 0.00000 -0.10716 2.00518 A31 2.12856 -0.00676 -0.03078 0.00000 -0.03078 2.09779 A32 2.04198 0.03489 0.13797 0.00000 0.13796 2.17995 A33 2.08249 0.00911 0.04044 0.00000 0.04044 2.12293 A34 2.08936 -0.00395 -0.04836 0.00000 -0.04836 2.04101 A35 2.10932 -0.00488 0.00992 0.00000 0.00992 2.11925 A36 1.93518 0.00479 0.01355 0.00000 0.01355 1.94873 A37 1.94340 0.00834 0.03088 0.00000 0.03089 1.97429 A38 1.91719 0.00605 0.03135 0.00000 0.03135 1.94854 A39 1.93716 -0.01312 -0.08616 0.00000 -0.08617 1.85100 A40 1.82982 0.00464 0.05791 0.00000 0.05792 1.88774 A41 1.89738 -0.01118 -0.05030 0.00000 -0.05030 1.84709 A42 2.16943 0.00553 0.04152 0.00000 0.04153 2.21095 D1 1.02208 0.01004 0.07150 0.00000 0.07149 1.09357 D2 3.12248 0.00962 0.05308 0.00000 0.05307 -3.10763 D3 -1.03657 0.00931 0.04361 0.00000 0.04361 -0.99296 D4 -3.12701 -0.00639 0.00497 0.00000 0.00497 -3.12205 D5 -1.02661 -0.00681 -0.01346 0.00000 -0.01346 -1.04007 D6 1.09753 -0.00712 -0.02292 0.00000 -0.02292 1.07461 D7 -1.04303 -0.00213 -0.03050 0.00000 -0.03050 -1.07353 D8 1.05737 -0.00255 -0.04893 0.00000 -0.04892 1.00845 D9 -3.10168 -0.00286 -0.05840 0.00000 -0.05839 3.12312 D10 -1.11332 -0.00190 -0.05446 0.00000 -0.05445 -1.16777 D11 3.03314 -0.00553 -0.03869 0.00000 -0.03870 2.99444 D12 0.94921 0.00617 0.04552 0.00000 0.04551 0.99472 D13 1.42770 -0.00303 0.00928 0.00000 0.00929 1.43699 D14 -1.64664 -0.00420 -0.04301 0.00000 -0.04301 -1.68965 D15 -2.77618 0.00789 0.05788 0.00000 0.05789 -2.71830 D16 0.43266 0.00671 0.00559 0.00000 0.00559 0.43825 D17 -0.67309 -0.00331 0.01384 0.00000 0.01383 -0.65926 D18 2.53576 -0.00448 -0.03846 0.00000 -0.03846 2.49729 D19 -3.06956 0.00072 -0.04701 0.00000 -0.04701 -3.11656 D20 0.10255 -0.00055 -0.08085 0.00000 -0.08086 0.02169 D21 -0.05252 0.00144 0.05602 0.00000 0.05603 0.00352 D22 3.11959 0.00017 0.02218 0.00000 0.02218 -3.14141 D23 3.05119 0.00220 0.06167 0.00000 0.06166 3.11285 D24 -0.02294 -0.00231 -0.00397 0.00000 -0.00398 -0.02692 D25 0.02632 0.00229 -0.03387 0.00000 -0.03386 -0.00754 D26 -3.04780 -0.00222 -0.09950 0.00000 -0.09950 3.13588 D27 -3.11292 -0.00183 -0.03936 0.00000 -0.03937 3.13090 D28 -0.00219 -0.00121 -0.00485 0.00000 -0.00485 -0.00704 D29 3.08056 0.00082 0.06443 0.00000 0.06443 -3.13819 D30 -0.03386 0.00090 0.06115 0.00000 0.06115 0.02729 D31 -0.03044 0.00008 0.03022 0.00000 0.03023 -0.00021 D32 3.13833 0.00016 0.02694 0.00000 0.02695 -3.11791 D33 -3.01817 -0.00372 -0.10209 0.00000 -0.10209 -3.12026 D34 0.05148 0.00163 -0.03761 0.00000 -0.03761 0.01387 D35 3.13677 -0.00164 0.00529 0.00000 0.00530 -3.14111 D36 -0.06916 -0.00133 0.05463 0.00000 0.05464 -0.01452 D37 -0.07250 0.00366 0.06589 0.00000 0.06590 -0.00660 D38 3.00476 0.00397 0.11523 0.00000 0.11523 3.11999 D39 3.11046 0.00106 0.02325 0.00000 0.02325 3.13372 D40 -0.05284 0.00094 0.03132 0.00000 0.03132 -0.02152 D41 0.03614 0.00058 -0.02839 0.00000 -0.02839 0.00775 D42 -3.12717 0.00046 -0.02032 0.00000 -0.02032 3.13570 D43 0.01147 0.00035 -0.01167 0.00000 -0.01167 -0.00020 D44 3.12719 -0.00029 -0.01097 0.00000 -0.01098 3.11622 D45 -3.10924 0.00080 -0.01792 0.00000 -0.01792 -3.12715 D46 0.00648 0.00016 -0.01722 0.00000 -0.01722 -0.01074 D47 2.07089 -0.00729 -0.04924 0.00000 -0.04923 2.02166 D48 -0.09516 0.00015 0.03046 0.00000 0.03047 -0.06469 D49 -2.19798 0.00473 0.05211 0.00000 0.05212 -2.14587 D50 -1.04457 -0.00632 -0.04894 0.00000 -0.04893 -1.09350 D51 3.07256 0.00113 0.03075 0.00000 0.03076 3.10332 D52 0.96974 0.00571 0.05241 0.00000 0.05241 1.02215 D53 -0.13052 0.00183 0.10911 0.00000 0.10911 -0.02141 D54 3.07960 -0.00330 0.04241 0.00000 0.04241 3.12201 D55 0.18073 -0.00089 -0.11679 0.00000 -0.11679 0.06394 D56 -1.98420 -0.00358 -0.09351 0.00000 -0.09351 -2.07772 D57 2.29516 0.00453 -0.09251 0.00000 -0.09249 2.20267 Item Value Threshold Converged? Maximum Force 0.075670 0.000450 NO RMS Force 0.013002 0.000300 NO Maximum Displacement 0.385742 0.001800 NO RMS Displacement 0.087391 0.001200 NO Predicted change in Energy=-2.541917D-04 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.959727 -5.046080 2.087957 2 6 0 7.327722 -4.718828 3.524976 3 8 0 6.602781 -6.388097 1.934024 4 7 0 2.735048 -1.976336 0.421024 5 6 0 3.787600 -2.740960 0.830340 6 7 0 4.962478 -2.222308 0.787435 7 6 0 6.040659 -2.950265 1.200147 8 8 0 7.163403 -2.532676 1.211284 9 7 0 5.797801 -4.262508 1.642852 10 6 0 4.549947 -4.777974 1.675883 11 6 0 3.486856 -4.059925 1.277937 12 1 0 7.766251 -4.782938 1.422760 13 1 0 8.199215 -5.293281 3.826595 14 1 0 7.565993 -3.667903 3.620048 15 6 0 1.410324 -2.349971 0.422277 16 1 0 2.929645 -1.050515 0.104658 17 1 0 4.472340 -5.788179 2.023971 18 6 0 2.068983 -4.563204 1.251524 19 1 0 6.507005 -4.967526 4.189560 20 1 0 7.361897 -6.935480 2.083748 21 8 0 0.556092 -1.608702 0.074621 22 1 0 1.953108 -5.394323 0.569012 23 8 0 1.134043 -3.576837 0.832453 24 1 0 1.741081 -4.883182 2.230913 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.519058 0.000000 3 O 1.397182 2.417256 0.000000 4 N 5.481779 6.184532 6.059057 0.000000 5 C 4.117956 4.868828 4.737613 1.363839 0.000000 6 N 3.695138 4.395580 4.621586 2.270727 1.284981 7 C 2.454655 3.192049 3.559951 3.533077 2.292780 8 O 2.669689 3.187387 3.962439 4.532587 3.403607 9 N 1.470434 2.468052 2.291486 4.012468 2.648809 10 C 2.459415 3.337466 2.621691 3.566189 2.333569 11 C 3.699928 4.498399 3.944595 2.375050 1.424943 12 H 1.078059 2.148425 2.047337 5.847520 4.511130 13 H 2.149489 1.086494 2.707222 7.242732 5.912210 14 H 2.148076 1.081783 3.342141 6.035991 4.787269 15 C 6.390568 7.088993 6.749330 1.376408 2.443528 16 H 6.011619 6.670695 6.732629 0.997546 2.029853 17 H 2.596516 3.398490 2.215123 4.485284 3.343527 18 C 4.985194 5.731243 4.934711 2.797366 2.540003 19 H 2.151247 1.084942 2.667328 6.113653 4.861802 20 H 1.931733 2.644211 0.947788 6.983230 5.651604 21 O 7.541592 8.211748 7.928584 2.236738 3.506531 22 H 5.243538 6.170940 4.946747 3.509412 3.236355 23 O 6.137879 6.849488 6.246899 2.300890 2.782097 24 H 5.223144 5.736913 5.097945 3.565589 3.277036 6 7 8 9 10 6 N 0.000000 7 C 1.364817 0.000000 8 O 2.262752 1.197939 0.000000 9 N 2.364723 1.406041 2.245760 0.000000 10 C 2.736960 2.406048 3.476689 1.350531 0.000000 11 C 2.407258 2.785554 3.981699 2.348333 1.343174 12 H 3.849884 2.527037 2.339193 2.047946 3.226253 13 H 5.398503 4.128840 3.941281 3.405586 4.267114 14 H 4.109955 2.949164 2.693133 2.718338 3.756137 15 C 3.573155 4.733438 5.809804 4.939388 4.162206 16 H 2.443704 3.806251 4.620186 4.572664 4.357531 17 H 3.805876 3.345455 4.301230 2.056640 1.071309 18 C 3.750664 4.287006 5.484320 3.761334 2.526141 19 H 4.636404 3.636401 3.902497 2.736009 3.191329 20 H 5.445331 4.290497 4.492803 3.128189 3.567667 21 O 4.505646 5.757349 6.767738 6.080916 5.344081 22 H 4.377864 4.804147 5.979022 4.149193 2.889398 23 O 4.061242 4.960108 6.130821 4.783046 3.717863 24 H 4.420552 4.825456 5.997174 4.145845 2.865110 11 12 13 14 15 11 C 0.000000 12 H 4.342458 0.000000 13 H 5.497559 2.495262 0.000000 14 H 4.720013 2.472141 1.756555 0.000000 15 C 2.822779 6.878815 8.145029 7.060803 0.000000 16 H 3.277746 6.249890 7.721544 6.380000 2.024304 17 H 2.124761 3.495971 4.169409 4.075993 4.874694 18 C 1.504776 5.704074 6.689077 6.052155 2.453544 19 H 4.292155 3.045481 1.761089 1.770542 6.857126 20 H 4.892248 2.287760 2.536816 3.616481 7.694712 21 O 4.005726 7.992474 9.277432 8.120903 1.183240 22 H 2.153038 5.907225 7.045276 6.617690 3.095840 23 O 2.442859 6.766781 7.863061 7.010632 1.322791 24 H 2.152590 6.079953 6.664974 6.110335 3.130131 16 17 18 19 20 16 H 0.000000 17 H 5.339394 0.000000 18 C 3.794077 2.805952 0.000000 19 H 6.695290 3.082711 5.337750 0.000000 20 H 7.628529 3.109567 5.859627 3.006348 0.000000 21 O 2.438489 6.050206 3.521792 7.976703 8.873000 22 H 4.476373 2.935738 1.081670 5.833396 5.824481 23 O 3.183736 4.177796 1.422200 6.486363 7.185568 24 H 4.541253 2.884722 1.081253 5.153392 5.985579 21 22 23 24 21 O 0.000000 22 H 4.065342 0.000000 23 O 2.186753 2.010852 0.000000 24 H 4.095853 1.751610 2.007666 0.000000 Stoichiometry C8H9N3O4 Framework group C1[X(C8H9N3O4)] Deg. of freedom 66 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 3.020341 -0.276368 -0.183128 2 6 0 3.642332 -0.150121 1.196991 3 8 0 3.143757 -1.570931 -0.694001 4 7 0 -2.314972 0.972628 -0.027103 5 6 0 -0.987503 0.662935 -0.071498 6 7 0 -0.144861 1.630021 -0.148146 7 6 0 1.193087 1.362679 -0.182073 8 8 0 2.041516 2.206932 -0.231687 9 7 0 1.578710 0.011003 -0.147176 10 6 0 0.667342 -0.982363 -0.066136 11 6 0 -0.649394 -0.720506 -0.024217 12 1 0 3.449315 0.446839 -0.857787 13 1 0 4.709552 -0.346912 1.144235 14 1 0 3.501761 0.851613 1.580427 15 6 0 -3.354866 0.077632 0.082908 16 1 0 -2.567570 1.937120 -0.059483 17 1 0 1.063304 -1.977700 -0.051331 18 6 0 -1.733090 -1.762854 0.034629 19 1 0 3.195379 -0.866618 1.878141 20 1 0 4.057797 -1.758515 -0.860268 21 8 0 -4.480235 0.438155 0.143116 22 1 0 -1.732382 -2.389568 -0.846983 23 8 0 -3.039069 -1.206358 0.120545 24 1 0 -1.626539 -2.400410 0.901392 --------------------------------------------------------------------- Rotational constants (GHZ): 1.4849579 0.3591239 0.3024286 Standard basis: 6-31G(d) (6D, 7F) There are 243 symmetry adapted cartesian basis functions of A symmetry. There are 243 symmetry adapted basis functions of A symmetry. 243 basis functions, 456 primitive gaussians, 243 cartesian basis functions 55 alpha electrons 55 beta electrons nuclear repulsion energy 1024.7894385641 Hartrees. NAtoms= 24 NActive= 24 NUniq= 24 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. One-electron integrals computed using PRISM. NBasis= 243 RedAO= T EigKep= 8.43D-04 NBF= 243 NBsUse= 243 1.00D-06 EigRej= -1.00D+00 NBFU= 243 Lowest energy guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 -0.000000 -0.000000 Rot= 1.000000 -0.000006 0.000005 -0.000036 Ang= -0.00 deg. B after Tr= -0.000000 -0.000000 0.000000 Rot= 0.999960 0.001832 -0.001135 0.008716 Ang= 1.03 deg. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -771.021435079 A.U. after 6 cycles NFock= 6 Conv=0.53D-08 -V/T= 2.0017 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 -0.001156802 0.001780633 -0.000540393 2 6 0.000465779 0.000126043 0.000610338 3 8 0.000123117 -0.000437230 -0.000096616 4 7 0.001003041 -0.001062567 -0.000245530 5 6 -0.000326758 -0.000012733 0.000151006 6 7 0.000207554 0.000194416 -0.000059022 7 6 0.000268793 0.000156087 0.000100596 8 8 -0.000161368 -0.000289980 0.000152240 9 7 0.001265154 -0.001209245 0.000052298 10 6 -0.000194123 -0.000011773 0.000132335 11 6 -0.000116722 0.000292136 -0.000071119 12 1 0.000020746 -0.000208161 -0.000011751 13 1 -0.000126005 -0.000019134 -0.000157897 14 1 -0.000062686 -0.000215614 0.000015389 15 6 -0.001387045 0.001113613 -0.000725369 16 1 -0.000258768 0.000236771 0.000164677 17 1 0.000137789 0.000032709 -0.000046515 18 6 -0.000875954 0.000669874 -0.000708033 19 1 0.000023134 -0.000037064 -0.000130065 20 1 -0.000325081 0.000359699 0.000038680 21 8 0.000764605 -0.000798526 0.000179204 22 1 0.000035101 0.000058580 -0.000107649 23 8 0.000785040 -0.000696728 0.001387287 24 1 -0.000108541 -0.000021806 -0.000084091 ------------------------------------------------------------------- Cartesian Forces: Max 0.001780633 RMS 0.000550046 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.001621443 RMS 0.000267995 Search for a local minimum. Step number 18 out of a maximum of 134 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Update second derivatives using D2CorX and points 2 4 3 5 6 7 8 9 10 11 12 13 14 16 17 15 18 ITU= 0 0 0 1 0 0 0 0 1 1 1 1 1 1 -1 1 1 0 Use linear search instead of GDIIS. Eigenvalues --- -0.00275 0.00001 0.00268 0.00767 0.01336 Eigenvalues --- 0.01618 0.01755 0.01874 0.01883 0.01953 Eigenvalues --- 0.02158 0.02536 0.02602 0.05207 0.05431 Eigenvalues --- 0.05591 0.05726 0.07004 0.07676 0.07736 Eigenvalues --- 0.08482 0.08794 0.12791 0.12982 0.15588 Eigenvalues --- 0.15766 0.16008 0.16106 0.16330 0.16587 Eigenvalues --- 0.18604 0.22086 0.22667 0.23368 0.24003 Eigenvalues --- 0.24451 0.24594 0.25030 0.26542 0.27083 Eigenvalues --- 0.28946 0.31382 0.32990 0.33711 0.33744 Eigenvalues --- 0.33807 0.33853 0.33975 0.34233 0.35082 Eigenvalues --- 0.38627 0.41837 0.42296 0.44695 0.44982 Eigenvalues --- 0.46594 0.47608 0.48567 0.48954 0.50610 Eigenvalues --- 0.51420 0.57811 0.60170 0.70079 0.88470 Eigenvalues --- 0.94622 RFO step: Lambda=-2.75716162D-03 EMin=-2.75352872D-03 I= 1 Eig= -2.75D-03 Dot1= -5.92D-05 I= 1 Stepn= -6.00D-01 RXN= 6.00D-01 EDone=F Mixed 1 eigenvectors in step. Raw Step.Grad= 5.92D-05. RFO eigenvector is Hessian eigenvector with negative curvature. Taking step of 6.00D-01 in eigenvector direction(s). Step.Grad= -1.25D-05. Quartic linear search produced a step of -0.00403. Iteration 1 RMS(Cart)= 0.11411282 RMS(Int)= 0.00442304 Iteration 2 RMS(Cart)= 0.00635403 RMS(Int)= 0.00071348 Iteration 3 RMS(Cart)= 0.00001763 RMS(Int)= 0.00071339 Iteration 4 RMS(Cart)= 0.00000000 RMS(Int)= 0.00071339 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87060 0.00036 -0.00000 -0.00002 -0.00002 2.87058 R2 2.64029 0.00013 -0.00000 -0.00544 -0.00544 2.63485 R3 2.77872 -0.00162 0.00000 -0.01064 -0.01064 2.76808 R4 2.03724 -0.00003 -0.00000 -0.00256 -0.00256 2.03467 R5 2.05318 -0.00013 -0.00000 -0.00023 -0.00023 2.05294 R6 2.04427 -0.00022 0.00000 0.00061 0.00061 2.04489 R7 2.05024 -0.00009 -0.00000 0.00070 0.00070 2.05094 R8 1.79106 -0.00046 -0.00000 -0.00358 -0.00358 1.78748 R9 2.57728 -0.00042 -0.00000 -0.00638 -0.00643 2.57085 R10 2.60103 0.00041 0.00000 0.00485 0.00501 2.60605 R11 1.88509 0.00012 0.00000 0.00084 0.00084 1.88593 R12 2.42826 0.00038 -0.00000 0.01109 0.01110 2.43936 R13 2.69275 -0.00022 0.00000 -0.00671 -0.00642 2.68633 R14 2.57913 0.00008 0.00000 -0.00949 -0.01003 2.56910 R15 2.26378 -0.00025 -0.00000 -0.00336 -0.00336 2.26041 R16 2.65703 -0.00023 -0.00000 0.01391 0.01340 2.67043 R17 2.55213 0.00020 0.00000 -0.01033 -0.01033 2.54181 R18 2.53823 0.00016 -0.00000 0.00821 0.00873 2.54697 R19 2.02448 -0.00006 0.00000 0.00300 0.00300 2.02748 R20 2.84361 0.00025 0.00000 -0.00211 -0.00228 2.84133 R21 2.23600 -0.00110 -0.00000 -0.00873 -0.00873 2.22727 R22 2.49971 0.00012 -0.00000 -0.00250 -0.00228 2.49744 R23 2.04406 0.00002 -0.00000 -0.00140 -0.00140 2.04266 R24 2.68757 -0.00120 -0.00000 0.00473 0.00481 2.69237 R25 2.04327 -0.00004 -0.00000 -0.00057 -0.00057 2.04270 A1 1.95308 -0.00017 0.00000 0.01113 0.01111 1.96419 A2 1.94226 0.00062 -0.00000 -0.00287 -0.00288 1.93938 A3 1.92825 -0.00010 0.00000 -0.01057 -0.01066 1.91758 A4 1.85107 -0.00036 -0.00000 -0.00853 -0.00850 1.84257 A5 1.93649 0.00006 0.00000 0.01555 0.01556 1.95205 A6 1.84867 -0.00005 -0.00000 -0.00534 -0.00538 1.84329 A7 1.92093 -0.00021 0.00000 0.00902 0.00900 1.92993 A8 1.92387 0.00012 0.00000 -0.01030 -0.01028 1.91359 A9 1.92499 -0.00013 0.00000 0.00897 0.00895 1.93394 A10 1.88869 0.00007 -0.00000 -0.00074 -0.00072 1.88798 A11 1.89180 0.00011 -0.00000 -0.00379 -0.00387 1.88794 A12 1.91290 0.00003 -0.00000 -0.00326 -0.00324 1.90966 A13 1.90997 -0.00021 -0.00000 0.00368 0.00368 1.91366 A14 2.20225 0.00026 0.00000 -0.00414 -0.00447 2.19778 A15 2.05439 0.00012 -0.00000 -0.00173 -0.00162 2.05277 A16 2.02637 -0.00038 0.00000 0.00560 0.00572 2.03209 A17 2.05932 0.00010 -0.00000 -0.00448 -0.00353 2.05578 A18 2.03793 -0.00029 -0.00000 0.00440 0.00430 2.04224 A19 2.18593 0.00018 0.00000 0.00016 -0.00102 2.18492 A20 2.09083 -0.00012 -0.00000 0.00369 0.00002 2.09086 A21 2.16190 0.00031 0.00000 0.01359 0.01500 2.17690 A22 2.04491 -0.00003 -0.00000 -0.00581 -0.00867 2.03624 A23 2.07635 -0.00028 0.00000 -0.00773 -0.00631 2.07004 A24 2.04447 -0.00029 -0.00000 0.01186 0.01039 2.05486 A25 2.11685 0.00019 -0.00000 -0.01349 -0.01470 2.10216 A26 2.12176 0.00010 0.00000 -0.00009 -0.00488 2.11688 A27 2.11767 0.00003 0.00000 0.00437 0.00298 2.12065 A28 2.02060 -0.00015 -0.00000 0.00692 0.00752 2.02812 A29 2.14484 0.00012 0.00000 -0.01154 -0.01095 2.13389 A30 2.00518 -0.00017 -0.00000 -0.00448 -0.00509 2.00008 A31 2.09779 0.00005 -0.00000 0.00316 0.00253 2.10031 A32 2.17995 0.00012 0.00000 0.00047 0.00104 2.18098 A33 2.12293 0.00022 0.00000 -0.00281 -0.00280 2.12013 A34 2.04101 -0.00028 -0.00000 0.00195 0.00195 2.04295 A35 2.11925 0.00006 0.00000 0.00086 0.00086 2.12010 A36 1.94873 0.00001 0.00000 -0.00023 -0.00008 1.94865 A37 1.97429 0.00017 0.00000 -0.00165 -0.00220 1.97210 A38 1.94854 -0.00001 0.00000 0.00706 0.00716 1.95570 A39 1.85100 -0.00004 -0.00000 -0.00194 -0.00180 1.84920 A40 1.88774 0.00002 0.00000 -0.00339 -0.00343 1.88431 A41 1.84709 -0.00016 -0.00000 -0.00039 -0.00019 1.84690 A42 2.21095 0.00008 0.00000 -0.00045 -0.00063 2.21033 D1 1.09357 -0.00003 0.00000 0.00759 0.00761 1.10118 D2 -3.10763 0.00001 0.00000 0.00590 0.00588 -3.10175 D3 -0.99296 0.00005 0.00000 0.00094 0.00090 -0.99205 D4 -3.12205 -0.00017 0.00000 0.00224 0.00224 -3.11980 D5 -1.04007 -0.00014 -0.00000 0.00055 0.00052 -1.03955 D6 1.07461 -0.00010 -0.00000 -0.00441 -0.00446 1.07015 D7 -1.07353 0.00009 -0.00000 -0.01284 -0.01278 -1.08631 D8 1.00845 0.00013 -0.00000 -0.01454 -0.01450 0.99394 D9 3.12312 0.00017 -0.00000 -0.01949 -0.01948 3.10364 D10 -1.16777 0.00027 -0.00000 0.07048 0.07039 -1.09737 D11 2.99444 -0.00017 -0.00000 0.07303 0.07301 3.06745 D12 0.99472 0.00006 0.00000 0.07639 0.07650 1.07122 D13 1.43699 0.00008 0.00000 0.05968 0.05967 1.49666 D14 -1.68965 0.00011 -0.00000 0.18884 0.18884 -1.50081 D15 -2.71830 -0.00000 0.00000 0.06614 0.06614 -2.65215 D16 0.43825 0.00003 0.00000 0.19531 0.19531 0.63356 D17 -0.65926 -0.00012 0.00000 0.07733 0.07733 -0.58192 D18 2.49729 -0.00009 -0.00000 0.20649 0.20650 2.70379 D19 -3.11656 0.00015 -0.00000 -0.00730 -0.00728 -3.12385 D20 0.02169 0.00018 -0.00000 0.01872 0.01871 0.04040 D21 0.00352 -0.00007 0.00000 -0.02284 -0.02279 -0.01928 D22 -3.14141 -0.00004 0.00000 0.00319 0.00320 -3.13822 D23 3.11285 -0.00005 0.00000 0.00773 0.00773 3.12058 D24 -0.02692 -0.00005 -0.00000 0.00480 0.00478 -0.02214 D25 -0.00754 0.00016 -0.00000 0.02312 0.02316 0.01562 D26 3.13588 0.00016 -0.00000 0.02019 0.02021 -3.12709 D27 3.13090 0.00004 -0.00000 -0.00747 -0.00781 3.12310 D28 -0.00704 0.00001 -0.00000 -0.03594 -0.03615 -0.04319 D29 -3.13819 -0.00010 0.00000 -0.09252 -0.09266 3.05233 D30 0.02729 -0.00010 0.00000 -0.05510 -0.05521 -0.02792 D31 -0.00021 -0.00007 0.00000 -0.06439 -0.06453 -0.06474 D32 -3.11791 -0.00007 0.00000 -0.02697 -0.02708 3.13820 D33 -3.12026 0.00004 -0.00000 0.14682 0.14709 -2.97317 D34 0.01387 0.00007 -0.00000 0.15540 0.15528 0.16915 D35 -3.14111 -0.00006 0.00000 -0.05437 -0.05339 3.08868 D36 -0.01452 -0.00009 0.00000 -0.18405 -0.18380 -0.19832 D37 -0.00660 -0.00003 0.00000 -0.04613 -0.04562 -0.05223 D38 3.11999 -0.00006 0.00000 -0.17581 -0.17602 2.94396 D39 3.13372 -0.00001 0.00000 -0.04801 -0.04703 3.08669 D40 -0.02152 -0.00001 0.00000 -0.06840 -0.06776 -0.08928 D41 0.00775 0.00003 -0.00000 0.08681 0.08666 0.09441 D42 3.13570 0.00003 -0.00000 0.06641 0.06592 -3.08157 D43 -0.00020 0.00005 -0.00000 0.03564 0.03560 0.03540 D44 3.11622 0.00004 -0.00000 -0.00376 -0.00383 3.11239 D45 -3.12715 0.00005 -0.00000 0.05735 0.05744 -3.06971 D46 -0.01074 0.00005 -0.00000 0.01795 0.01802 0.00728 D47 2.02166 -0.00004 -0.00000 0.06207 0.06194 2.08360 D48 -0.06469 -0.00011 0.00000 0.06589 0.06585 0.00115 D49 -2.14587 -0.00001 0.00000 0.06252 0.06252 -2.08335 D50 -1.09350 -0.00003 -0.00000 0.10353 0.10358 -0.98993 D51 3.10332 -0.00010 0.00000 0.10735 0.10749 -3.07237 D52 1.02215 -0.00000 0.00000 0.10398 0.10416 1.12631 D53 -0.02141 -0.00021 0.00000 0.01107 0.01112 -0.01028 D54 3.12201 -0.00021 0.00000 0.00815 0.00818 3.13019 D55 0.06394 0.00026 -0.00000 -0.04496 -0.04490 0.01904 D56 -2.07772 0.00017 -0.00000 -0.04232 -0.04221 -2.11993 D57 2.20267 0.00024 -0.00000 -0.03744 -0.03745 2.16522 Item Value Threshold Converged? Maximum Force 0.001621 0.000450 NO RMS Force 0.000268 0.000300 YES Maximum Displacement 0.466707 0.001800 NO RMS Displacement 0.115159 0.001200 NO Predicted change in Energy=-5.482561D-04 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.983034 -5.023447 2.042331 2 6 0 7.235222 -4.810473 3.525081 3 8 0 6.685291 -6.350709 1.736053 4 7 0 2.747389 -2.011462 0.338730 5 6 0 3.795375 -2.738667 0.811686 6 7 0 4.975114 -2.222372 0.722469 7 6 0 6.049043 -2.904339 1.201917 8 8 0 7.149411 -2.449491 1.316365 9 7 0 5.828244 -4.246114 1.586404 10 6 0 4.584224 -4.745793 1.695679 11 6 0 3.502012 -4.024889 1.341183 12 1 0 7.820834 -4.659059 1.472592 13 1 0 8.106083 -5.373398 3.848991 14 1 0 7.421394 -3.761626 3.715390 15 6 0 1.421600 -2.389997 0.367083 16 1 0 2.943525 -1.108274 -0.037789 17 1 0 4.508875 -5.756354 2.048086 18 6 0 2.082537 -4.517525 1.397033 19 1 0 6.383047 -5.137922 4.112004 20 1 0 7.425590 -6.899850 1.948461 21 8 0 0.571776 -1.686542 -0.047761 22 1 0 1.950254 -5.419349 0.815982 23 8 0 1.146225 -3.576972 0.878795 24 1 0 1.763900 -4.723378 2.409234 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.519048 0.000000 3 O 1.394303 2.423916 0.000000 4 N 5.469460 6.174782 6.024006 0.000000 5 C 4.110459 4.846384 4.717300 1.360437 0.000000 6 N 3.690501 4.434072 4.582055 2.270351 1.290854 7 C 2.463586 3.230706 3.545078 3.527497 2.293195 8 O 2.679544 3.234197 3.951082 4.530501 3.404098 9 N 1.464805 2.461007 2.277332 4.005250 2.646723 10 C 2.439580 3.221596 2.644214 3.562561 2.330725 11 C 3.688664 4.395840 3.962150 2.372394 1.421547 12 H 1.076702 2.139761 2.054397 5.833974 4.508771 13 H 2.155858 1.086371 2.727323 7.234649 5.894848 14 H 2.140906 1.082108 3.341103 6.025880 4.756674 15 C 6.377386 7.044845 6.728132 1.379061 2.440092 16 H 5.997759 6.694698 6.680603 0.997990 2.026188 17 H 2.580436 3.241785 2.277588 4.477606 3.338294 18 C 4.968625 5.582523 4.965969 2.800426 2.537870 19 H 2.157924 1.085312 2.684649 6.101669 4.831622 20 H 1.930170 2.624398 0.945894 6.955080 5.637922 21 O 7.523805 8.180810 7.893764 2.233437 3.498172 22 H 5.195146 5.969994 4.912691 3.532264 3.254312 23 O 6.124904 6.752795 6.253780 2.303523 2.779435 24 H 5.240613 5.584627 5.226995 3.550877 3.258547 6 7 8 9 10 6 N 0.000000 7 C 1.359512 0.000000 8 O 2.265362 1.196159 0.000000 9 N 2.360032 1.413133 2.246388 0.000000 10 C 2.732688 2.404256 3.463678 1.345067 0.000000 11 C 2.408714 2.786107 3.973163 2.349560 1.347796 12 H 3.820766 2.508297 2.314608 2.038109 3.245448 13 H 5.432041 4.163492 3.984802 3.402737 4.175420 14 H 4.160669 2.989287 2.747907 2.702857 3.619025 15 C 3.575172 4.730192 5.806246 4.934615 4.161386 16 H 2.438557 3.795650 4.617583 4.561321 4.350672 17 H 3.803114 3.349942 4.294554 2.057841 1.072895 18 C 3.753634 4.286445 5.473252 3.760299 2.529770 19 H 4.687393 3.683621 3.953552 2.735285 3.037788 20 H 5.420950 4.291424 4.503501 3.118479 3.574524 21 O 4.502194 5.748493 6.760785 6.070615 5.338383 22 H 4.402179 4.824343 6.008467 4.124177 2.857506 23 O 4.064452 4.959281 6.123801 4.782235 3.722000 24 H 4.405917 4.809259 5.947156 4.174174 2.909277 11 12 13 14 15 11 C 0.000000 12 H 4.367112 0.000000 13 H 5.413414 2.497782 0.000000 14 H 4.589959 2.448485 1.756262 0.000000 15 C 2.819548 6.879025 8.105965 7.006429 0.000000 16 H 3.274158 6.219121 7.742761 6.417004 2.030515 17 H 2.124020 3.536144 4.041017 3.904050 4.867176 18 C 1.503568 5.740539 6.559552 5.869374 2.454386 19 H 4.149296 3.043523 1.758828 1.769083 6.796432 20 H 4.901904 2.324610 2.530838 3.601458 7.673814 21 O 3.997913 7.980988 9.248966 8.086071 1.178620 22 H 2.151350 5.955911 6.862615 6.409990 3.107726 23 O 2.442164 6.787777 7.777457 6.888985 1.321587 24 H 2.156306 6.129265 6.535956 5.885427 3.119650 16 17 18 19 20 16 H 0.000000 17 H 5.329714 0.000000 18 C 3.797764 2.801015 0.000000 19 H 6.729722 2.855649 5.123509 0.000000 20 H 7.587915 3.134443 5.876033 2.978624 0.000000 21 O 2.441247 6.037939 3.519133 7.936406 8.839585 22 H 4.505650 2.859754 1.080928 5.531059 5.783917 23 O 3.188242 4.174251 1.424743 6.349371 7.184437 24 H 4.521992 2.955057 1.080951 4.940425 6.083098 21 22 23 24 21 O 0.000000 22 H 4.071867 0.000000 23 O 2.182252 2.011160 0.000000 24 H 4.084159 1.748587 2.009481 0.000000 Stoichiometry C8H9N3O4 Framework group C1[X(C8H9N3O4)] Deg. of freedom 66 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 3.016220 -0.252817 -0.212425 2 6 0 3.589914 -0.320376 1.192501 3 8 0 3.139041 -1.460396 -0.898537 4 7 0 -2.314692 0.963127 -0.078791 5 6 0 -0.987389 0.665423 -0.058071 6 7 0 -0.149840 1.642656 -0.157215 7 6 0 1.186175 1.393853 -0.119336 8 8 0 2.033721 2.233978 -0.037770 9 7 0 1.580974 0.038483 -0.182975 10 6 0 0.686128 -0.956779 -0.049151 11 6 0 -0.635297 -0.708095 0.043294 12 1 0 3.466363 0.562508 -0.752706 13 1 0 4.658216 -0.514953 1.159748 14 1 0 3.434367 0.625401 1.694762 15 6 0 -3.348808 0.057824 0.034511 16 1 0 -2.572047 1.924525 -0.152724 17 1 0 1.082316 -1.953834 -0.053667 18 6 0 -1.703883 -1.759550 0.158551 19 1 0 3.118709 -1.113932 1.763584 20 1 0 4.054387 -1.671887 -1.008669 21 8 0 -4.474868 0.405796 0.027332 22 1 0 -1.665353 -2.459178 -0.664517 23 8 0 -3.021386 -1.217325 0.150184 24 1 0 -1.622483 -2.321851 1.078142 --------------------------------------------------------------------- Rotational constants (GHZ): 1.4748574 0.3608896 0.3049517 Standard basis: 6-31G(d) (6D, 7F) There are 243 symmetry adapted cartesian basis functions of A symmetry. There are 243 symmetry adapted basis functions of A symmetry. 243 basis functions, 456 primitive gaussians, 243 cartesian basis functions 55 alpha electrons 55 beta electrons nuclear repulsion energy 1025.9150468694 Hartrees. NAtoms= 24 NActive= 24 NUniq= 24 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. One-electron integrals computed using PRISM. NBasis= 243 RedAO= T EigKep= 8.51D-04 NBF= 243 NBsUse= 243 1.00D-06 EigRej= -1.00D+00 NBFU= 243 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 0.000000 -0.000000 Rot= 0.999857 -0.016855 0.000874 -0.001011 Ang= -1.94 deg. ExpMin= 1.61D-01 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn= 5 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 5 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 5 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -771.020392246 A.U. after 13 cycles NFock= 13 Conv=0.77D-08 -V/T= 2.0016 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 -0.001356455 0.004364540 0.000465202 2 6 0.000792449 -0.000150636 0.001669869 3 8 -0.000497227 -0.001174421 -0.000365148 4 7 -0.001141493 -0.000801338 0.001376418 5 6 0.007084270 0.002141223 -0.002446148 6 7 -0.006059199 0.001577188 0.001422496 7 6 -0.000439531 -0.006669301 0.002152241 8 8 0.001735455 0.001500987 -0.002297770 9 7 0.001893810 0.003892390 0.003119543 10 6 -0.007623774 -0.000986561 -0.003604498 11 6 0.003590711 -0.002855802 0.000943355 12 1 0.000780644 -0.001732119 -0.001447959 13 1 0.000125580 -0.000135289 -0.000545565 14 1 0.000134534 -0.000211018 0.000406192 15 6 0.005512817 -0.001483310 0.000636388 16 1 -0.000959223 -0.000242408 -0.000046406 17 1 0.001207876 0.000797208 0.000383044 18 6 -0.002440819 0.001420978 -0.001380570 19 1 -0.000181935 -0.000112117 -0.000424959 20 1 0.001510642 -0.001081616 0.000492098 21 8 -0.006066096 0.004657569 -0.002656709 22 1 0.000062868 -0.000306247 -0.000382590 23 8 0.002220655 -0.002994988 0.001997029 24 1 0.000113439 0.000585086 0.000534448 ------------------------------------------------------------------- Cartesian Forces: Max 0.007623774 RMS 0.002514069 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.008088802 RMS 0.001278925 Search for a local minimum. Step number 19 out of a maximum of 134 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Update second derivatives using D2CorX and points 2 4 3 5 6 7 8 9 10 11 12 13 14 16 17 15 19 18 ITU= 0 0 0 0 1 0 0 0 0 1 1 1 1 1 1 -1 1 1 0 Use linear search instead of GDIIS. Eigenvalues --- 0.00001 0.00267 0.00512 0.01275 0.01444 Eigenvalues --- 0.01649 0.01792 0.01872 0.01903 0.01998 Eigenvalues --- 0.02171 0.02557 0.02602 0.05366 0.05566 Eigenvalues --- 0.05643 0.05764 0.07034 0.07738 0.07849 Eigenvalues --- 0.08630 0.09654 0.12802 0.13094 0.15597 Eigenvalues --- 0.16000 0.16095 0.16327 0.16477 0.16893 Eigenvalues --- 0.18783 0.21940 0.23138 0.23406 0.24185 Eigenvalues --- 0.24561 0.24701 0.25120 0.26709 0.27187 Eigenvalues --- 0.28869 0.31830 0.33346 0.33705 0.33753 Eigenvalues --- 0.33807 0.33847 0.33996 0.34528 0.34980 Eigenvalues --- 0.38693 0.42112 0.42758 0.44600 0.45047 Eigenvalues --- 0.47035 0.48434 0.49010 0.50658 0.50740 Eigenvalues --- 0.55048 0.59065 0.60964 0.71217 0.88606 Eigenvalues --- 1.19907 RFO step: Lambda=-2.05710891D-04 EMin= 1.08773801D-05 Quartic linear search produced a step of -0.97154. Iteration 1 RMS(Cart)= 0.14852151 RMS(Int)= 0.03270760 Iteration 2 RMS(Cart)= 0.03932303 RMS(Int)= 0.00269097 Iteration 3 RMS(Cart)= 0.00160018 RMS(Int)= 0.00227921 Iteration 4 RMS(Cart)= 0.00000428 RMS(Int)= 0.00227921 Iteration 5 RMS(Cart)= 0.00000000 RMS(Int)= 0.00227921 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87058 0.00114 0.00002 0.00058 0.00060 2.87118 R2 2.63485 0.00190 0.00529 0.00418 0.00946 2.64431 R3 2.76808 0.00123 0.01033 -0.00467 0.00566 2.77374 R4 2.03467 0.00079 0.00249 -0.00028 0.00222 2.03689 R5 2.05294 0.00001 0.00023 -0.00165 -0.00142 2.05152 R6 2.04489 -0.00011 -0.00060 0.00052 -0.00008 2.04481 R7 2.05094 -0.00005 -0.00068 0.00001 -0.00067 2.05027 R8 1.78748 0.00192 0.00348 -0.00043 0.00305 1.79053 R9 2.57085 0.00178 0.00624 0.00044 0.00842 2.57927 R10 2.60605 -0.00056 -0.00487 -0.00134 -0.00345 2.60260 R11 1.88593 -0.00039 -0.00081 -0.00064 -0.00145 1.88448 R12 2.43936 -0.00485 -0.01078 0.00107 -0.00993 2.42943 R13 2.68633 0.00174 0.00623 -0.00288 0.00144 2.68778 R14 2.56910 0.00252 0.00974 -0.00083 0.00944 2.57855 R15 2.26041 0.00195 0.00327 0.00265 0.00591 2.26633 R16 2.67043 -0.00224 -0.01302 -0.00042 -0.01269 2.65774 R17 2.54181 0.00309 0.01003 -0.00088 0.00935 2.55116 R18 2.54697 -0.00324 -0.00849 -0.00002 -0.00904 2.53793 R19 2.02748 -0.00071 -0.00291 -0.00055 -0.00347 2.02401 R20 2.84133 0.00057 0.00222 -0.00302 -0.00357 2.83777 R21 2.22727 0.00809 0.00848 0.00267 0.01115 2.23842 R22 2.49744 0.00161 0.00221 0.00129 0.00466 2.50210 R23 2.04266 0.00045 0.00136 0.00308 0.00444 2.04710 R24 2.69237 -0.00238 -0.00467 0.00035 -0.00564 2.68674 R25 2.04270 0.00036 0.00055 -0.00178 -0.00122 2.04148 A1 1.96419 -0.00154 -0.01080 -0.00310 -0.01388 1.95031 A2 1.93938 0.00138 0.00280 -0.00310 -0.00027 1.93911 A3 1.91758 0.00060 0.01036 0.00352 0.01395 1.93154 A4 1.84257 0.00070 0.00826 0.00587 0.01412 1.85669 A5 1.95205 -0.00066 -0.01511 0.00608 -0.00901 1.94304 A6 1.84329 -0.00037 0.00523 -0.00976 -0.00449 1.83880 A7 1.92993 -0.00087 -0.00874 -0.00222 -0.01096 1.91897 A8 1.91359 0.00093 0.00998 -0.00044 0.00954 1.92313 A9 1.93394 -0.00065 -0.00869 0.00138 -0.00731 1.92662 A10 1.88798 -0.00001 0.00070 0.00147 0.00217 1.89014 A11 1.88794 0.00059 0.00376 0.00114 0.00490 1.89284 A12 1.90966 0.00002 0.00315 -0.00131 0.00183 1.91150 A13 1.91366 -0.00009 -0.00358 0.00580 0.00222 1.91587 A14 2.19778 0.00113 0.00434 0.00042 0.00082 2.19859 A15 2.05277 0.00030 0.00157 -0.00029 0.00162 2.05439 A16 2.03209 -0.00142 -0.00556 -0.00331 -0.00850 2.02359 A17 2.05578 0.00050 0.00343 0.00004 0.00858 2.06437 A18 2.04224 -0.00094 -0.00418 -0.00040 -0.00960 2.03263 A19 2.18492 0.00045 0.00099 0.00078 0.00105 2.18596 A20 2.09086 -0.00048 -0.00002 0.00230 -0.00173 2.08913 A21 2.17690 -0.00216 -0.01458 -0.00275 -0.01652 2.16038 A22 2.03624 0.00075 0.00842 0.00237 0.00905 2.04530 A23 2.07004 0.00142 0.00613 0.00039 0.00732 2.07736 A24 2.05486 -0.00075 -0.01010 0.00425 -0.00567 2.04920 A25 2.10216 0.00166 0.01428 -0.00462 0.00984 2.11200 A26 2.11688 -0.00079 0.00474 0.00331 0.00510 2.12198 A27 2.12065 -0.00050 -0.00290 0.00078 -0.00547 2.11518 A28 2.02812 -0.00096 -0.00730 -0.00176 -0.00735 2.02076 A29 2.13389 0.00147 0.01064 0.00086 0.01320 2.14709 A30 2.00008 0.00075 0.00495 0.00125 0.00768 2.00776 A31 2.10031 -0.00059 -0.00246 -0.00034 -0.01157 2.08874 A32 2.18098 -0.00015 -0.00101 -0.00297 0.00400 2.18498 A33 2.12013 0.00101 0.00272 0.00024 0.00455 2.12468 A34 2.04295 -0.00129 -0.00189 -0.00281 -0.00790 2.03506 A35 2.12010 0.00029 -0.00083 0.00257 0.00332 2.12342 A36 1.94865 -0.00017 0.00008 0.00433 0.00701 1.95566 A37 1.97210 0.00071 0.00213 0.00070 -0.00987 1.96223 A38 1.95570 -0.00054 -0.00695 -0.00332 -0.00716 1.94854 A39 1.84920 -0.00005 0.00175 0.00573 0.01134 1.86053 A40 1.88431 0.00044 0.00333 0.00526 0.00780 1.89211 A41 1.84690 -0.00038 0.00018 -0.01281 -0.00851 1.83839 A42 2.21033 0.00099 0.00061 -0.00188 -0.01214 2.19818 D1 1.10118 -0.00088 -0.00739 -0.00751 -0.01491 1.08628 D2 -3.10175 -0.00084 -0.00572 -0.00735 -0.01308 -3.11482 D3 -0.99205 -0.00063 -0.00088 -0.00838 -0.00927 -1.00132 D4 -3.11980 -0.00008 -0.00218 -0.00421 -0.00637 -3.12617 D5 -1.03955 -0.00004 -0.00051 -0.00405 -0.00454 -1.04409 D6 1.07015 0.00017 0.00433 -0.00508 -0.00073 1.06942 D7 -1.08631 0.00065 0.01241 -0.01587 -0.00346 -1.08978 D8 0.99394 0.00070 0.01409 -0.01571 -0.00163 0.99231 D9 3.10364 0.00091 0.01893 -0.01675 0.00218 3.10581 D10 -1.09737 0.00074 -0.06839 -0.24962 -0.31801 -1.41538 D11 3.06745 -0.00051 -0.07093 -0.24787 -0.31877 2.74868 D12 1.07122 -0.00015 -0.07432 -0.24262 -0.31698 0.75425 D13 1.49666 0.00073 -0.05797 0.05489 -0.00319 1.49347 D14 -1.50081 -0.00014 -0.18346 0.03194 -0.15143 -1.65224 D15 -2.65215 0.00009 -0.06426 0.05306 -0.01130 -2.66345 D16 0.63356 -0.00078 -0.18975 0.03010 -0.15954 0.47402 D17 -0.58192 -0.00050 -0.07513 0.05816 -0.01707 -0.59900 D18 2.70379 -0.00137 -0.20062 0.03520 -0.16532 2.53848 D19 -3.12385 0.00006 0.00708 0.11277 0.11941 -3.00444 D20 0.04040 -0.00029 -0.01817 0.09388 0.07537 0.11576 D21 -0.01928 0.00019 0.02215 0.00565 0.02760 0.00832 D22 -3.13822 -0.00016 -0.00311 -0.01324 -0.01645 3.12852 D23 3.12058 0.00000 -0.00751 -0.11438 -0.12126 2.99932 D24 -0.02214 0.00028 -0.00465 -0.10750 -0.11154 -0.13367 D25 0.01562 -0.00016 -0.02250 -0.00844 -0.03106 -0.01544 D26 -3.12709 0.00012 -0.01963 -0.00156 -0.02134 3.13475 D27 3.12310 0.00007 0.00758 -0.02395 -0.01632 3.10678 D28 -0.04319 0.00042 0.03512 -0.00337 0.03182 -0.01137 D29 3.05233 0.00051 0.09002 0.06102 0.15078 -3.08008 D30 -0.02792 0.00020 0.05364 0.09597 0.14878 0.12086 D31 -0.06474 0.00014 0.06270 0.04058 0.10319 0.03845 D32 3.13820 -0.00017 0.02631 0.07553 0.10119 -3.04380 D33 -2.97317 -0.00158 -0.14290 -0.03475 -0.17788 3.13213 D34 0.16915 -0.00088 -0.15086 -0.04631 -0.19713 -0.02798 D35 3.08868 0.00001 0.05187 0.03814 0.08963 -3.10488 D36 -0.19832 0.00110 0.17857 0.06062 0.23918 0.04086 D37 -0.05223 0.00066 0.04432 0.02733 0.07134 0.01911 D38 2.94396 0.00175 0.17102 0.04980 0.22089 -3.11834 D39 3.08669 0.00030 0.04569 0.00043 0.04589 3.13258 D40 -0.08928 0.00070 0.06584 -0.00343 0.06225 -0.02703 D41 0.09441 -0.00061 -0.08419 -0.02340 -0.10772 -0.01331 D42 -3.08157 -0.00021 -0.06405 -0.02726 -0.09135 3.11027 D43 0.03540 -0.00002 -0.03458 -0.02515 -0.05971 -0.02431 D44 3.11239 0.00029 0.00372 -0.06184 -0.05820 3.05419 D45 -3.06971 -0.00039 -0.05581 -0.02100 -0.07684 3.13663 D46 0.00728 -0.00008 -0.01751 -0.05769 -0.07533 -0.06805 D47 2.08360 0.00024 -0.06017 -0.23530 -0.29677 1.78683 D48 0.00115 -0.00008 -0.06397 -0.24624 -0.30948 -0.30832 D49 -2.08335 0.00030 -0.06074 -0.22777 -0.28678 -2.37012 D50 -0.98993 -0.00014 -0.10063 -0.19669 -0.29904 -1.28897 D51 -3.07237 -0.00046 -0.10443 -0.20762 -0.31175 2.89906 D52 1.12631 -0.00008 -0.10120 -0.18916 -0.28905 0.83727 D53 -0.01028 -0.00019 -0.01081 -0.08600 -0.09627 -0.10655 D54 3.13019 0.00008 -0.00795 -0.07912 -0.08655 3.04364 D55 0.01904 0.00010 0.04362 0.24973 0.29249 0.31153 D56 -2.11993 -0.00009 0.04101 0.23998 0.28205 -1.83788 D57 2.16522 -0.00040 0.03639 0.23719 0.27204 2.43725 Item Value Threshold Converged? Maximum Force 0.008089 0.000450 NO RMS Force 0.001279 0.000300 NO Maximum Displacement 0.847921 0.001800 NO RMS Displacement 0.178259 0.001200 NO Predicted change in Energy=-1.698068D-04 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.952771 -5.042173 2.135125 2 6 0 7.281794 -4.676021 3.572533 3 8 0 6.606411 -6.392185 2.010338 4 7 0 2.743444 -2.002212 0.389945 5 6 0 3.802887 -2.772072 0.774427 6 7 0 4.982901 -2.268236 0.693942 7 6 0 6.059030 -2.997355 1.108928 8 8 0 7.190756 -2.603746 1.058313 9 7 0 5.803446 -4.272810 1.643621 10 6 0 4.552718 -4.777711 1.701011 11 6 0 3.497277 -4.072858 1.261795 12 1 0 7.769500 -4.784854 1.480482 13 1 0 8.142850 -5.243663 3.911545 14 1 0 7.519430 -3.622831 3.644563 15 6 0 1.412794 -2.319210 0.550134 16 1 0 2.935662 -1.082466 0.055923 17 1 0 4.468182 -5.768710 2.098434 18 6 0 2.087317 -4.583730 1.183883 19 1 0 6.443059 -4.903669 4.222022 20 1 0 7.390866 -6.922476 1.975856 21 8 0 0.553781 -1.537044 0.319043 22 1 0 1.952525 -5.282647 0.367282 23 8 0 1.142429 -3.540076 0.985454 24 1 0 1.788171 -5.069246 2.101404 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.519364 0.000000 3 O 1.399311 2.416985 0.000000 4 N 5.477723 6.154245 6.067952 0.000000 5 C 4.114199 4.853577 4.742620 1.364891 0.000000 6 N 3.694878 4.400980 4.623380 2.275598 1.285598 7 C 2.456244 3.222176 3.554861 3.535584 2.291904 8 O 2.676208 3.259435 3.949694 4.537305 3.403907 9 N 1.467802 2.463492 2.295862 4.011350 2.647632 10 C 2.453294 3.310708 2.630563 3.563111 2.333108 11 C 3.693604 4.475028 3.950481 2.369802 1.422311 12 H 1.077875 2.150902 2.053542 5.847529 4.503757 13 H 2.147686 1.085617 2.700803 7.215418 5.897928 14 H 2.148031 1.082067 3.342696 6.002415 4.772229 15 C 6.373231 7.009609 6.759806 1.377236 2.442936 16 H 6.011616 6.645979 6.744423 0.997221 2.030540 17 H 2.588896 3.359069 2.229014 4.481089 3.342971 18 C 4.978722 5.718107 4.937180 2.779402 2.528426 19 H 2.152703 1.084959 2.670938 6.065510 4.837367 20 H 1.937224 2.758231 0.947507 6.951449 5.616305 21 O 7.518720 8.105833 7.941486 2.239651 3.505618 22 H 5.309007 6.248419 5.058593 3.374510 3.145249 23 O 6.110492 6.758339 6.248200 2.298457 2.777120 24 H 5.164781 5.700766 4.997389 3.639826 3.331209 6 7 8 9 10 6 N 0.000000 7 C 1.364508 0.000000 8 O 2.262732 1.199289 0.000000 9 N 2.365059 1.406416 2.247886 0.000000 10 C 2.738012 2.406077 3.478279 1.350014 0.000000 11 C 2.405451 2.782562 3.980135 2.346100 1.343013 12 H 3.836293 2.501783 2.295737 2.038178 3.224340 13 H 5.402908 4.152453 4.002072 3.399830 4.241771 14 H 4.120082 2.992229 2.799152 2.714930 3.729949 15 C 3.573366 4.728598 5.807241 4.928499 4.150647 16 H 2.450368 3.811961 4.628704 4.574196 4.356147 17 H 3.806685 3.345195 4.302471 2.056089 1.071061 18 C 3.739781 4.277465 5.475508 3.757345 2.526510 19 H 4.639495 3.670540 3.982179 2.730428 3.153529 20 H 5.394771 4.234611 4.419657 3.106608 3.568003 21 O 4.504697 5.750147 6.762677 6.066128 5.329470 22 H 4.286788 4.757728 5.923942 4.180718 2.965602 23 O 4.056079 4.948005 6.120807 4.763944 3.697815 24 H 4.475813 4.849533 6.029481 4.119018 2.808563 11 12 13 14 15 11 C 0.000000 12 H 4.336663 0.000000 13 H 5.474788 2.501991 0.000000 14 H 4.696575 2.469024 1.756994 0.000000 15 C 2.815460 6.881327 8.071256 6.968926 0.000000 16 H 3.272916 6.253242 7.700402 6.351592 2.023093 17 H 2.125685 3.499790 4.131129 4.037997 4.861243 18 C 1.501682 5.693472 6.674214 6.040374 2.446359 19 H 4.258029 3.047884 1.761046 1.769909 6.742830 20 H 4.877524 2.226698 2.670353 3.699834 7.678548 21 O 3.997913 7.997738 9.178184 7.995615 1.184521 22 H 2.156387 5.943417 7.133263 6.669782 3.017731 23 O 2.430130 6.761109 7.776253 6.909692 1.324052 24 H 2.149134 6.020192 6.609764 6.109074 3.179629 16 17 18 19 20 16 H 0.000000 17 H 5.336792 0.000000 18 C 3.775027 2.812312 0.000000 19 H 6.652804 3.026228 5.320257 0.000000 20 H 7.592148 3.144564 5.850178 3.165309 0.000000 21 O 2.439104 6.032891 3.518803 7.826302 8.859664 22 H 4.324929 3.092196 1.083278 5.930222 5.903568 23 O 3.181125 4.155258 1.421760 6.358571 7.173876 24 H 4.625487 2.769787 1.080304 5.117853 5.902577 21 22 23 24 21 O 0.000000 22 H 3.998543 0.000000 23 O 2.191517 2.018649 0.000000 24 H 4.144512 1.754916 2.000172 0.000000 Stoichiometry C8H9N3O4 Framework group C1[X(C8H9N3O4)] Deg. of freedom 66 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 3.018980 -0.272465 -0.108161 2 6 0 3.568325 -0.186793 1.305822 3 8 0 3.173558 -1.554339 -0.647584 4 7 0 -2.317033 0.965032 -0.076424 5 6 0 -0.987188 0.663709 -0.136803 6 7 0 -0.145224 1.633212 -0.199425 7 6 0 1.192781 1.366347 -0.219619 8 8 0 2.040486 2.212061 -0.286386 9 7 0 1.580254 0.017035 -0.134603 10 6 0 0.669517 -0.978217 -0.083910 11 6 0 -0.647767 -0.716950 -0.097527 12 1 0 3.472235 0.475337 -0.738372 13 1 0 4.635020 -0.388554 1.301624 14 1 0 3.411877 0.805614 1.707717 15 6 0 -3.339944 0.070152 0.146330 16 1 0 -2.575369 1.928100 -0.091069 17 1 0 1.067070 -1.972200 -0.050422 18 6 0 -1.734734 -1.751633 -0.152121 19 1 0 3.083187 -0.917285 1.944694 20 1 0 4.056690 -1.660319 -0.974103 21 8 0 -4.454331 0.429627 0.325236 22 1 0 -1.819922 -2.200578 -1.134303 23 8 0 -3.012754 -1.212760 0.160422 24 1 0 -1.572267 -2.538681 0.569834 --------------------------------------------------------------------- Rotational constants (GHZ): 1.4632597 0.3606693 0.3049199 Standard basis: 6-31G(d) (6D, 7F) There are 243 symmetry adapted cartesian basis functions of A symmetry. There are 243 symmetry adapted basis functions of A symmetry. 243 basis functions, 456 primitive gaussians, 243 cartesian basis functions 55 alpha electrons 55 beta electrons nuclear repulsion energy 1025.2384069048 Hartrees. NAtoms= 24 NActive= 24 NUniq= 24 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. One-electron integrals computed using PRISM. NBasis= 243 RedAO= T EigKep= 8.45D-04 NBF= 243 NBsUse= 243 1.00D-06 EigRej= -1.00D+00 NBFU= 243 Lowest energy guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 0.000000 0.000000 Rot= 0.999984 -0.005579 0.001292 -0.000433 Ang= -0.66 deg. B after Tr= 0.000000 -0.000000 0.000000 Rot= 0.999930 0.011823 0.000406 0.000655 Ang= 1.36 deg. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -771.021958817 A.U. after 14 cycles NFock= 14 Conv=0.32D-08 -V/T= 2.0017 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 -0.000589010 0.000896259 -0.000743195 2 6 0.000838609 -0.000277667 -0.000275287 3 8 0.000848734 0.000696267 0.000173627 4 7 0.001529274 -0.001091361 -0.002595126 5 6 0.000672770 0.002123276 0.000532922 6 7 -0.001548317 0.000362386 -0.000448049 7 6 0.002900231 0.000963388 0.000330071 8 8 -0.002420506 -0.001068055 0.000717600 9 7 -0.000275512 -0.000322653 -0.000671676 10 6 0.000093759 0.000763925 0.000188901 11 6 -0.000197932 -0.003333198 0.000488080 12 1 0.000500506 -0.001473993 0.000752262 13 1 -0.000106431 -0.000201775 0.000093880 14 1 -0.000146614 0.000175754 0.000025464 15 6 -0.002705186 0.000904363 -0.000893574 16 1 0.000030338 0.000878130 0.000745943 17 1 -0.000118348 -0.000347665 -0.000155559 18 6 -0.001477799 0.002162142 -0.001032578 19 1 0.000157545 -0.000151637 -0.000260082 20 1 -0.000312854 0.000625439 0.000219084 21 8 0.002894364 -0.003256369 0.000194679 22 1 0.000581010 0.000458295 0.000025379 23 8 -0.001222187 0.001434149 0.003166507 24 1 0.000073554 -0.000919399 -0.000579271 ------------------------------------------------------------------- Cartesian Forces: Max 0.003333198 RMS 0.001225174 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.004287224 RMS 0.000693814 Search for a local minimum. Step number 20 out of a maximum of 134 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Update second derivatives using D2CorX and points 18 20 DE= -5.24D-04 DEPred=-1.70D-04 R= 3.08D+00 TightC=F SS= 1.41D+00 RLast= 8.64D-01 DXNew= 9.8721D-01 2.5926D+00 Trust test= 3.08D+00 RLast= 8.64D-01 DXMaxT set to 9.87D-01 ITU= 1 0 0 0 0 1 0 0 0 0 1 1 1 1 1 1 -1 1 1 0 Use linear search instead of GDIIS. Eigenvalues --- -0.00162 0.00265 0.00512 0.00921 0.01263 Eigenvalues --- 0.01608 0.01639 0.01798 0.01909 0.01930 Eigenvalues --- 0.02167 0.02538 0.02594 0.05202 0.05547 Eigenvalues --- 0.05623 0.05767 0.06975 0.07703 0.07748 Eigenvalues --- 0.08629 0.09468 0.12737 0.12912 0.15243 Eigenvalues --- 0.15985 0.16072 0.16314 0.16461 0.16867 Eigenvalues --- 0.18580 0.21087 0.22632 0.22915 0.23789 Eigenvalues --- 0.24198 0.24665 0.25026 0.26538 0.26849 Eigenvalues --- 0.28679 0.31893 0.33279 0.33389 0.33751 Eigenvalues --- 0.33803 0.33829 0.33969 0.34143 0.34736 Eigenvalues --- 0.38685 0.41186 0.42483 0.44351 0.45058 Eigenvalues --- 0.46605 0.48317 0.48971 0.50290 0.50622 Eigenvalues --- 0.54765 0.57201 0.59946 0.70935 0.88175 Eigenvalues --- 1.15294 RFO step: Lambda=-2.86903827D-03 EMin=-1.61754935D-03 Skip linear search -- no minimum in search direction. Iteration 1 RMS(Cart)= 0.07132937 RMS(Int)= 0.02769378 Iteration 2 RMS(Cart)= 0.02468496 RMS(Int)= 0.00334941 Iteration 3 RMS(Cart)= 0.00096793 RMS(Int)= 0.00324925 Iteration 4 RMS(Cart)= 0.00000236 RMS(Int)= 0.00324925 Iteration 5 RMS(Cart)= 0.00000001 RMS(Int)= 0.00324925 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87118 -0.00034 0.00000 -0.00832 -0.00832 2.86286 R2 2.64431 -0.00144 0.00000 -0.00140 -0.00140 2.64291 R3 2.77374 0.00078 0.00000 -0.00795 -0.00795 2.76579 R4 2.03689 -0.00043 0.00000 -0.00373 -0.00373 2.03316 R5 2.05152 0.00005 0.00000 -0.00122 -0.00122 2.05030 R6 2.04481 0.00014 0.00000 0.00183 0.00183 2.04664 R7 2.05027 -0.00025 0.00000 -0.00087 -0.00087 2.04940 R8 1.79053 -0.00062 0.00000 -0.00152 -0.00152 1.78900 R9 2.57927 -0.00082 0.00000 0.00209 0.00486 2.58413 R10 2.60260 0.00091 0.00000 0.01005 0.01218 2.61478 R11 1.88448 0.00057 0.00000 0.00141 0.00141 1.88589 R12 2.42943 -0.00082 0.00000 -0.00122 -0.00168 2.42775 R13 2.68778 0.00161 0.00000 0.00274 0.00231 2.69009 R14 2.57855 0.00075 0.00000 -0.00494 -0.00413 2.57441 R15 2.26633 -0.00266 0.00000 -0.00415 -0.00415 2.26218 R16 2.65774 -0.00012 0.00000 0.01551 0.01675 2.67449 R17 2.55116 0.00078 0.00000 -0.00700 -0.00657 2.54458 R18 2.53793 0.00031 0.00000 0.00341 0.00260 2.54053 R19 2.02401 0.00027 0.00000 0.00168 0.00168 2.02569 R20 2.83777 0.00062 0.00000 -0.01239 -0.01431 2.82346 R21 2.23842 -0.00429 0.00000 -0.00485 -0.00485 2.23357 R22 2.50210 -0.00095 0.00000 -0.00402 -0.00487 2.49723 R23 2.04710 -0.00039 0.00000 0.00037 0.00037 2.04747 R24 2.68674 -0.00026 0.00000 -0.00258 -0.00532 2.68142 R25 2.04148 -0.00010 0.00000 -0.00330 -0.00330 2.03818 A1 1.95031 -0.00035 0.00000 -0.01678 -0.01692 1.93339 A2 1.93911 0.00046 0.00000 0.01224 0.01227 1.95138 A3 1.93154 -0.00047 0.00000 -0.00148 -0.00175 1.92979 A4 1.85669 -0.00005 0.00000 0.01198 0.01209 1.86878 A5 1.94304 -0.00022 0.00000 -0.01389 -0.01408 1.92896 A6 1.83880 0.00072 0.00000 0.01027 0.01027 1.84907 A7 1.91897 0.00005 0.00000 -0.00566 -0.00566 1.91331 A8 1.92313 0.00008 0.00000 0.00391 0.00391 1.92705 A9 1.92662 -0.00032 0.00000 -0.00329 -0.00330 1.92333 A10 1.89014 0.00012 0.00000 0.00599 0.00599 1.89614 A11 1.89284 -0.00002 0.00000 -0.00015 -0.00017 1.89266 A12 1.91150 0.00009 0.00000 -0.00069 -0.00068 1.91081 A13 1.91587 -0.00064 0.00000 0.00600 0.00600 1.92187 A14 2.19859 -0.00023 0.00000 -0.01164 -0.02112 2.17748 A15 2.05439 0.00016 0.00000 0.00020 -0.00382 2.05057 A16 2.02359 -0.00000 0.00000 -0.01057 -0.01512 2.00846 A17 2.06437 -0.00038 0.00000 -0.00169 0.00301 2.06738 A18 2.03263 -0.00016 0.00000 -0.00740 -0.01273 2.01991 A19 2.18596 0.00054 0.00000 0.00960 0.00992 2.19589 A20 2.08913 -0.00018 0.00000 -0.00812 -0.00963 2.07950 A21 2.16038 0.00045 0.00000 0.00527 0.00492 2.16531 A22 2.04530 0.00011 0.00000 0.00203 0.00271 2.04801 A23 2.07736 -0.00055 0.00000 -0.00720 -0.00755 2.06981 A24 2.04920 -0.00049 0.00000 -0.00397 -0.00412 2.04508 A25 2.11200 0.00042 0.00000 0.00124 0.00109 2.11309 A26 2.12198 0.00007 0.00000 0.00279 0.00295 2.12493 A27 2.11518 0.00011 0.00000 -0.00375 -0.00558 2.10960 A28 2.02076 0.00008 0.00000 -0.00382 -0.00290 2.01786 A29 2.14709 -0.00019 0.00000 0.00751 0.00843 2.15552 A30 2.00776 -0.00064 0.00000 -0.00166 0.00028 2.00804 A31 2.08874 -0.00076 0.00000 -0.03122 -0.04109 2.04766 A32 2.18498 0.00140 0.00000 0.03097 0.03841 2.22340 A33 2.12468 -0.00031 0.00000 -0.00096 0.00316 2.12784 A34 2.03506 0.00122 0.00000 -0.00186 -0.01003 2.02502 A35 2.12342 -0.00091 0.00000 0.00271 0.00669 2.13011 A36 1.95566 -0.00055 0.00000 -0.00332 0.00018 1.95584 A37 1.96223 0.00108 0.00000 -0.00345 -0.02119 1.94103 A38 1.94854 -0.00031 0.00000 -0.00178 0.00277 1.95131 A39 1.86053 -0.00009 0.00000 0.01541 0.02149 1.88202 A40 1.89211 -0.00009 0.00000 0.00233 0.00119 1.89330 A41 1.83839 -0.00003 0.00000 -0.00861 -0.00347 1.83492 A42 2.19818 -0.00131 0.00000 -0.05061 -0.06728 2.13090 D1 1.08628 -0.00042 0.00000 -0.00806 -0.00799 1.07828 D2 -3.11482 -0.00019 0.00000 -0.00178 -0.00172 -3.11654 D3 -1.00132 -0.00023 0.00000 -0.00222 -0.00217 -1.00349 D4 -3.12617 -0.00041 0.00000 0.00416 0.00414 -3.12204 D5 -1.04409 -0.00018 0.00000 0.01045 0.01041 -1.03368 D6 1.06942 -0.00022 0.00000 0.01000 0.00996 1.07937 D7 -1.08978 0.00048 0.00000 0.02348 0.02347 -1.06631 D8 0.99231 0.00070 0.00000 0.02977 0.02974 1.02205 D9 3.10581 0.00067 0.00000 0.02932 0.02929 3.13510 D10 -1.41538 0.00055 0.00000 -0.15453 -0.15467 -1.57005 D11 2.74868 0.00022 0.00000 -0.16743 -0.16744 2.58124 D12 0.75425 -0.00049 0.00000 -0.17938 -0.17922 0.57502 D13 1.49347 -0.00022 0.00000 0.00435 0.00437 1.49784 D14 -1.65224 -0.00003 0.00000 0.02219 0.02215 -1.63010 D15 -2.66345 -0.00041 0.00000 -0.00135 -0.00129 -2.66474 D16 0.47402 -0.00022 0.00000 0.01649 0.01648 0.49050 D17 -0.59900 -0.00035 0.00000 -0.00666 -0.00664 -0.60564 D18 2.53848 -0.00015 0.00000 0.01117 0.01113 2.54961 D19 -3.00444 0.00035 0.00000 0.18046 0.17839 -2.82605 D20 0.11576 0.00068 0.00000 0.20530 0.20433 0.32010 D21 0.00832 -0.00037 0.00000 -0.03361 -0.03311 -0.02479 D22 3.12852 -0.00004 0.00000 -0.00877 -0.00716 3.12136 D23 2.99932 -0.00000 0.00000 -0.12669 -0.12230 2.87701 D24 -0.13367 -0.00010 0.00000 -0.11351 -0.10929 -0.24297 D25 -0.01544 0.00070 0.00000 0.08335 0.08391 0.06847 D26 3.13475 0.00060 0.00000 0.09653 0.09692 -3.05151 D27 3.10678 0.00036 0.00000 0.02000 0.02126 3.12803 D28 -0.01137 0.00000 0.00000 -0.00698 -0.00725 -0.01862 D29 -3.08008 -0.00062 0.00000 -0.03531 -0.03680 -3.11688 D30 0.12086 -0.00074 0.00000 -0.00294 -0.00625 0.11461 D31 0.03845 -0.00027 0.00000 -0.00870 -0.00880 0.02965 D32 -3.04380 -0.00039 0.00000 0.02367 0.02176 -3.02204 D33 3.13213 0.00034 0.00000 0.01489 0.01491 -3.13614 D34 -0.02798 0.00029 0.00000 0.02115 0.02151 -0.00647 D35 -3.10488 -0.00015 0.00000 -0.00273 -0.00301 -3.10789 D36 0.04086 -0.00035 0.00000 -0.02067 -0.02091 0.01995 D37 0.01911 -0.00019 0.00000 0.00335 0.00335 0.02246 D38 -3.11834 -0.00038 0.00000 -0.01458 -0.01455 -3.13288 D39 3.13258 -0.00011 0.00000 -0.01332 -0.01357 3.11901 D40 -0.02703 -0.00010 0.00000 -0.01653 -0.01664 -0.04367 D41 -0.01331 0.00010 0.00000 0.00525 0.00501 -0.00830 D42 3.11027 0.00010 0.00000 0.00203 0.00194 3.11220 D43 -0.02431 0.00021 0.00000 0.00935 0.00966 -0.01466 D44 3.05419 0.00026 0.00000 -0.02758 -0.02781 3.02638 D45 3.13663 0.00020 0.00000 0.01293 0.01311 -3.13344 D46 -0.06805 0.00024 0.00000 -0.02399 -0.02435 -0.09240 D47 1.78683 0.00008 0.00000 -0.24351 -0.24574 1.54109 D48 -0.30832 -0.00018 0.00000 -0.25863 -0.25859 -0.56691 D49 -2.37012 -0.00066 0.00000 -0.24416 -0.24205 -2.61218 D50 -1.28897 0.00003 0.00000 -0.20612 -0.20899 -1.49796 D51 2.89906 -0.00023 0.00000 -0.22124 -0.22184 2.67722 D52 0.83727 -0.00071 0.00000 -0.20677 -0.20531 0.63196 D53 -0.10655 -0.00064 0.00000 -0.20551 -0.20036 -0.30692 D54 3.04364 -0.00075 0.00000 -0.19233 -0.18731 2.85632 D55 0.31153 0.00082 0.00000 0.37739 0.37551 0.68704 D56 -1.83788 0.00089 0.00000 0.37309 0.37405 -1.46383 D57 2.43725 0.00105 0.00000 0.36758 0.36471 2.80196 Item Value Threshold Converged? Maximum Force 0.004287 0.000450 NO RMS Force 0.000694 0.000300 NO Maximum Displacement 0.446979 0.001800 NO RMS Displacement 0.088378 0.001200 NO Predicted change in Energy=-3.061887D-03 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.947351 -5.032797 2.164869 2 6 0 7.265989 -4.650381 3.595718 3 8 0 6.630439 -6.391918 2.073457 4 7 0 2.742308 -2.074349 0.296658 5 6 0 3.808708 -2.809336 0.735449 6 7 0 4.984448 -2.300992 0.636987 7 6 0 6.055354 -3.014347 1.084427 8 8 0 7.186294 -2.624338 1.040877 9 7 0 5.799291 -4.288024 1.645854 10 6 0 4.553147 -4.793100 1.717831 11 6 0 3.498335 -4.094479 1.263202 12 1 0 7.772287 -4.793460 1.516977 13 1 0 8.132165 -5.207254 3.937471 14 1 0 7.485881 -3.592094 3.663834 15 6 0 1.424492 -2.309591 0.646788 16 1 0 2.928184 -1.161877 -0.062209 17 1 0 4.475370 -5.777132 2.135812 18 6 0 2.083880 -4.561068 1.144955 19 1 0 6.428351 -4.888088 4.242241 20 1 0 7.413727 -6.898788 1.912882 21 8 0 0.576216 -1.507426 0.462448 22 1 0 1.902867 -5.078654 0.210473 23 8 0 1.176216 -3.473123 1.221985 24 1 0 1.808702 -5.215381 1.957015 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.514959 0.000000 3 O 1.398570 2.398781 0.000000 4 N 5.470376 6.163070 6.075852 0.000000 5 C 4.103425 4.850090 4.752612 1.367462 0.000000 6 N 3.694614 4.413519 4.637716 2.279119 1.284708 7 C 2.457062 3.232465 3.566074 3.532768 2.282812 8 O 2.668544 3.261659 3.945865 4.539313 3.396409 9 N 1.463593 2.466673 2.302177 4.008221 2.641548 10 C 2.447348 3.302475 2.645341 3.562370 2.335505 11 C 3.686347 4.465968 3.967973 2.363623 1.423533 12 H 1.075902 2.144289 2.041704 5.846660 4.500832 13 H 2.139238 1.084972 2.670797 7.219500 5.890266 14 H 2.147681 1.083034 3.331680 6.011897 4.765475 15 C 6.342112 6.949717 6.767766 1.383679 2.437641 16 H 6.008128 6.660829 6.754338 0.997968 2.031183 17 H 2.581776 3.344913 2.241912 4.482922 3.348621 18 C 4.991603 5.733102 4.988519 2.708673 2.492246 19 H 2.146107 1.084497 2.646879 6.088651 4.845754 20 H 1.939826 2.812311 0.946700 6.907209 5.577286 21 O 7.477823 8.027989 7.944005 2.245182 3.495498 22 H 5.410045 6.356601 5.248362 3.120567 3.009591 23 O 6.052075 6.641225 6.244430 2.294655 2.758142 24 H 5.146091 5.725954 4.964568 3.673485 3.358765 6 7 8 9 10 6 N 0.000000 7 C 1.362321 0.000000 8 O 2.261814 1.197092 0.000000 9 N 2.372779 1.415281 2.248916 0.000000 10 C 2.750427 2.412838 3.477824 1.346536 0.000000 11 C 2.411903 2.781545 3.976403 2.340573 1.344391 12 H 3.841722 2.510020 2.296769 2.040781 3.225400 13 H 5.408113 4.154738 3.994545 3.396880 4.231749 14 H 4.133512 3.005585 2.811799 2.720505 3.718907 15 C 3.559980 4.704582 5.783834 4.904202 4.135630 16 H 2.452484 3.811248 4.635417 4.575317 4.358305 17 H 3.819580 3.351826 4.299779 2.051894 1.071949 18 C 3.712045 4.262466 5.458606 3.758954 2.545448 19 H 4.666453 3.690776 3.993467 2.738069 3.146119 20 H 5.354347 4.197665 4.368413 3.081200 3.557370 21 O 4.482490 5.716521 6.728685 6.034293 5.309201 22 H 4.170548 4.718931 5.884542 4.227001 3.062295 23 O 4.027251 4.902589 6.072419 4.713444 3.659490 24 H 4.507938 4.862099 6.039148 4.108724 2.787025 11 12 13 14 15 11 C 0.000000 12 H 4.338161 0.000000 13 H 5.464647 2.481840 0.000000 14 H 4.681447 2.476753 1.761052 0.000000 15 C 2.804749 6.871778 8.013609 6.891140 0.000000 16 H 3.268324 6.256801 7.709989 6.368827 2.020152 17 H 2.132455 3.495744 4.116173 4.021494 4.852720 18 C 1.494112 5.705294 6.693090 6.038648 2.398357 19 H 4.253173 3.040096 1.760038 1.769893 6.679412 20 H 4.859683 2.172029 2.734300 3.742360 7.650794 21 O 3.984072 7.980820 9.102576 7.895453 1.181957 22 H 2.149967 6.019832 7.260249 6.730944 2.843752 23 O 2.404167 6.733384 7.665918 6.766731 1.321476 24 H 2.143048 5.994664 6.626346 6.146434 3.210597 16 17 18 19 20 16 H 0.000000 17 H 5.340942 0.000000 18 C 3.704672 2.860041 0.000000 19 H 6.683121 3.006921 5.345517 0.000000 20 H 7.545411 3.153054 5.870427 3.231067 0.000000 21 O 2.434424 6.019463 3.473269 7.743591 8.827349 22 H 4.057928 3.288248 1.083475 6.063949 6.048195 23 O 3.171814 4.126494 1.418948 6.221655 7.149759 24 H 4.664912 2.731053 1.078559 5.164353 5.852530 21 22 23 24 21 O 0.000000 22 H 3.818005 0.000000 23 O 2.191087 2.031972 0.000000 24 H 4.183502 1.754414 1.993934 0.000000 Stoichiometry C8H9N3O4 Framework group C1[X(C8H9N3O4)] Deg. of freedom 66 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 3.009098 -0.263198 -0.074632 2 6 0 3.527494 -0.212467 1.347969 3 8 0 3.208481 -1.531039 -0.630351 4 7 0 -2.326360 0.937830 -0.198846 5 6 0 -0.988188 0.656365 -0.193824 6 7 0 -0.156737 1.635037 -0.230742 7 6 0 1.179679 1.371429 -0.210194 8 8 0 2.029742 2.213910 -0.235652 9 7 0 1.573464 0.013830 -0.140330 10 6 0 0.671154 -0.985426 -0.118386 11 6 0 -0.647350 -0.725158 -0.152929 12 1 0 3.483597 0.491506 -0.676993 13 1 0 4.595633 -0.402759 1.353572 14 1 0 3.347517 0.763786 1.780984 15 6 0 -3.319537 0.055617 0.188284 16 1 0 -2.594887 1.898936 -0.209297 17 1 0 1.078090 -1.976802 -0.092858 18 6 0 -1.763908 -1.710791 -0.272079 19 1 0 3.040723 -0.970988 1.951154 20 1 0 4.051880 -1.569834 -1.058620 21 8 0 -4.421505 0.416574 0.417194 22 1 0 -1.978737 -1.959517 -1.304504 23 8 0 -2.956162 -1.208966 0.311114 24 1 0 -1.551474 -2.623264 0.262294 --------------------------------------------------------------------- Rotational constants (GHZ): 1.4584658 0.3624197 0.3079339 Standard basis: 6-31G(d) (6D, 7F) There are 243 symmetry adapted cartesian basis functions of A symmetry. There are 243 symmetry adapted basis functions of A symmetry. 243 basis functions, 456 primitive gaussians, 243 cartesian basis functions 55 alpha electrons 55 beta electrons nuclear repulsion energy 1027.0912743632 Hartrees. NAtoms= 24 NActive= 24 NUniq= 24 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. One-electron integrals computed using PRISM. NBasis= 243 RedAO= T EigKep= 8.46D-04 NBF= 243 NBsUse= 243 1.00D-06 EigRej= -1.00D+00 NBFU= 243 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 -0.000000 -0.000000 Rot= 0.999985 -0.005349 0.000282 -0.000870 Ang= -0.62 deg. ExpMin= 1.61D-01 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn= 5 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 5 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 5 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -771.023834506 A.U. after 13 cycles NFock= 13 Conv=0.86D-08 -V/T= 2.0016 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 0.003743418 -0.003961851 -0.000877524 2 6 0.000221480 0.002473826 0.001224024 3 8 -0.002311339 -0.001116922 -0.000168204 4 7 -0.001996717 0.000287528 -0.000367525 5 6 -0.000095378 0.001270020 -0.001887952 6 7 -0.001893962 0.000330702 0.000287902 7 6 0.002588502 -0.005314068 0.002161824 8 8 -0.000020913 0.000734870 0.000324496 9 7 0.001310574 0.006523883 -0.002458225 10 6 -0.003287398 -0.000707522 0.000889946 11 6 0.003490189 -0.000605831 -0.000468293 12 1 0.000553960 0.001171642 -0.000336453 13 1 0.000002485 0.000095317 0.000299928 14 1 0.000030258 -0.000449682 0.000239847 15 6 0.000554215 0.002503415 -0.001732435 16 1 0.000639675 0.000183605 0.000205660 17 1 -0.000978543 0.000120266 -0.000524364 18 6 -0.001626851 -0.001873785 0.002375179 19 1 -0.000022273 -0.000096247 0.000259266 20 1 -0.000074511 0.000743851 -0.000152746 21 8 0.000227637 0.000415565 -0.000612602 22 1 -0.000007245 0.000459451 -0.000900285 23 8 -0.000719362 -0.001832023 0.002720339 24 1 -0.000327902 -0.001356010 -0.000501804 ------------------------------------------------------------------- Cartesian Forces: Max 0.006523883 RMS 0.001725604 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.004028104 RMS 0.000940036 Search for a local minimum. Step number 21 out of a maximum of 134 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swapping is turned off. Update second derivatives using D2CorX and points 20 21 DE= -1.88D-03 DEPred=-3.06D-03 R= 6.13D-01 TightC=F SS= 1.41D+00 RLast= 1.02D+00 DXNew= 1.6603D+00 3.0502D+00 Trust test= 6.13D-01 RLast= 1.02D+00 DXMaxT set to 1.66D+00 ITU= 1 1 0 0 0 0 1 0 0 0 0 1 1 1 1 1 1 -1 1 1 ITU= 0 Eigenvalues --- 0.00112 0.00266 0.00521 0.01053 0.01272 Eigenvalues --- 0.01641 0.01699 0.01829 0.01959 0.02090 Eigenvalues --- 0.02176 0.02551 0.02603 0.05539 0.05590 Eigenvalues --- 0.05788 0.05995 0.07042 0.07705 0.07781 Eigenvalues --- 0.08641 0.09592 0.12645 0.12801 0.14934 Eigenvalues --- 0.15902 0.16051 0.16335 0.16465 0.16852 Eigenvalues --- 0.18792 0.21112 0.22258 0.22879 0.23974 Eigenvalues --- 0.24012 0.24693 0.25040 0.26642 0.27290 Eigenvalues --- 0.28671 0.32163 0.33379 0.33749 0.33802 Eigenvalues --- 0.33824 0.33952 0.34168 0.34270 0.35475 Eigenvalues --- 0.38799 0.40899 0.42986 0.44351 0.45119 Eigenvalues --- 0.46749 0.48111 0.48971 0.50266 0.51978 Eigenvalues --- 0.55404 0.58185 0.59923 0.71848 0.88467 Eigenvalues --- 1.17486 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 21 20 RFO step: Lambda=-9.18735406D-04. DidBck=F Rises=F RFO-DIIS coefs: 2.04277 -1.04277 Iteration 1 RMS(Cart)= 0.07983030 RMS(Int)= 0.03483031 Iteration 2 RMS(Cart)= 0.03879632 RMS(Int)= 0.00765121 Iteration 3 RMS(Cart)= 0.00183382 RMS(Int)= 0.00746788 Iteration 4 RMS(Cart)= 0.00001080 RMS(Int)= 0.00746788 Iteration 5 RMS(Cart)= 0.00000015 RMS(Int)= 0.00746788 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.86286 0.00247 -0.00868 0.00977 0.00109 2.86395 R2 2.64291 0.00092 -0.00146 0.00458 0.00312 2.64604 R3 2.76579 0.00243 -0.00829 0.01266 0.00437 2.77016 R4 2.03316 0.00089 -0.00389 0.00460 0.00072 2.03388 R5 2.05030 0.00005 -0.00127 0.00080 -0.00047 2.04983 R6 2.04664 -0.00042 0.00191 -0.00107 0.00083 2.04747 R7 2.04940 0.00019 -0.00091 0.00122 0.00031 2.04971 R8 1.78900 -0.00043 -0.00159 0.00087 -0.00072 1.78829 R9 2.58413 0.00079 0.00507 0.00433 0.01545 2.59958 R10 2.61478 -0.00031 0.01270 -0.00567 0.01224 2.62701 R11 1.88589 0.00021 0.00147 -0.00039 0.00108 1.88696 R12 2.42775 0.00043 -0.00175 -0.00234 -0.00528 2.42246 R13 2.69009 0.00088 0.00241 0.00379 0.00516 2.69525 R14 2.57441 0.00298 -0.00431 0.01109 0.00872 2.58313 R15 2.26218 0.00021 -0.00433 0.00202 -0.00230 2.25987 R16 2.67449 -0.00389 0.01747 -0.01617 0.00434 2.67883 R17 2.54458 0.00372 -0.00686 0.01207 0.00631 2.55090 R18 2.54053 -0.00142 0.00272 -0.00576 -0.00499 2.53554 R19 2.02569 -0.00024 0.00175 -0.00172 0.00003 2.02572 R20 2.82346 0.00253 -0.01492 0.00957 -0.00932 2.81414 R21 2.23357 0.00021 -0.00505 0.00497 -0.00008 2.23350 R22 2.49723 0.00403 -0.00508 0.01147 0.00431 2.50154 R23 2.04747 0.00056 0.00039 0.00271 0.00310 2.05057 R24 2.68142 0.00135 -0.00554 0.00715 -0.00527 2.67615 R25 2.03818 0.00053 -0.00344 0.00218 -0.00126 2.03692 A1 1.93339 0.00155 -0.01765 0.01614 -0.00164 1.93174 A2 1.95138 -0.00075 0.01279 -0.01830 -0.00549 1.94589 A3 1.92979 -0.00047 -0.00182 0.00192 -0.00019 1.92960 A4 1.86878 -0.00133 0.01260 -0.00720 0.00551 1.87429 A5 1.92896 0.00049 -0.01468 0.02082 0.00595 1.93492 A6 1.84907 0.00044 0.01071 -0.01467 -0.00399 1.84508 A7 1.91331 0.00033 -0.00591 0.00408 -0.00184 1.91146 A8 1.92705 0.00033 0.00408 0.00249 0.00658 1.93362 A9 1.92333 0.00010 -0.00344 0.00227 -0.00119 1.92214 A10 1.89614 -0.00032 0.00625 -0.00494 0.00131 1.89745 A11 1.89266 -0.00028 -0.00018 -0.00235 -0.00256 1.89011 A12 1.91081 -0.00018 -0.00071 -0.00174 -0.00245 1.90836 A13 1.92187 -0.00104 0.00625 -0.00479 0.00146 1.92333 A14 2.17748 0.00011 -0.02202 0.00262 -0.03723 2.14024 A15 2.05057 -0.00056 -0.00398 -0.00513 -0.01645 2.03412 A16 2.00846 0.00042 -0.01577 0.00767 -0.01751 1.99095 A17 2.06738 0.00090 0.00314 0.00718 0.02223 2.08961 A18 2.01991 0.00033 -0.01327 0.00094 -0.02578 1.99413 A19 2.19589 -0.00123 0.01035 -0.00797 0.00356 2.19945 A20 2.07950 0.00120 -0.01004 0.00722 -0.00658 2.07292 A21 2.16531 -0.00018 0.00513 -0.00369 0.00060 2.16591 A22 2.04801 -0.00076 0.00283 -0.00376 0.00073 2.04874 A23 2.06981 0.00093 -0.00787 0.00734 -0.00138 2.06843 A24 2.04508 0.00045 -0.00429 0.00051 -0.00412 2.04097 A25 2.11309 -0.00065 0.00114 -0.00117 -0.00037 2.11272 A26 2.12493 0.00020 0.00308 0.00090 0.00450 2.12943 A27 2.10960 0.00047 -0.00582 0.00052 -0.00966 2.09994 A28 2.01786 0.00082 -0.00303 0.00757 0.00672 2.02458 A29 2.15552 -0.00130 0.00879 -0.00813 0.00283 2.15835 A30 2.00804 0.00011 0.00029 0.00257 0.00733 2.01536 A31 2.04766 0.00049 -0.04285 0.00427 -0.06072 1.98693 A32 2.22340 -0.00059 0.04005 -0.00505 0.05232 2.27572 A33 2.12784 -0.00082 0.00330 -0.00581 0.00733 2.13517 A34 2.02502 0.00016 -0.01046 0.00221 -0.02748 1.99754 A35 2.13011 0.00065 0.00698 0.00363 0.01990 2.15001 A36 1.95584 -0.00026 0.00019 -0.00608 0.00011 1.95595 A37 1.94103 -0.00082 -0.02210 -0.00731 -0.07026 1.87077 A38 1.95131 0.00083 0.00289 0.01339 0.02839 1.97970 A39 1.88202 -0.00001 0.02241 -0.01300 0.02054 1.90256 A40 1.89330 -0.00029 0.00124 0.00295 0.00144 1.89475 A41 1.83492 0.00059 -0.00362 0.01035 0.02122 1.85614 A42 2.13090 -0.00027 -0.07016 0.00527 -0.10085 2.03005 D1 1.07828 0.00081 -0.00834 0.01447 0.00621 1.08449 D2 -3.11654 0.00083 -0.00179 0.01250 0.01077 -3.10577 D3 -1.00349 0.00088 -0.00227 0.01343 0.01122 -0.99228 D4 -3.12204 -0.00033 0.00432 0.00416 0.00845 -3.11359 D5 -1.03368 -0.00031 0.01086 0.00218 0.01301 -1.02067 D6 1.07937 -0.00025 0.01038 0.00311 0.01346 1.09283 D7 -1.06631 -0.00057 0.02447 -0.02455 -0.00010 -1.06641 D8 1.02205 -0.00055 0.03101 -0.02653 0.00446 1.02651 D9 3.13510 -0.00049 0.03054 -0.02560 0.00491 3.14001 D10 -1.57005 -0.00068 -0.16128 -0.04164 -0.20307 -1.77312 D11 2.58124 0.00016 -0.17460 -0.02428 -0.19887 2.38237 D12 0.57502 0.00013 -0.18689 -0.01358 -0.20032 0.37471 D13 1.49784 -0.00073 0.00456 -0.02309 -0.01851 1.47933 D14 -1.63010 -0.00069 0.02309 -0.04250 -0.01942 -1.64952 D15 -2.66474 -0.00015 -0.00135 -0.01896 -0.02026 -2.68500 D16 0.49050 -0.00011 0.01719 -0.03837 -0.02117 0.46933 D17 -0.60564 -0.00001 -0.00693 -0.00576 -0.01270 -0.61834 D18 2.54961 0.00003 0.01161 -0.02518 -0.01361 2.53599 D19 -2.82605 0.00030 0.18602 0.00680 0.18667 -2.63938 D20 0.32010 0.00009 0.21307 -0.02744 0.18102 0.50112 D21 -0.02479 0.00022 -0.03452 0.02640 -0.00609 -0.03088 D22 3.12136 0.00002 -0.00747 -0.00785 -0.01174 3.10962 D23 2.87701 0.00009 -0.12754 0.01085 -0.10499 2.77202 D24 -0.24297 0.00015 -0.11397 0.00909 -0.09486 -0.33783 D25 0.06847 0.00033 0.08750 -0.00612 0.08317 0.15164 D26 -3.05151 0.00039 0.10107 -0.00789 0.09330 -2.95821 D27 3.12803 -0.00004 0.02217 -0.02286 0.00091 3.12895 D28 -0.01862 0.00019 -0.00756 0.01521 0.00721 -0.01141 D29 -3.11688 0.00002 -0.03838 0.04539 0.00538 -3.11150 D30 0.11461 -0.00010 -0.00651 0.02619 0.01307 0.12768 D31 0.02965 -0.00021 -0.00917 0.00822 -0.00074 0.02892 D32 -3.02204 -0.00033 0.02269 -0.01098 0.00695 -3.01509 D33 -3.13614 0.00035 0.01555 -0.02229 -0.00667 3.14037 D34 -0.00647 -0.00007 0.02243 -0.03355 -0.01072 -0.01719 D35 -3.10789 0.00002 -0.00314 0.01152 0.00817 -3.09972 D36 0.01995 -0.00002 -0.02180 0.03106 0.00905 0.02900 D37 0.02246 -0.00039 0.00349 0.00083 0.00437 0.02683 D38 -3.13288 -0.00043 -0.01517 0.02037 0.00524 -3.12764 D39 3.11901 -0.00004 -0.01415 0.01229 -0.00204 3.11697 D40 -0.04367 -0.00009 -0.01735 0.01032 -0.00705 -0.05072 D41 -0.00830 0.00000 0.00522 -0.00801 -0.00293 -0.01123 D42 3.11220 -0.00005 0.00202 -0.00998 -0.00794 3.10427 D43 -0.01466 0.00006 0.01007 -0.01141 -0.00128 -0.01594 D44 3.02638 0.00028 -0.02900 0.01069 -0.01800 3.00838 D45 -3.13344 0.00009 0.01367 -0.00949 0.00409 -3.12935 D46 -0.09240 0.00030 -0.02539 0.01262 -0.01262 -0.10502 D47 1.54109 -0.00060 -0.25625 -0.03217 -0.29206 1.24903 D48 -0.56691 0.00017 -0.26965 -0.00615 -0.27072 -0.83764 D49 -2.61218 -0.00057 -0.25241 -0.02298 -0.26880 -2.88098 D50 -1.49796 -0.00080 -0.21793 -0.05461 -0.27886 -1.77682 D51 2.67722 -0.00003 -0.23133 -0.02859 -0.25752 2.41970 D52 0.63196 -0.00076 -0.21409 -0.04542 -0.25560 0.37636 D53 -0.30692 -0.00033 -0.20893 0.00962 -0.18411 -0.49102 D54 2.85632 -0.00025 -0.19532 0.00798 -0.17371 2.68261 D55 0.68704 -0.00026 0.39157 -0.01325 0.37003 1.05707 D56 -1.46383 0.00059 0.39005 0.00778 0.40031 -1.06352 D57 2.80196 0.00065 0.38031 0.00526 0.37799 -3.10323 Item Value Threshold Converged? Maximum Force 0.004028 0.000450 NO RMS Force 0.000940 0.000300 NO Maximum Displacement 0.545025 0.001800 NO RMS Displacement 0.111286 0.001200 NO Predicted change in Energy=-2.388500D-04 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.946991 -5.036111 2.202990 2 6 0 7.260262 -4.588246 3.616544 3 8 0 6.634350 -6.400687 2.174445 4 7 0 2.722377 -2.160037 0.232583 5 6 0 3.816225 -2.859733 0.686790 6 7 0 4.986122 -2.345251 0.587055 7 6 0 6.057617 -3.051181 1.058298 8 8 0 7.188072 -2.663716 1.012994 9 7 0 5.797645 -4.311728 1.652401 10 6 0 4.551031 -4.824154 1.726820 11 6 0 3.505792 -4.135777 1.243185 12 1 0 7.771080 -4.817872 1.546005 13 1 0 8.130761 -5.122702 3.981529 14 1 0 7.467344 -3.525156 3.646114 15 6 0 1.453536 -2.315410 0.778875 16 1 0 2.897498 -1.249582 -0.138204 17 1 0 4.469265 -5.799708 2.163530 18 6 0 2.082460 -4.537937 1.069830 19 1 0 6.425033 -4.809897 4.272100 20 1 0 7.376672 -6.899577 1.865270 21 8 0 0.611249 -1.494144 0.664871 22 1 0 1.852658 -4.790240 0.039776 23 8 0 1.285240 -3.435728 1.463633 24 1 0 1.790720 -5.363427 1.698564 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.515538 0.000000 3 O 1.400224 2.399241 0.000000 4 N 5.477378 6.159528 6.087485 0.000000 5 C 4.103314 4.840723 4.763749 1.375638 0.000000 6 N 3.700944 4.402333 4.656504 2.298802 1.281912 7 C 2.457896 3.217691 3.577373 3.549616 2.280024 8 O 2.665046 3.238440 3.952282 4.561268 3.393256 9 N 1.465905 2.464461 2.310056 4.012845 2.639454 10 C 2.451997 3.311591 2.650669 3.560090 2.341058 11 C 3.684247 4.464706 3.973026 2.353424 1.426266 12 H 1.076281 2.144946 2.047534 5.854790 4.495935 13 H 2.138225 1.084724 2.671712 7.216826 5.881458 14 H 2.153221 1.083475 3.335921 6.002537 4.746689 15 C 6.293518 6.851000 6.743733 1.390156 2.426328 16 H 6.018089 6.654210 6.770990 0.998538 2.029104 17 H 2.593022 3.371728 2.246973 4.475196 3.354203 18 C 5.019551 5.770434 5.040805 2.600940 2.443160 19 H 2.145886 1.084662 2.640944 6.086798 4.843910 20 H 1.941954 2.902199 0.946320 6.840422 5.512344 21 O 7.419769 7.905391 7.913958 2.255471 3.483846 22 H 5.540052 6.486620 5.478589 2.776969 2.828618 23 O 5.929865 6.454781 6.157046 2.282156 2.709453 24 H 5.191215 5.847686 4.976256 3.644008 3.375624 6 7 8 9 10 6 N 0.000000 7 C 1.366935 0.000000 8 O 2.265266 1.195872 0.000000 9 N 2.379194 1.417576 2.249016 0.000000 10 C 2.762848 2.420776 3.482963 1.349876 0.000000 11 C 2.414098 2.778910 3.972297 2.334739 1.341749 12 H 3.845703 2.508985 2.294425 2.040085 3.225127 13 H 5.396799 4.139371 3.968308 3.394988 4.241144 14 H 4.111749 2.984756 2.784491 2.716888 3.725046 15 C 3.537916 4.670867 5.749873 4.860001 4.097178 16 H 2.467558 3.829326 4.661981 4.581905 4.357758 17 H 3.832191 3.361368 4.306982 2.059109 1.071964 18 C 3.670449 4.244108 5.439045 3.767380 2.570486 19 H 4.660955 3.681928 3.976191 2.739454 3.160781 20 H 5.300043 4.147440 4.324866 3.039013 3.508674 21 O 4.457572 5.678211 6.689073 5.984371 5.266743 22 H 4.011992 4.662981 5.825453 4.288642 3.182528 23 O 3.956520 4.804972 5.970135 4.600522 3.558424 24 H 4.533810 4.895185 6.073702 4.142903 2.812637 11 12 13 14 15 11 C 0.000000 12 H 4.330084 0.000000 13 H 5.464694 2.480739 0.000000 14 H 4.673416 2.484719 1.762038 0.000000 15 C 2.782279 6.838286 7.919798 6.771294 0.000000 16 H 3.257051 6.270650 7.704563 6.354745 2.015453 17 H 2.131661 3.499617 4.143671 4.044764 4.811676 18 C 1.489180 5.715374 6.738091 6.054745 2.328052 19 H 4.260367 3.040312 1.758347 1.768850 6.568171 20 H 4.796800 2.142658 2.864347 3.816588 7.568248 21 O 3.961194 7.942716 8.983858 7.747184 1.181915 22 H 2.146943 6.107144 7.420412 6.791966 2.613493 23 O 2.338700 6.631985 7.486443 6.556647 1.323756 24 H 2.157769 6.007130 6.742847 6.276643 3.201551 16 17 18 19 20 16 H 0.000000 17 H 5.335923 0.000000 18 C 3.596792 2.912917 0.000000 19 H 6.676086 3.041517 5.402447 0.000000 20 H 7.483272 3.122769 5.851388 3.326441 0.000000 21 O 2.435502 5.972282 3.404869 7.603052 8.742460 22 H 3.695893 3.517952 1.085116 6.230535 6.188413 23 O 3.153489 4.026943 1.416158 6.016086 7.018910 24 H 4.639224 2.753387 1.077893 5.329760 5.795723 21 22 23 24 21 O 0.000000 22 H 3.577162 0.000000 23 O 2.205002 2.045491 0.000000 24 H 4.175048 1.756120 2.006670 0.000000 Stoichiometry C8H9N3O4 Framework group C1[X(C8H9N3O4)] Deg. of freedom 66 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 2.999165 -0.266756 -0.038670 2 6 0 3.469831 -0.196980 1.400239 3 8 0 3.223975 -1.542100 -0.571198 4 7 0 -2.345574 0.900840 -0.307282 5 6 0 -0.992757 0.653922 -0.271249 6 7 0 -0.167358 1.634745 -0.271938 7 6 0 1.172186 1.367345 -0.220640 8 8 0 2.023786 2.206916 -0.217700 9 7 0 1.563135 0.006689 -0.147854 10 6 0 0.662119 -0.998363 -0.162187 11 6 0 -0.650583 -0.730195 -0.234223 12 1 0 3.485565 0.487732 -0.632422 13 1 0 4.538940 -0.375799 1.440928 14 1 0 3.264015 0.778151 1.825300 15 6 0 -3.280261 0.037321 0.252387 16 1 0 -2.624417 1.859652 -0.305312 17 1 0 1.065331 -1.991317 -0.138359 18 6 0 -1.813402 -1.642796 -0.414965 19 1 0 2.974411 -0.958811 1.992408 20 1 0 3.994260 -1.535540 -1.120870 21 8 0 -4.367853 0.390507 0.551261 22 1 0 -2.185459 -1.632117 -1.434247 23 8 0 -2.837031 -1.193553 0.454443 24 1 0 -1.604869 -2.663005 -0.136501 --------------------------------------------------------------------- Rotational constants (GHZ): 1.4449935 0.3663877 0.3135734 Standard basis: 6-31G(d) (6D, 7F) There are 243 symmetry adapted cartesian basis functions of A symmetry. There are 243 symmetry adapted basis functions of A symmetry. 243 basis functions, 456 primitive gaussians, 243 cartesian basis functions 55 alpha electrons 55 beta electrons nuclear repulsion energy 1029.8101173601 Hartrees. NAtoms= 24 NActive= 24 NUniq= 24 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. One-electron integrals computed using PRISM. NBasis= 243 RedAO= T EigKep= 8.40D-04 NBF= 243 NBsUse= 243 1.00D-06 EigRej= -1.00D+00 NBFU= 243 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 -0.000000 0.000000 Rot= 0.999999 -0.001628 -0.000366 -0.000387 Ang= -0.20 deg. ExpMin= 1.61D-01 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn= 5 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 5 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 5 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -771.021845028 A.U. after 14 cycles NFock= 14 Conv=0.32D-08 -V/T= 2.0016 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 0.002095680 -0.003429701 -0.000736669 2 6 0.000332531 0.000932585 0.001761268 3 8 0.000076405 0.001071034 0.001254382 4 7 0.000910110 0.004916693 0.001437166 5 6 -0.001918570 -0.000526075 0.001853520 6 7 -0.000572352 0.000879897 -0.001132845 7 6 -0.001126558 -0.007510168 0.003247323 8 8 0.000806257 0.001739079 -0.000355429 9 7 0.000156916 0.007389833 -0.002954811 10 6 -0.001505967 -0.000934906 -0.000258228 11 6 0.005420083 -0.003108794 -0.007938453 12 1 0.000652034 0.000165620 0.000108411 13 1 0.000026726 0.000116365 0.000221680 14 1 -0.000124649 -0.000946472 -0.000602518 15 6 0.000791415 0.006055371 0.000612334 16 1 0.000409258 -0.000067844 -0.001184390 17 1 -0.000286436 0.000328854 -0.000725865 18 6 0.003002188 -0.004524263 0.010246498 19 1 -0.000117976 -0.000103453 0.000074067 20 1 -0.000430512 0.000530161 -0.000688393 21 8 0.001758796 -0.001352320 -0.000184908 22 1 0.000218141 0.000539980 0.000460945 23 8 -0.010529633 -0.001993988 -0.005345272 24 1 -0.000043886 -0.000167487 0.000830186 ------------------------------------------------------------------- Cartesian Forces: Max 0.010529633 RMS 0.002953009 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.005623310 RMS 0.001490518 Search for a local minimum. Step number 22 out of a maximum of 134 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Update second derivatives using D2CorX and points 22 21 DE= 1.99D-03 DEPred=-2.39D-04 R=-8.33D+00 Trust test=-8.33D+00 RLast= 1.10D+00 DXMaxT set to 8.30D-01 ITU= -1 1 1 0 0 0 0 1 0 0 0 0 1 1 1 1 1 1 -1 1 ITU= 1 0 Use linear search instead of GDIIS. Eigenvalues --- 0.00266 0.00496 0.00580 0.01125 0.01292 Eigenvalues --- 0.01641 0.01831 0.01871 0.02030 0.02189 Eigenvalues --- 0.02374 0.02573 0.02621 0.05390 0.05575 Eigenvalues --- 0.05803 0.06627 0.06960 0.07699 0.07785 Eigenvalues --- 0.08625 0.09568 0.12161 0.12403 0.14050 Eigenvalues --- 0.15725 0.16051 0.16329 0.16441 0.16805 Eigenvalues --- 0.18470 0.19749 0.21818 0.22675 0.23694 Eigenvalues --- 0.23972 0.24528 0.24975 0.26625 0.26893 Eigenvalues --- 0.28591 0.31898 0.33001 0.33749 0.33797 Eigenvalues --- 0.33819 0.33927 0.33948 0.34234 0.35027 Eigenvalues --- 0.38739 0.40120 0.42747 0.44260 0.45175 Eigenvalues --- 0.46560 0.47642 0.48965 0.50073 0.51637 Eigenvalues --- 0.54688 0.56805 0.59768 0.71648 0.88491 Eigenvalues --- 1.16554 RFO step: Lambda=-6.22901870D-04 EMin= 2.65935262D-03 Quartic linear search produced a step of -0.68898. Iteration 1 RMS(Cart)= 0.06373818 RMS(Int)= 0.00741323 Iteration 2 RMS(Cart)= 0.00696719 RMS(Int)= 0.00078614 Iteration 3 RMS(Cart)= 0.00008184 RMS(Int)= 0.00078299 Iteration 4 RMS(Cart)= 0.00000004 RMS(Int)= 0.00078299 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.86395 0.00138 -0.00075 0.00205 0.00130 2.86525 R2 2.64604 -0.00149 -0.00215 -0.00086 -0.00301 2.64303 R3 2.77016 0.00331 -0.00301 0.01161 0.00860 2.77876 R4 2.03388 0.00047 -0.00049 0.00196 0.00146 2.03534 R5 2.04983 0.00004 0.00032 0.00093 0.00125 2.05108 R6 2.04747 -0.00097 -0.00057 -0.00037 -0.00094 2.04653 R7 2.04971 0.00016 -0.00021 0.00078 0.00056 2.05028 R8 1.78829 -0.00039 0.00050 0.00098 0.00148 1.78976 R9 2.59958 0.00161 -0.01065 0.00382 -0.00746 2.59212 R10 2.62701 0.00156 -0.00843 -0.00307 -0.01210 2.61492 R11 1.88696 0.00045 -0.00074 0.00012 -0.00063 1.88634 R12 2.42246 -0.00002 0.00364 -0.00337 0.00039 2.42285 R13 2.69525 0.00101 -0.00356 0.00628 0.00292 2.69817 R14 2.58313 0.00150 -0.00601 0.00608 -0.00017 2.58296 R15 2.25987 0.00134 0.00159 0.00042 0.00201 2.26188 R16 2.67883 -0.00504 -0.00299 -0.00935 -0.01268 2.66615 R17 2.55090 0.00196 -0.00435 0.00557 0.00111 2.55200 R18 2.53554 -0.00062 0.00344 -0.00314 0.00053 2.53607 R19 2.02572 -0.00057 -0.00002 -0.00069 -0.00070 2.02501 R20 2.81414 0.00255 0.00642 0.00568 0.01255 2.82669 R21 2.23350 -0.00218 0.00005 0.00204 0.00209 2.23559 R22 2.50154 0.00562 -0.00297 0.00593 0.00311 2.50464 R23 2.05057 -0.00061 -0.00214 0.00006 -0.00208 2.04849 R24 2.67615 0.00543 0.00363 0.00948 0.01384 2.68999 R25 2.03692 0.00062 0.00087 0.00110 0.00197 2.03889 A1 1.93174 0.00002 0.00113 0.00722 0.00831 1.94005 A2 1.94589 0.00004 0.00378 -0.01091 -0.00712 1.93877 A3 1.92960 -0.00020 0.00013 0.00163 0.00172 1.93132 A4 1.87429 -0.00040 -0.00380 -0.00169 -0.00546 1.86883 A5 1.93492 0.00029 -0.00410 0.00936 0.00522 1.94013 A6 1.84508 0.00027 0.00275 -0.00630 -0.00354 1.84155 A7 1.91146 0.00050 0.00127 0.00375 0.00502 1.91648 A8 1.93362 -0.00089 -0.00453 -0.00057 -0.00510 1.92853 A9 1.92214 0.00005 0.00082 0.00166 0.00247 1.92461 A10 1.89745 0.00011 -0.00091 -0.00258 -0.00348 1.89397 A11 1.89011 -0.00013 0.00176 -0.00144 0.00031 1.89042 A12 1.90836 0.00038 0.00169 -0.00090 0.00079 1.90915 A13 1.92333 -0.00052 -0.00101 -0.00157 -0.00258 1.92076 A14 2.14024 0.00064 0.02565 0.00043 0.02783 2.16807 A15 2.03412 -0.00008 0.01133 -0.00348 0.00821 2.04233 A16 1.99095 0.00049 0.01207 0.00545 0.01829 2.00924 A17 2.08961 -0.00119 -0.01532 0.00044 -0.01617 2.07344 A18 1.99413 0.00250 0.01776 0.00351 0.02259 2.01672 A19 2.19945 -0.00131 -0.00245 -0.00396 -0.00648 2.19297 A20 2.07292 0.00050 0.00454 0.00297 0.00788 2.08080 A21 2.16591 -0.00185 -0.00042 -0.00401 -0.00432 2.16159 A22 2.04874 0.00060 -0.00050 -0.00135 -0.00207 2.04667 A23 2.06843 0.00125 0.00095 0.00528 0.00634 2.07477 A24 2.04097 0.00083 0.00284 -0.00025 0.00260 2.04356 A25 2.11272 -0.00074 0.00026 -0.00092 -0.00065 2.11207 A26 2.12943 -0.00009 -0.00310 0.00130 -0.00188 2.12755 A27 2.09994 0.00038 0.00666 -0.00037 0.00681 2.10675 A28 2.02458 0.00022 -0.00463 0.00330 -0.00160 2.02298 A29 2.15835 -0.00060 -0.00195 -0.00291 -0.00512 2.15323 A30 2.01536 -0.00008 -0.00505 0.00077 -0.00493 2.01044 A31 1.98693 -0.00002 0.04184 -0.00056 0.04344 2.03037 A32 2.27572 0.00024 -0.03605 0.00291 -0.03535 2.24037 A33 2.13517 -0.00049 -0.00505 -0.00498 -0.01097 2.12420 A34 1.99754 0.00012 0.01894 0.00371 0.02447 2.02201 A35 2.15001 0.00038 -0.01371 0.00139 -0.01322 2.13679 A36 1.95595 -0.00294 -0.00008 -0.01520 -0.01557 1.94038 A37 1.87077 0.00222 0.04841 0.00240 0.05511 1.92588 A38 1.97970 0.00176 -0.01956 0.01438 -0.00677 1.97293 A39 1.90256 -0.00239 -0.01415 -0.01845 -0.03326 1.86931 A40 1.89475 0.00057 -0.00099 0.00480 0.00419 1.89894 A41 1.85614 0.00081 -0.01462 0.01197 -0.00464 1.85150 A42 2.03005 0.00045 0.06948 -0.00070 0.07265 2.10270 D1 1.08449 0.00032 -0.00428 0.01297 0.00871 1.09320 D2 -3.10577 0.00022 -0.00742 0.01182 0.00442 -3.10136 D3 -0.99228 0.00014 -0.00773 0.01141 0.00370 -0.98858 D4 -3.11359 -0.00015 -0.00582 0.00848 0.00266 -3.11093 D5 -1.02067 -0.00026 -0.00896 0.00733 -0.00164 -1.02231 D6 1.09283 -0.00033 -0.00927 0.00693 -0.00236 1.09048 D7 -1.06641 0.00007 0.00007 -0.00513 -0.00507 -1.07148 D8 1.02651 -0.00003 -0.00307 -0.00628 -0.00936 1.01714 D9 3.14001 -0.00010 -0.00338 -0.00669 -0.01008 3.12993 D10 -1.77312 -0.00052 0.13991 -0.06016 0.07973 -1.69339 D11 2.38237 -0.00032 0.13702 -0.05004 0.08697 2.46934 D12 0.37471 -0.00056 0.13801 -0.04648 0.09157 0.46628 D13 1.47933 -0.00008 0.01275 -0.02109 -0.00830 1.47103 D14 -1.64952 -0.00005 0.01338 -0.03261 -0.01928 -1.66880 D15 -2.68500 -0.00029 0.01396 -0.01991 -0.00589 -2.69090 D16 0.46933 -0.00027 0.01459 -0.03143 -0.01687 0.45246 D17 -0.61834 -0.00002 0.00875 -0.01311 -0.00431 -0.62265 D18 2.53599 0.00000 0.00938 -0.02463 -0.01529 2.52070 D19 -2.63938 -0.00170 -0.12861 0.00969 -0.11831 -2.75769 D20 0.50112 -0.00145 -0.12472 -0.00369 -0.12815 0.37297 D21 -0.03088 0.00062 0.00420 0.01625 0.02008 -0.01080 D22 3.10962 0.00086 0.00809 0.00287 0.01024 3.11985 D23 2.77202 0.00233 0.07233 0.01193 0.08333 2.85536 D24 -0.33783 0.00157 0.06536 0.00769 0.07217 -0.26566 D25 0.15164 0.00022 -0.05730 0.00794 -0.04985 0.10179 D26 -2.95821 -0.00053 -0.06428 0.00371 -0.06101 -3.01922 D27 3.12895 -0.00005 -0.00063 -0.01048 -0.01143 3.11752 D28 -0.01141 -0.00033 -0.00497 0.00460 -0.00052 -0.01193 D29 -3.11150 0.00004 -0.00371 0.02539 0.02222 -3.08927 D30 0.12768 -0.00127 -0.00901 -0.00406 -0.01299 0.11469 D31 0.02892 0.00030 0.00051 0.01103 0.01161 0.04053 D32 -3.01509 -0.00101 -0.00479 -0.01842 -0.02361 -3.03870 D33 3.14037 0.00038 0.00459 -0.01401 -0.00943 3.13094 D34 -0.01719 0.00007 0.00739 -0.02004 -0.01264 -0.02983 D35 -3.09972 0.00018 -0.00563 0.00973 0.00406 -3.09566 D36 0.02900 0.00015 -0.00623 0.02136 0.01515 0.04415 D37 0.02683 -0.00013 -0.00301 0.00397 0.00092 0.02775 D38 -3.12764 -0.00016 -0.00361 0.01559 0.01201 -3.11563 D39 3.11697 -0.00017 0.00141 0.00628 0.00764 3.12461 D40 -0.05072 0.00004 0.00486 0.00735 0.01204 -0.03868 D41 -0.01123 -0.00015 0.00202 -0.00582 -0.00390 -0.01513 D42 3.10427 0.00006 0.00547 -0.00475 0.00050 3.10476 D43 -0.01594 -0.00008 0.00088 -0.00982 -0.00892 -0.02486 D44 3.00838 0.00147 0.01240 0.02530 0.03704 3.04542 D45 -3.12935 -0.00033 -0.00282 -0.01107 -0.01374 3.14010 D46 -0.10502 0.00123 0.00869 0.02405 0.03222 -0.07280 D47 1.24903 0.00115 0.20122 -0.02088 0.18066 1.42969 D48 -0.83764 0.00438 0.18652 0.00912 0.19585 -0.64179 D49 -2.88098 0.00096 0.18520 -0.01532 0.16912 -2.71186 D50 -1.77682 -0.00038 0.19213 -0.05561 0.13692 -1.63991 D51 2.41970 0.00285 0.17743 -0.02561 0.15210 2.57180 D52 0.37636 -0.00057 0.17610 -0.05006 0.12538 0.50173 D53 -0.49102 0.00291 0.12685 -0.00150 0.12393 -0.36710 D54 2.68261 0.00217 0.11968 -0.00564 0.11262 2.79523 D55 1.05707 -0.00547 -0.25494 -0.00625 -0.26104 0.79603 D56 -1.06352 -0.00187 -0.27581 0.02120 -0.25481 -1.31833 D57 -3.10323 -0.00177 -0.26043 0.01846 -0.24110 2.93885 Item Value Threshold Converged? Maximum Force 0.005623 0.000450 NO RMS Force 0.001491 0.000300 NO Maximum Displacement 0.334139 0.001800 NO RMS Displacement 0.067322 0.001200 NO Predicted change in Energy=-1.341774D-03 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.950806 -5.043875 2.185062 2 6 0 7.270907 -4.607539 3.601424 3 8 0 6.621300 -6.402308 2.137633 4 7 0 2.738133 -2.092210 0.289904 5 6 0 3.812582 -2.830861 0.715921 6 7 0 4.985607 -2.320266 0.631475 7 6 0 6.059374 -3.037454 1.079732 8 8 0 7.189539 -2.646241 1.031410 9 7 0 5.799729 -4.301436 1.650231 10 6 0 4.552143 -4.815034 1.709349 11 6 0 3.503348 -4.123784 1.236854 12 1 0 7.770825 -4.819377 1.523837 13 1 0 8.141141 -5.145313 3.964127 14 1 0 7.484935 -3.546364 3.632081 15 6 0 1.434621 -2.305147 0.702570 16 1 0 2.927471 -1.177004 -0.060761 17 1 0 4.469465 -5.796831 2.130710 18 6 0 2.079897 -4.566230 1.112300 19 1 0 6.436505 -4.825798 4.259659 20 1 0 7.379905 -6.911973 1.889114 21 8 0 0.591636 -1.490182 0.545268 22 1 0 1.879363 -4.967059 0.125278 23 8 0 1.200348 -3.463338 1.302901 24 1 0 1.800419 -5.302374 1.849921 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.516224 0.000000 3 O 1.398629 2.405384 0.000000 4 N 5.481839 6.151348 6.088517 0.000000 5 C 4.111478 4.841769 4.760819 1.371691 0.000000 6 N 3.700498 4.390308 4.648341 2.284692 1.282118 7 C 2.458074 3.208100 3.571717 3.542309 2.285414 8 O 2.671433 3.233927 3.956598 4.546625 3.396684 9 N 1.470455 2.462766 2.307857 4.013046 2.642779 10 C 2.456065 3.318837 2.642779 3.566402 2.338972 11 C 3.691968 4.474340 3.965439 2.368451 1.427812 12 H 1.077056 2.147361 2.050323 5.855597 4.502734 13 H 2.142956 1.085385 2.688128 7.212062 5.885911 14 H 2.149814 1.082978 3.337013 5.984716 4.743639 15 C 6.334564 6.911338 6.763710 1.383755 2.435416 16 H 6.015284 6.636687 6.766175 0.998207 2.030247 17 H 2.593636 3.380162 2.235407 4.484450 3.351134 18 C 5.010461 5.757086 5.004682 2.688937 2.484113 19 H 2.148491 1.084960 2.650005 6.075311 4.839713 20 H 1.939459 2.873030 0.947101 6.879944 5.545958 21 O 7.467041 7.979391 7.938607 2.243903 3.492998 22 H 5.474316 6.425076 5.347475 3.004886 2.941009 23 O 6.028604 6.591214 6.222624 2.295853 2.751062 24 H 5.167748 5.785914 4.953133 3.690273 3.382770 6 7 8 9 10 6 N 0.000000 7 C 1.366846 0.000000 8 O 2.263520 1.196936 0.000000 9 N 2.371854 1.410863 2.248151 0.000000 10 C 2.752012 2.414115 3.481253 1.350462 0.000000 11 C 2.411691 2.781739 3.976600 2.340044 1.342031 12 H 3.846986 2.510287 2.302802 2.041925 3.224026 13 H 5.389327 4.134798 3.968845 3.398301 4.251355 14 H 4.093114 2.967439 2.767845 2.708834 3.729301 15 C 3.551730 4.697538 5.774388 4.892585 4.126993 16 H 2.454010 3.817174 4.638612 4.575963 4.359829 17 H 3.821075 3.353584 4.305053 2.058317 1.071591 18 C 3.703876 4.263151 5.459061 3.767842 2.555459 19 H 4.641822 3.667743 3.967256 2.736704 3.170964 20 H 5.328986 4.172624 4.355268 3.060870 3.525011 21 O 4.472522 5.707527 6.716036 6.020659 5.300504 22 H 4.112238 4.701792 5.865598 4.258850 3.110650 23 O 4.010688 4.882757 6.050766 4.688001 3.636868 24 H 4.530232 4.884849 6.063631 4.127497 2.798079 11 12 13 14 15 11 C 0.000000 12 H 4.333309 0.000000 13 H 5.476373 2.489655 0.000000 14 H 4.682260 2.479312 1.759972 0.000000 15 C 2.805803 6.866098 7.980081 6.835857 0.000000 16 H 3.270926 6.263858 7.689574 6.326249 2.020887 17 H 2.128719 3.496096 4.155370 4.051145 4.841665 18 C 1.495822 5.711402 6.723610 6.050112 2.386787 19 H 4.270080 3.043874 1.759322 1.769184 6.635164 20 H 4.819454 2.159908 2.829531 3.791608 7.614271 21 O 3.986505 7.973826 9.057793 7.827763 1.183021 22 H 2.141037 6.056988 7.346999 6.763022 2.759861 23 O 2.396739 6.712587 7.621402 6.702836 1.325401 24 H 2.159836 5.998780 6.685753 6.210747 3.230107 16 17 18 19 20 16 H 0.000000 17 H 5.340702 0.000000 18 C 3.685283 2.874296 0.000000 19 H 6.655302 3.056890 5.380825 0.000000 20 H 7.517716 3.126111 5.847738 3.295696 0.000000 21 O 2.433409 6.008196 3.463888 7.686711 8.791037 22 H 3.936707 3.379187 1.084016 6.154722 6.095061 23 O 3.173303 4.100925 1.423483 6.165716 7.100961 24 H 4.683976 2.728944 1.078935 5.246642 5.807151 21 22 23 24 21 O 0.000000 22 H 3.731395 0.000000 23 O 2.199520 2.027075 0.000000 24 H 4.206672 1.758710 2.010315 0.000000 Stoichiometry C8H9N3O4 Framework group C1[X(C8H9N3O4)] Deg. of freedom 66 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 3.013190 -0.270926 -0.059031 2 6 0 3.503646 -0.172505 1.372298 3 8 0 3.213965 -1.555614 -0.574229 4 7 0 -2.332394 0.931925 -0.227687 5 6 0 -0.989183 0.653896 -0.232156 6 7 0 -0.156697 1.628818 -0.250026 7 6 0 1.183682 1.362226 -0.225913 8 8 0 2.031900 2.206371 -0.250413 9 7 0 1.572035 0.008295 -0.144741 10 6 0 0.667673 -0.994638 -0.142970 11 6 0 -0.647088 -0.731999 -0.201897 12 1 0 3.488056 0.473783 -0.675439 13 1 0 4.573591 -0.351486 1.407570 14 1 0 3.306509 0.813818 1.773725 15 6 0 -3.306823 0.056515 0.218324 16 1 0 -2.596177 1.894647 -0.229155 17 1 0 1.069665 -1.987527 -0.113277 18 6 0 -1.782361 -1.698433 -0.322902 19 1 0 3.012864 -0.917382 1.989898 20 1 0 4.015164 -1.581651 -1.078612 21 8 0 -4.402495 0.422942 0.472826 22 1 0 -2.067989 -1.839242 -1.359088 23 8 0 -2.927572 -1.205118 0.363711 24 1 0 -1.565092 -2.661689 0.111877 --------------------------------------------------------------------- Rotational constants (GHZ): 1.4490674 0.3633923 0.3093277 Standard basis: 6-31G(d) (6D, 7F) There are 243 symmetry adapted cartesian basis functions of A symmetry. There are 243 symmetry adapted basis functions of A symmetry. 243 basis functions, 456 primitive gaussians, 243 cartesian basis functions 55 alpha electrons 55 beta electrons nuclear repulsion energy 1027.0976663159 Hartrees. NAtoms= 24 NActive= 24 NUniq= 24 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. One-electron integrals computed using PRISM. NBasis= 243 RedAO= T EigKep= 8.44D-04 NBF= 243 NBsUse= 243 1.00D-06 EigRej= -1.00D+00 NBFU= 243 Lowest energy guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 0.000000 0.000000 Rot= 0.999994 0.003417 0.000039 0.000302 Ang= 0.39 deg. B after Tr= 0.000000 0.000000 -0.000000 Rot= 0.999986 0.005160 0.000426 0.000693 Ang= 0.60 deg. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -771.024261296 A.U. after 12 cycles NFock= 12 Conv=0.98D-08 -V/T= 2.0017 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 -0.000516600 -0.000204232 -0.001430726 2 6 0.000967124 0.000566372 0.001688573 3 8 0.001098124 0.000222003 0.000711027 4 7 0.001679085 -0.001710598 0.000487248 5 6 -0.002256136 -0.000169055 0.001337589 6 7 0.000785831 0.000458322 -0.000838352 7 6 -0.000728936 -0.003131292 0.001416739 8 8 0.000328719 0.000404007 0.000230571 9 7 0.001190071 0.002194155 -0.001950820 10 6 -0.001110558 -0.000056533 0.000557302 11 6 0.000228053 0.001380247 -0.000349217 12 1 0.000575922 -0.000580964 0.000444732 13 1 -0.000267933 -0.000062169 -0.000119353 14 1 -0.000136610 -0.000595929 -0.000317039 15 6 -0.001776791 0.002893577 -0.001532239 16 1 -0.000102978 0.000137548 -0.000017788 17 1 -0.000212059 0.000236099 -0.000261211 18 6 -0.000237583 0.001893527 -0.002361122 19 1 0.000016505 -0.000153228 -0.000293229 20 1 -0.000842812 0.000712100 -0.000224172 21 8 0.001106648 -0.002010146 0.000789077 22 1 -0.000099863 -0.001662338 0.000153557 23 8 0.000308129 -0.001517785 0.001843408 24 1 0.000004644 0.000756312 0.000035445 ------------------------------------------------------------------- Cartesian Forces: Max 0.003131292 RMS 0.001118853 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.002553146 RMS 0.000569015 Search for a local minimum. Step number 23 out of a maximum of 134 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Update second derivatives using D2CorX and points 21 23 DE= -4.27D-04 DEPred=-1.34D-03 R= 3.18D-01 Trust test= 3.18D-01 RLast= 4.48D-01 DXMaxT set to 8.30D-01 ITU= 0 -1 1 1 0 0 0 0 1 0 0 0 0 1 1 1 1 1 1 -1 ITU= 1 1 0 Use linear search instead of GDIIS. Eigenvalues --- 0.00266 0.00303 0.00529 0.01127 0.01337 Eigenvalues --- 0.01639 0.01796 0.01845 0.01976 0.02153 Eigenvalues --- 0.02221 0.02563 0.02634 0.05545 0.05769 Eigenvalues --- 0.05916 0.06734 0.07287 0.07741 0.07752 Eigenvalues --- 0.08629 0.09586 0.12519 0.12750 0.14723 Eigenvalues --- 0.15857 0.16072 0.16372 0.16459 0.16806 Eigenvalues --- 0.18814 0.20819 0.22041 0.22874 0.23889 Eigenvalues --- 0.24066 0.24640 0.25045 0.26666 0.27198 Eigenvalues --- 0.28605 0.31894 0.33582 0.33703 0.33779 Eigenvalues --- 0.33836 0.33944 0.34134 0.34608 0.34796 Eigenvalues --- 0.38743 0.40757 0.43243 0.44309 0.45199 Eigenvalues --- 0.46721 0.47906 0.48988 0.50143 0.51638 Eigenvalues --- 0.53682 0.56922 0.59827 0.71210 0.88539 Eigenvalues --- 1.17208 RFO step: Lambda=-1.70873521D-04 EMin= 2.66348405D-03 Quartic linear search produced a step of -0.12801. Iteration 1 RMS(Cart)= 0.00756289 RMS(Int)= 0.00005802 Iteration 2 RMS(Cart)= 0.00004721 RMS(Int)= 0.00003591 Iteration 3 RMS(Cart)= 0.00000000 RMS(Int)= 0.00003591 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.86525 0.00095 -0.00031 0.00476 0.00446 2.86970 R2 2.64303 -0.00098 -0.00001 0.00057 0.00056 2.64358 R3 2.77876 0.00092 -0.00166 0.00240 0.00074 2.77950 R4 2.03534 0.00004 -0.00028 0.00078 0.00050 2.03584 R5 2.05108 -0.00022 -0.00010 -0.00066 -0.00076 2.05033 R6 2.04653 -0.00062 0.00001 -0.00203 -0.00201 2.04452 R7 2.05028 -0.00016 -0.00011 -0.00008 -0.00019 2.05009 R8 1.78976 -0.00100 -0.00010 -0.00142 -0.00152 1.78824 R9 2.59212 -0.00106 -0.00102 -0.00001 -0.00106 2.59106 R10 2.61492 0.00083 -0.00002 0.00251 0.00247 2.61738 R11 1.88634 0.00011 -0.00006 0.00024 0.00018 1.88652 R12 2.42285 0.00116 0.00063 0.00128 0.00191 2.42477 R13 2.69817 -0.00177 -0.00104 -0.00371 -0.00475 2.69343 R14 2.58296 0.00087 -0.00109 0.00272 0.00162 2.58459 R15 2.26188 0.00043 0.00004 0.00102 0.00106 2.26294 R16 2.66615 -0.00255 0.00107 -0.00526 -0.00420 2.66194 R17 2.55200 0.00108 -0.00095 0.00310 0.00215 2.55415 R18 2.53607 -0.00020 0.00057 -0.00115 -0.00058 2.53550 R19 2.02501 -0.00030 0.00009 -0.00108 -0.00100 2.02402 R20 2.82669 -0.00022 -0.00041 0.00005 -0.00035 2.82635 R21 2.23559 -0.00228 -0.00026 -0.00106 -0.00132 2.23426 R22 2.50464 0.00062 -0.00095 0.00420 0.00326 2.50790 R23 2.04849 0.00049 -0.00013 0.00195 0.00182 2.05031 R24 2.68999 -0.00113 -0.00110 -0.00111 -0.00217 2.68783 R25 2.03889 -0.00049 -0.00009 -0.00104 -0.00113 2.03776 A1 1.94005 -0.00043 -0.00085 -0.00233 -0.00318 1.93687 A2 1.93877 0.00065 0.00161 0.00204 0.00365 1.94242 A3 1.93132 -0.00032 -0.00020 -0.00114 -0.00133 1.92999 A4 1.86883 -0.00022 -0.00001 -0.00158 -0.00159 1.86724 A5 1.94013 0.00007 -0.00143 0.00134 -0.00009 1.94004 A6 1.84155 0.00030 0.00096 0.00194 0.00291 1.84446 A7 1.91648 -0.00005 -0.00041 -0.00045 -0.00085 1.91563 A8 1.92853 -0.00031 -0.00019 -0.00066 -0.00085 1.92768 A9 1.92461 -0.00033 -0.00016 -0.00122 -0.00138 1.92323 A10 1.89397 0.00024 0.00028 0.00062 0.00089 1.89487 A11 1.89042 0.00013 0.00029 0.00039 0.00068 1.89110 A12 1.90915 0.00033 0.00021 0.00136 0.00158 1.91072 A13 1.92076 -0.00027 0.00014 -0.00137 -0.00123 1.91953 A14 2.16807 0.00023 0.00120 -0.00033 0.00095 2.16902 A15 2.04233 -0.00002 0.00105 -0.00110 -0.00001 2.04232 A16 2.00924 -0.00024 -0.00010 -0.00231 -0.00235 2.00689 A17 2.07344 0.00071 -0.00078 0.00404 0.00322 2.07666 A18 2.01672 -0.00025 0.00041 -0.00247 -0.00201 2.01471 A19 2.19297 -0.00046 0.00037 -0.00152 -0.00116 2.19181 A20 2.08080 -0.00002 -0.00017 0.00034 0.00019 2.08098 A21 2.16159 -0.00032 0.00048 -0.00188 -0.00140 2.16019 A22 2.04667 0.00032 0.00017 0.00074 0.00090 2.04757 A23 2.07477 -0.00000 -0.00063 0.00115 0.00052 2.07529 A24 2.04356 0.00039 0.00019 0.00107 0.00127 2.04483 A25 2.11207 0.00003 0.00013 0.00026 0.00039 2.11246 A26 2.12755 -0.00042 -0.00034 -0.00134 -0.00168 2.12587 A27 2.10675 0.00040 0.00036 0.00064 0.00101 2.10776 A28 2.02298 0.00006 -0.00066 0.00035 -0.00033 2.02265 A29 2.15323 -0.00046 0.00029 -0.00117 -0.00090 2.15234 A30 2.01044 0.00018 -0.00031 0.00114 0.00082 2.01125 A31 2.03037 0.00050 0.00221 -0.00254 -0.00021 2.03016 A32 2.24037 -0.00068 -0.00217 0.00180 -0.00043 2.23994 A33 2.12420 0.00113 0.00047 0.00365 0.00407 2.12827 A34 2.02201 -0.00043 0.00039 -0.00475 -0.00429 2.01772 A35 2.13679 -0.00070 -0.00085 0.00103 0.00014 2.13692 A36 1.94038 0.00053 0.00198 0.00526 0.00722 1.94760 A37 1.92588 0.00000 0.00194 -0.00462 -0.00251 1.92337 A38 1.97293 -0.00038 -0.00277 -0.00252 -0.00539 1.96755 A39 1.86931 0.00094 0.00163 0.01071 0.01230 1.88161 A40 1.89894 -0.00041 -0.00072 -0.00156 -0.00225 1.89669 A41 1.85150 -0.00066 -0.00212 -0.00707 -0.00929 1.84221 A42 2.10270 -0.00056 0.00361 -0.00836 -0.00459 2.09811 D1 1.09320 -0.00018 -0.00191 -0.00481 -0.00672 1.08648 D2 -3.10136 -0.00010 -0.00194 -0.00474 -0.00668 -3.10804 D3 -0.98858 -0.00010 -0.00191 -0.00426 -0.00617 -0.99475 D4 -3.11093 -0.00031 -0.00142 -0.00699 -0.00841 -3.11934 D5 -1.02231 -0.00023 -0.00146 -0.00692 -0.00838 -1.03068 D6 1.09048 -0.00023 -0.00142 -0.00644 -0.00786 1.08261 D7 -1.07148 0.00027 0.00066 -0.00404 -0.00338 -1.07486 D8 1.01714 0.00035 0.00063 -0.00397 -0.00334 1.01380 D9 3.12993 0.00035 0.00066 -0.00349 -0.00283 3.12709 D10 -1.69339 0.00008 0.01579 -0.03394 -0.01815 -1.71154 D11 2.46934 -0.00032 0.01432 -0.03404 -0.01971 2.44962 D12 0.46628 -0.00059 0.01392 -0.03614 -0.02223 0.44405 D13 1.47103 0.00001 0.00343 -0.00894 -0.00550 1.46552 D14 -1.66880 0.00009 0.00495 -0.00579 -0.00084 -1.66964 D15 -2.69090 -0.00027 0.00335 -0.01160 -0.00825 -2.69915 D16 0.45246 -0.00018 0.00487 -0.00845 -0.00358 0.44888 D17 -0.62265 -0.00015 0.00218 -0.00985 -0.00767 -0.63032 D18 2.52070 -0.00006 0.00370 -0.00670 -0.00300 2.51770 D19 -2.75769 -0.00000 -0.00875 0.01173 0.00300 -2.75468 D20 0.37297 0.00021 -0.00677 0.01682 0.01006 0.38303 D21 -0.01080 -0.00014 -0.00179 0.00010 -0.00172 -0.01252 D22 3.11985 0.00008 0.00019 0.00518 0.00534 3.12519 D23 2.85536 -0.00028 0.00277 -0.00690 -0.00417 2.85119 D24 -0.26566 0.00004 0.00290 -0.00310 -0.00024 -0.26590 D25 0.10179 -0.00019 -0.00427 0.00431 0.00001 0.10181 D26 -3.01922 0.00013 -0.00413 0.00810 0.00394 -3.01528 D27 3.11752 0.00007 0.00135 0.00084 0.00218 3.11970 D28 -0.01193 -0.00016 -0.00086 -0.00480 -0.00565 -0.01758 D29 -3.08927 -0.00003 -0.00353 0.00139 -0.00210 -3.09138 D30 0.11469 0.00000 -0.00001 -0.00485 -0.00486 0.10983 D31 0.04053 0.00021 -0.00139 0.00691 0.00552 0.04604 D32 -3.03870 0.00024 0.00213 0.00067 0.00276 -3.03593 D33 3.13094 0.00023 0.00206 0.00385 0.00592 3.13687 D34 -0.02983 0.00008 0.00299 0.00436 0.00737 -0.02246 D35 -3.09566 -0.00002 -0.00157 -0.00368 -0.00525 -3.10091 D36 0.04415 -0.00011 -0.00310 -0.00686 -0.00995 0.03420 D37 0.02775 -0.00017 -0.00068 -0.00323 -0.00390 0.02384 D38 -3.11563 -0.00026 -0.00221 -0.00641 -0.00861 -3.12424 D39 3.12461 0.00008 -0.00072 0.00618 0.00547 3.13008 D40 -0.03868 -0.00014 -0.00064 -0.00293 -0.00357 -0.04225 D41 -0.01513 0.00018 0.00087 0.00948 0.01035 -0.00478 D42 3.10476 -0.00005 0.00095 0.00037 0.00131 3.10608 D43 -0.02486 -0.00023 0.00131 -0.00892 -0.00761 -0.03248 D44 3.04542 -0.00021 -0.00244 -0.00197 -0.00445 3.04097 D45 3.14010 -0.00000 0.00123 0.00087 0.00211 -3.14098 D46 -0.07280 0.00002 -0.00251 0.00781 0.00528 -0.06752 D47 1.42969 0.00078 0.01426 -0.00422 0.01006 1.43975 D48 -0.64179 -0.00072 0.00958 -0.01792 -0.00831 -0.65010 D49 -2.71186 0.00036 0.01276 -0.00413 0.00859 -2.70327 D50 -1.63991 0.00077 0.01817 -0.01136 0.00683 -1.63307 D51 2.57180 -0.00073 0.01350 -0.02506 -0.01154 2.56026 D52 0.50173 0.00035 0.01667 -0.01128 0.00536 0.50709 D53 -0.36710 -0.00052 0.00770 -0.02191 -0.01427 -0.38137 D54 2.79523 -0.00021 0.00782 -0.01812 -0.01037 2.78487 D55 0.79603 0.00057 -0.01395 0.03198 0.01804 0.81407 D56 -1.31833 -0.00065 -0.01863 0.02165 0.00301 -1.31532 D57 2.93885 -0.00030 -0.01752 0.02181 0.00436 2.94321 Item Value Threshold Converged? Maximum Force 0.002553 0.000450 NO RMS Force 0.000569 0.000300 NO Maximum Displacement 0.036418 0.001800 NO RMS Displacement 0.007568 0.001200 NO Predicted change in Energy=-9.489915D-05 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.951084 -5.043156 2.185839 2 6 0 7.278662 -4.609321 3.603786 3 8 0 6.615281 -6.400484 2.142418 4 7 0 2.735828 -2.095873 0.285155 5 6 0 3.811176 -2.828709 0.717093 6 7 0 4.985418 -2.318228 0.633495 7 6 0 6.058874 -3.034412 1.086694 8 8 0 7.188528 -2.639363 1.044090 9 7 0 5.800505 -4.298587 1.651823 10 6 0 4.550843 -4.810006 1.711955 11 6 0 3.503367 -4.120422 1.234986 12 1 0 7.772205 -4.824382 1.523630 13 1 0 8.143092 -5.156941 3.964432 14 1 0 7.504206 -3.551579 3.632855 15 6 0 1.431007 -2.307275 0.698849 16 1 0 2.923028 -1.181437 -0.068921 17 1 0 4.467231 -5.792498 2.130162 18 6 0 2.080932 -4.564513 1.106936 19 1 0 6.442364 -4.819069 4.262216 20 1 0 7.366310 -6.911045 1.876405 21 8 0 0.585354 -1.496361 0.540183 22 1 0 1.877972 -4.975380 0.123486 23 8 0 1.202768 -3.463905 1.308255 24 1 0 1.803965 -5.295055 1.850177 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.518582 0.000000 3 O 1.398925 2.404981 0.000000 4 N 5.483380 6.161824 6.085168 0.000000 5 C 4.113394 4.850467 4.759426 1.371128 0.000000 6 N 3.701196 4.396670 4.647378 2.287233 1.283131 7 C 2.457481 3.209980 3.571356 3.544849 2.287152 8 O 2.671739 3.231238 3.959920 4.549495 3.398424 9 N 1.470846 2.468129 2.307058 4.013972 2.644180 10 C 2.457658 3.325702 2.641368 3.563223 2.337177 11 C 3.693550 4.483647 3.963096 2.364338 1.425300 12 H 1.077322 2.148693 2.050724 5.860348 4.508100 13 H 2.144113 1.084985 2.683345 7.221200 5.893333 14 H 2.150488 1.081912 3.335843 6.005298 4.760534 15 C 6.337779 6.923377 6.761284 1.385060 2.436684 16 H 6.018476 6.649113 6.764703 0.998302 2.029810 17 H 2.595022 3.387569 2.232469 4.479604 3.348316 18 C 5.011139 5.766513 5.000334 2.682983 2.481681 19 H 2.149500 1.084859 2.650343 6.080396 4.842786 20 H 1.938343 2.879142 0.946298 6.867265 5.536105 21 O 7.470639 7.992281 7.935843 2.246996 3.494621 22 H 5.476711 6.435366 5.343137 3.008923 2.949211 23 O 6.025556 6.595296 6.214067 2.295326 2.748953 24 H 5.164199 5.789445 4.945315 3.681363 3.375743 6 7 8 9 10 6 N 0.000000 7 C 1.367705 0.000000 8 O 2.263937 1.197496 0.000000 9 N 2.371325 1.408639 2.246992 0.000000 10 C 2.749708 2.412021 3.480678 1.351599 0.000000 11 C 2.409600 2.780651 3.976228 2.341439 1.341727 12 H 3.852185 2.516030 2.311913 2.044626 3.226895 13 H 5.396698 4.138898 3.972127 3.401859 4.254207 14 H 4.106289 2.973110 2.762878 2.717555 3.741103 15 C 3.555029 4.700671 5.777415 4.895508 4.125945 16 H 2.457465 3.821320 4.643149 4.577931 4.357501 17 H 3.818257 3.350999 4.304332 2.058688 1.071064 18 C 3.702160 4.262117 5.458727 3.768666 2.554755 19 H 4.641607 3.662787 3.957804 2.738071 3.175180 20 H 5.320475 4.166692 4.355643 3.054034 3.516855 21 O 4.477135 5.711715 6.720289 6.023787 5.298905 22 H 4.120290 4.709041 5.874223 4.263816 3.113651 23 O 4.009529 4.880094 6.048056 4.685501 3.631056 24 H 4.523656 4.878285 6.057722 4.123666 2.792796 11 12 13 14 15 11 C 0.000000 12 H 4.336110 0.000000 13 H 5.481906 2.491118 0.000000 14 H 4.698944 2.478039 1.759348 0.000000 15 C 2.805285 6.872182 7.989789 6.858603 0.000000 16 H 3.267200 6.270708 7.702054 6.348851 2.020671 17 H 2.127490 3.496853 4.156974 4.062391 4.838812 18 C 1.495639 5.712422 6.728005 6.067801 2.384127 19 H 4.276673 3.044398 1.759349 1.769219 6.642319 20 H 4.808465 2.154847 2.835512 3.793434 7.603234 21 O 3.985379 7.980834 9.068888 7.852328 1.182322 22 H 2.146694 6.060131 7.351025 6.782138 2.765792 23 O 2.393562 6.712286 7.621663 6.717111 1.327126 24 H 2.155503 5.995669 6.683837 6.221768 3.223583 16 17 18 19 20 16 H 0.000000 17 H 5.336892 0.000000 18 C 3.679262 2.872171 0.000000 19 H 6.661594 3.065024 5.389127 0.000000 20 H 7.507028 3.117724 5.833826 3.304866 0.000000 21 O 2.436166 6.004481 3.459988 7.694055 8.779844 22 H 3.939945 3.376195 1.084978 6.163376 6.077943 23 O 3.172629 4.093238 1.422336 6.165689 7.084831 24 H 4.675158 2.723752 1.078337 5.249689 5.792391 21 22 23 24 21 O 0.000000 22 H 3.734711 0.000000 23 O 2.200537 2.035715 0.000000 24 H 4.198950 1.757593 2.002056 0.000000 Stoichiometry C8H9N3O4 Framework group C1[X(C8H9N3O4)] Deg. of freedom 66 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 3.013686 -0.272414 -0.063336 2 6 0 3.514206 -0.171479 1.366833 3 8 0 3.207948 -1.560990 -0.572084 4 7 0 -2.333473 0.930349 -0.232758 5 6 0 -0.990264 0.655072 -0.231165 6 7 0 -0.155834 1.629626 -0.251047 7 6 0 1.185046 1.361493 -0.223445 8 8 0 2.033379 2.206432 -0.243630 9 7 0 1.572455 0.009392 -0.145963 10 6 0 0.665062 -0.992314 -0.139456 11 6 0 -0.648985 -0.728456 -0.201831 12 1 0 3.491020 0.466979 -0.684682 13 1 0 4.582040 -0.361414 1.395969 14 1 0 3.329381 0.818175 1.763013 15 6 0 -3.309306 0.056658 0.217582 16 1 0 -2.599152 1.892632 -0.238475 17 1 0 1.065066 -1.985499 -0.111903 18 6 0 -1.784438 -1.694280 -0.323764 19 1 0 3.019009 -0.908779 1.989799 20 1 0 3.997445 -1.587303 -1.093122 21 8 0 -4.405613 0.419943 0.470602 22 1 0 -2.069097 -1.847081 -1.359524 23 8 0 -2.923494 -1.203656 0.372568 24 1 0 -1.565556 -2.652794 0.119126 --------------------------------------------------------------------- Rotational constants (GHZ): 1.4504629 0.3631723 0.3091575 Standard basis: 6-31G(d) (6D, 7F) There are 243 symmetry adapted cartesian basis functions of A symmetry. There are 243 symmetry adapted basis functions of A symmetry. 243 basis functions, 456 primitive gaussians, 243 cartesian basis functions 55 alpha electrons 55 beta electrons nuclear repulsion energy 1027.0399342766 Hartrees. NAtoms= 24 NActive= 24 NUniq= 24 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. One-electron integrals computed using PRISM. NBasis= 243 RedAO= T EigKep= 8.43D-04 NBF= 243 NBsUse= 243 1.00D-06 EigRej= -1.00D+00 NBFU= 243 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 -0.000000 0.000000 Rot= 1.000000 0.000236 -0.000270 0.000161 Ang= 0.05 deg. ExpMin= 1.61D-01 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn= 5 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 5 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 5 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -771.024357879 A.U. after 11 cycles NFock= 11 Conv=0.82D-08 -V/T= 2.0017 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 -0.000452597 -0.000646469 0.000014997 2 6 0.000038974 0.000030937 -0.000010208 3 8 0.000921395 0.000739161 0.000809717 4 7 0.000294189 0.000261876 0.000051446 5 6 -0.000177001 0.000422086 0.000114770 6 7 -0.000349950 0.000428802 -0.000396407 7 6 -0.000276238 -0.001548348 0.000663145 8 8 -0.000184665 0.000043952 0.000180585 9 7 0.000126956 0.001730108 -0.000813928 10 6 0.000008291 -0.000654091 -0.000420409 11 6 0.000083726 0.000023528 0.000044414 12 1 0.000170981 -0.000362616 0.000322224 13 1 -0.000109829 -0.000199855 -0.000131779 14 1 -0.000106198 0.000162725 -0.000163026 15 6 -0.000455058 0.000925488 -0.000187826 16 1 0.000036582 0.000093692 -0.000056793 17 1 -0.000198569 -0.000019285 0.000080003 18 6 -0.000346054 0.000600948 0.000669256 19 1 0.000047937 -0.000106174 -0.000168016 20 1 -0.000256248 0.000052490 -0.000481867 21 8 0.001155981 -0.001417664 0.000307786 22 1 -0.000083726 -0.000025069 0.000381917 23 8 -0.000083088 -0.000134436 -0.000736473 24 1 0.000194211 -0.000401785 -0.000073527 ------------------------------------------------------------------- Cartesian Forces: Max 0.001730108 RMS 0.000499760 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.001840444 RMS 0.000297033 Search for a local minimum. Step number 24 out of a maximum of 134 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swapping is turned off. Update second derivatives using D2CorX and points 21 23 24 DE= -9.66D-05 DEPred=-9.49D-05 R= 1.02D+00 TightC=F SS= 1.41D+00 RLast= 6.55D-02 DXNew= 1.3961D+00 1.9646D-01 Trust test= 1.02D+00 RLast= 6.55D-02 DXMaxT set to 8.30D-01 ITU= 1 0 -1 1 1 0 0 0 0 1 0 0 0 0 1 1 1 1 1 1 ITU= -1 1 1 0 Eigenvalues --- 0.00267 0.00283 0.00529 0.01105 0.01266 Eigenvalues --- 0.01634 0.01750 0.01843 0.01976 0.02156 Eigenvalues --- 0.02225 0.02562 0.02704 0.05553 0.05775 Eigenvalues --- 0.05884 0.07051 0.07691 0.07762 0.08194 Eigenvalues --- 0.08673 0.09486 0.12520 0.12673 0.14730 Eigenvalues --- 0.15819 0.16066 0.16329 0.16459 0.16793 Eigenvalues --- 0.18885 0.20739 0.22050 0.23025 0.23733 Eigenvalues --- 0.24335 0.24543 0.24842 0.26974 0.27143 Eigenvalues --- 0.29497 0.31674 0.33560 0.33761 0.33824 Eigenvalues --- 0.33893 0.34007 0.34275 0.34598 0.37122 Eigenvalues --- 0.38739 0.40733 0.43393 0.43947 0.44971 Eigenvalues --- 0.46085 0.47867 0.48907 0.49452 0.51044 Eigenvalues --- 0.52417 0.56924 0.59565 0.71774 0.88360 Eigenvalues --- 1.14575 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 24 23 RFO step: Lambda=-5.45702160D-05. DidBck=F Rises=F RFO-DIIS coefs: 1.53721 -0.53721 Iteration 1 RMS(Cart)= 0.00458966 RMS(Int)= 0.00006173 Iteration 2 RMS(Cart)= 0.00006703 RMS(Int)= 0.00000715 Iteration 3 RMS(Cart)= 0.00000001 RMS(Int)= 0.00000715 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.86970 -0.00050 0.00239 -0.00320 -0.00081 2.86890 R2 2.64358 -0.00094 0.00030 -0.00203 -0.00173 2.64185 R3 2.77950 0.00044 0.00040 0.00171 0.00211 2.78161 R4 2.03584 -0.00014 0.00027 -0.00037 -0.00010 2.03574 R5 2.05033 -0.00003 -0.00041 0.00023 -0.00017 2.05015 R6 2.04452 0.00013 -0.00108 0.00111 0.00003 2.04454 R7 2.05009 -0.00012 -0.00010 -0.00003 -0.00014 2.04995 R8 1.78824 -0.00010 -0.00082 0.00080 -0.00002 1.78823 R9 2.59106 -0.00048 -0.00057 -0.00016 -0.00073 2.59032 R10 2.61738 -0.00021 0.00132 -0.00205 -0.00073 2.61665 R11 1.88652 0.00011 0.00010 -0.00003 0.00006 1.88658 R12 2.42477 -0.00038 0.00103 -0.00146 -0.00043 2.42433 R13 2.69343 0.00035 -0.00255 0.00295 0.00040 2.69383 R14 2.58459 0.00027 0.00087 0.00016 0.00103 2.58562 R15 2.26294 -0.00017 0.00057 -0.00011 0.00046 2.26340 R16 2.66194 -0.00125 -0.00226 -0.00139 -0.00365 2.65829 R17 2.55415 0.00012 0.00115 -0.00067 0.00048 2.55464 R18 2.53550 -0.00013 -0.00031 -0.00038 -0.00069 2.53481 R19 2.02402 0.00006 -0.00053 0.00055 0.00002 2.02403 R20 2.82635 -0.00013 -0.00019 -0.00036 -0.00055 2.82580 R21 2.23426 -0.00184 -0.00071 -0.00020 -0.00091 2.23336 R22 2.50790 -0.00008 0.00175 -0.00089 0.00086 2.50877 R23 2.05031 -0.00032 0.00098 -0.00120 -0.00022 2.05009 R24 2.68783 -0.00047 -0.00116 0.00058 -0.00059 2.68724 R25 2.03776 0.00017 -0.00061 0.00073 0.00012 2.03788 A1 1.93687 -0.00018 -0.00171 0.00095 -0.00076 1.93611 A2 1.94242 -0.00019 0.00196 -0.00261 -0.00065 1.94177 A3 1.92999 -0.00000 -0.00072 0.00078 0.00005 1.93004 A4 1.86724 0.00040 -0.00085 0.00197 0.00112 1.86836 A5 1.94004 -0.00013 -0.00005 -0.00010 -0.00015 1.93990 A6 1.84446 0.00014 0.00156 -0.00111 0.00046 1.84491 A7 1.91563 -0.00022 -0.00046 -0.00095 -0.00141 1.91422 A8 1.92768 -0.00016 -0.00045 -0.00032 -0.00077 1.92691 A9 1.92323 -0.00016 -0.00074 0.00008 -0.00066 1.92257 A10 1.89487 0.00027 0.00048 0.00123 0.00171 1.89658 A11 1.89110 0.00011 0.00037 -0.00018 0.00018 1.89128 A12 1.91072 0.00016 0.00085 0.00015 0.00100 1.91172 A13 1.91953 0.00011 -0.00066 0.00139 0.00073 1.92026 A14 2.16902 -0.00038 0.00051 -0.00115 -0.00066 2.16836 A15 2.04232 0.00018 -0.00001 0.00058 0.00058 2.04290 A16 2.00689 0.00022 -0.00126 0.00205 0.00080 2.00768 A17 2.07666 -0.00009 0.00173 -0.00168 0.00006 2.07672 A18 2.01471 0.00011 -0.00108 0.00130 0.00020 2.01491 A19 2.19181 -0.00002 -0.00062 0.00037 -0.00026 2.19155 A20 2.08098 -0.00041 0.00010 -0.00131 -0.00121 2.07977 A21 2.16019 -0.00026 -0.00075 -0.00105 -0.00180 2.15840 A22 2.04757 0.00048 0.00048 0.00085 0.00133 2.04890 A23 2.07529 -0.00022 0.00028 0.00018 0.00046 2.07575 A24 2.04483 -0.00016 0.00068 -0.00057 0.00011 2.04494 A25 2.11246 0.00002 0.00021 -0.00079 -0.00058 2.11188 A26 2.12587 0.00014 -0.00090 0.00136 0.00045 2.12633 A27 2.10776 -0.00032 0.00054 -0.00149 -0.00097 2.10679 A28 2.02265 0.00035 -0.00018 0.00099 0.00081 2.02346 A29 2.15234 -0.00002 -0.00048 0.00076 0.00027 2.15260 A30 2.01125 0.00014 0.00044 0.00036 0.00080 2.01205 A31 2.03016 0.00014 -0.00011 0.00095 0.00083 2.03099 A32 2.23994 -0.00027 -0.00023 -0.00134 -0.00157 2.23837 A33 2.12827 0.00005 0.00219 -0.00141 0.00079 2.12906 A34 2.01772 0.00041 -0.00230 0.00262 0.00030 2.01801 A35 2.13692 -0.00046 0.00007 -0.00118 -0.00110 2.13582 A36 1.94760 0.00006 0.00388 -0.00237 0.00149 1.94910 A37 1.92337 -0.00017 -0.00135 0.00054 -0.00085 1.92252 A38 1.96755 -0.00003 -0.00289 0.00173 -0.00119 1.96636 A39 1.88161 -0.00012 0.00661 -0.00623 0.00037 1.88198 A40 1.89669 -0.00018 -0.00121 0.00062 -0.00057 1.89612 A41 1.84221 0.00045 -0.00499 0.00577 0.00076 1.84297 A42 2.09811 0.00007 -0.00246 0.00191 -0.00057 2.09754 D1 1.08648 -0.00024 -0.00361 0.00370 0.00009 1.08658 D2 -3.10804 -0.00015 -0.00359 0.00442 0.00083 -3.10721 D3 -0.99475 -0.00015 -0.00332 0.00446 0.00115 -0.99360 D4 -3.11934 0.00001 -0.00452 0.00510 0.00058 -3.11876 D5 -1.03068 0.00011 -0.00450 0.00582 0.00132 -1.02936 D6 1.08261 0.00011 -0.00422 0.00586 0.00164 1.08425 D7 -1.07486 0.00006 -0.00182 0.00259 0.00078 -1.07408 D8 1.01380 0.00016 -0.00180 0.00332 0.00152 1.01532 D9 3.12709 0.00016 -0.00152 0.00336 0.00183 3.12893 D10 -1.71154 -0.00025 -0.00975 -0.02095 -0.03070 -1.74224 D11 2.44962 -0.00017 -0.01059 -0.01958 -0.03017 2.41946 D12 0.44405 -0.00048 -0.01194 -0.01933 -0.03127 0.41277 D13 1.46552 -0.00008 -0.00296 -0.00387 -0.00683 1.45869 D14 -1.66964 -0.00000 -0.00045 -0.00356 -0.00400 -1.67364 D15 -2.69915 -0.00016 -0.00443 -0.00299 -0.00742 -2.70657 D16 0.44888 -0.00009 -0.00192 -0.00267 -0.00460 0.44428 D17 -0.63032 -0.00006 -0.00412 -0.00269 -0.00681 -0.63713 D18 2.51770 0.00002 -0.00161 -0.00238 -0.00399 2.51372 D19 -2.75468 -0.00016 0.00161 -0.00147 0.00013 -2.75455 D20 0.38303 -0.00010 0.00540 -0.00417 0.00123 0.38426 D21 -0.01252 -0.00005 -0.00092 0.00338 0.00245 -0.01007 D22 3.12519 0.00002 0.00287 0.00068 0.00355 3.12873 D23 2.85119 0.00009 -0.00224 0.00502 0.00278 2.85398 D24 -0.26590 0.00011 -0.00013 0.00379 0.00366 -0.26223 D25 0.10181 -0.00001 0.00001 0.00054 0.00055 0.10235 D26 -3.01528 0.00001 0.00212 -0.00069 0.00142 -3.01386 D27 3.11970 0.00005 0.00117 -0.00172 -0.00054 3.11916 D28 -0.01758 -0.00002 -0.00304 0.00127 -0.00176 -0.01934 D29 -3.09138 -0.00018 -0.00113 -0.00200 -0.00313 -3.09450 D30 0.10983 -0.00019 -0.00261 -0.00141 -0.00402 0.10582 D31 0.04604 -0.00011 0.00296 -0.00491 -0.00195 0.04410 D32 -3.03593 -0.00012 0.00148 -0.00431 -0.00284 -3.03877 D33 3.13687 0.00020 0.00318 0.00093 0.00412 3.14098 D34 -0.02246 0.00009 0.00396 0.00004 0.00400 -0.01846 D35 -3.10091 0.00004 -0.00282 0.00293 0.00010 -3.10080 D36 0.03420 -0.00003 -0.00535 0.00260 -0.00275 0.03145 D37 0.02384 -0.00005 -0.00210 0.00206 -0.00003 0.02381 D38 -3.12424 -0.00013 -0.00462 0.00174 -0.00289 -3.12712 D39 3.13008 -0.00018 0.00294 -0.00688 -0.00394 3.12614 D40 -0.04225 0.00001 -0.00192 0.00204 0.00012 -0.04213 D41 -0.00478 -0.00009 0.00556 -0.00654 -0.00099 -0.00576 D42 3.10608 0.00009 0.00070 0.00237 0.00308 3.10915 D43 -0.03248 0.00016 -0.00409 0.00729 0.00320 -0.02928 D44 3.04097 0.00019 -0.00239 0.00672 0.00433 3.04530 D45 -3.14098 -0.00004 0.00113 -0.00231 -0.00118 3.14103 D46 -0.06752 -0.00002 0.00283 -0.00289 -0.00005 -0.06757 D47 1.43975 0.00007 0.00541 -0.00219 0.00323 1.44298 D48 -0.65010 0.00030 -0.00447 0.00682 0.00236 -0.64774 D49 -2.70327 -0.00014 0.00461 -0.00189 0.00272 -2.70055 D50 -1.63307 0.00004 0.00367 -0.00159 0.00209 -1.63098 D51 2.56026 0.00027 -0.00620 0.00742 0.00122 2.56148 D52 0.50709 -0.00017 0.00288 -0.00129 0.00158 0.50867 D53 -0.38137 -0.00002 -0.00767 0.00202 -0.00564 -0.38701 D54 2.78487 -0.00001 -0.00557 0.00078 -0.00479 2.78008 D55 0.81407 -0.00028 0.00969 -0.00716 0.00252 0.81659 D56 -1.31532 -0.00017 0.00162 -0.00063 0.00097 -1.31435 D57 2.94321 -0.00013 0.00234 -0.00128 0.00108 2.94429 Item Value Threshold Converged? Maximum Force 0.001840 0.000450 NO RMS Force 0.000297 0.000300 YES Maximum Displacement 0.032679 0.001800 NO RMS Displacement 0.004597 0.001200 NO Predicted change in Energy=-2.737635D-05 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.951189 -5.044319 2.187505 2 6 0 7.278334 -4.606501 3.603868 3 8 0 6.615341 -6.400843 2.149072 4 7 0 2.737335 -2.095718 0.284720 5 6 0 3.812007 -2.828220 0.717675 6 7 0 4.986093 -2.317742 0.635389 7 6 0 6.058447 -3.035123 1.090943 8 8 0 7.187668 -2.637623 1.053043 9 7 0 5.800496 -4.299462 1.651066 10 6 0 4.550990 -4.812215 1.708769 11 6 0 3.504185 -4.120773 1.234051 12 1 0 7.772799 -4.828427 1.525046 13 1 0 8.142539 -5.153951 3.965033 14 1 0 7.503259 -3.548516 3.629182 15 6 0 1.432763 -2.307819 0.697545 16 1 0 2.924484 -1.181970 -0.071251 17 1 0 4.466713 -5.794887 2.126438 18 6 0 2.081692 -4.564490 1.108748 19 1 0 6.441878 -4.815344 4.262267 20 1 0 7.358106 -6.910437 1.859112 21 8 0 0.585855 -1.499414 0.536380 22 1 0 1.875662 -4.977004 0.126756 23 8 0 1.205307 -3.463024 1.310929 24 1 0 1.806860 -5.294178 1.853712 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.518155 0.000000 3 O 1.398008 2.403259 0.000000 4 N 5.483740 6.159662 6.086775 0.000000 5 C 4.114116 4.848485 4.761429 1.370741 0.000000 6 N 3.702012 4.393706 4.649451 2.286738 1.282901 7 C 2.456889 3.205018 3.571811 3.544328 2.286619 8 O 2.671163 3.223571 3.961144 4.548564 3.397629 9 N 1.471962 2.468140 2.308199 4.013271 2.643834 10 C 2.458458 3.327480 2.641808 3.563231 2.337647 11 C 3.693758 4.482874 3.964249 2.364347 1.425514 12 H 1.077267 2.148313 2.049783 5.861911 4.510049 13 H 2.142649 1.084893 2.680446 7.218984 5.891338 14 H 2.149568 1.081925 3.333900 6.000840 4.756158 15 C 6.337305 6.921080 6.761574 1.384673 2.435575 16 H 6.019474 6.647549 6.766749 0.998336 2.029838 17 H 2.596093 3.391205 2.232554 4.479568 3.348786 18 C 5.010584 5.764762 5.000844 2.683976 2.482249 19 H 2.148596 1.084787 2.647544 6.077901 4.840352 20 H 1.937993 2.891134 0.946289 6.856512 5.526498 21 O 7.470612 7.990791 7.935961 2.246726 3.493802 22 H 5.478338 6.435561 5.346179 3.011519 2.952269 23 O 6.023623 6.591416 6.213028 2.295592 2.747692 24 H 5.161198 5.785583 4.943018 3.682074 3.375225 6 7 8 9 10 6 N 0.000000 7 C 1.368250 0.000000 8 O 2.263557 1.197741 0.000000 9 N 2.371090 1.406708 2.245792 0.000000 10 C 2.750246 2.410848 3.480071 1.351855 0.000000 11 C 2.409433 2.779095 3.974990 2.340700 1.341361 12 H 3.854966 2.518608 2.316201 2.045889 3.227083 13 H 5.393864 4.134400 3.965271 3.401435 4.255201 14 H 4.100455 2.965419 2.750603 2.715928 3.741766 15 C 3.553887 4.699009 5.775299 4.894174 4.125277 16 H 2.457549 3.821857 4.643027 4.577835 4.358058 17 H 3.818838 3.349950 4.303962 2.059431 1.071072 18 C 3.702363 4.260734 5.457738 3.767473 2.553199 19 H 4.638057 3.656980 3.949404 2.737860 3.177392 20 H 5.311948 4.158997 4.351521 3.047396 3.507854 21 O 4.476780 5.710972 6.719106 6.022896 5.298249 22 H 4.123731 4.711289 5.877764 4.264611 3.112443 23 O 4.007788 4.876931 6.044537 4.683064 3.629351 24 H 4.522278 4.874539 6.054044 4.120638 2.789901 11 12 13 14 15 11 C 0.000000 12 H 4.336648 0.000000 13 H 5.480881 2.489219 0.000000 14 H 4.696458 2.477542 1.760368 0.000000 15 C 2.804537 6.872719 7.987367 6.854542 0.000000 16 H 3.267480 6.273035 7.700410 6.344992 2.020845 17 H 2.127316 3.496558 4.159679 4.065099 4.837999 18 C 1.495350 5.712413 6.726047 6.064501 2.383853 19 H 4.275811 3.043666 1.759333 1.769796 6.639740 20 H 4.798503 2.149031 2.852277 3.802200 7.592300 21 O 3.984334 7.981977 9.067237 7.849505 1.181841 22 H 2.147399 6.062467 7.351016 6.780665 2.765232 23 O 2.392359 6.711342 7.617657 6.711617 1.327582 24 H 2.154477 5.993110 6.679684 6.216799 3.224129 16 17 18 19 20 16 H 0.000000 17 H 5.337351 0.000000 18 C 3.680236 2.870174 0.000000 19 H 6.659793 3.069617 5.386913 0.000000 20 H 7.496575 3.110638 5.822977 3.317234 0.000000 21 O 2.437041 6.003369 3.458298 7.692245 8.768818 22 H 3.942273 3.373605 1.084862 6.162704 6.066005 23 O 3.173200 4.091382 1.422024 6.161237 7.074043 24 H 4.675983 2.720277 1.078401 5.245361 5.781752 21 22 23 24 21 O 0.000000 22 H 3.731626 0.000000 23 O 2.199867 2.035627 0.000000 24 H 4.198387 1.757188 2.002399 0.000000 Stoichiometry C8H9N3O4 Framework group C1[X(C8H9N3O4)] Deg. of freedom 66 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 3.013927 -0.273289 -0.064548 2 6 0 3.512981 -0.166784 1.365276 3 8 0 3.209026 -1.563275 -0.566842 4 7 0 -2.333275 0.930914 -0.234032 5 6 0 -0.990489 0.655504 -0.231723 6 7 0 -0.155992 1.629687 -0.252123 7 6 0 1.185018 1.359579 -0.223103 8 8 0 2.033162 2.205134 -0.239575 9 7 0 1.571771 0.009123 -0.148815 10 6 0 0.664510 -0.993054 -0.143238 11 6 0 -0.649111 -0.728223 -0.202505 12 1 0 3.492248 0.463199 -0.688486 13 1 0 4.580729 -0.356649 1.394606 14 1 0 3.326634 0.824377 1.756986 15 6 0 -3.308479 0.057447 0.216912 16 1 0 -2.599366 1.893095 -0.242835 17 1 0 1.063992 -1.986442 -0.115119 18 6 0 -1.783982 -1.694850 -0.319857 19 1 0 3.017755 -0.902633 1.989808 20 1 0 3.984242 -1.586046 -1.109045 21 8 0 -4.405526 0.418957 0.467004 22 1 0 -2.070962 -1.852200 -1.354172 23 8 0 -2.921206 -1.202210 0.377409 24 1 0 -1.562685 -2.651596 0.125805 --------------------------------------------------------------------- Rotational constants (GHZ): 1.4513159 0.3633388 0.3092590 Standard basis: 6-31G(d) (6D, 7F) There are 243 symmetry adapted cartesian basis functions of A symmetry. There are 243 symmetry adapted basis functions of A symmetry. 243 basis functions, 456 primitive gaussians, 243 cartesian basis functions 55 alpha electrons 55 beta electrons nuclear repulsion energy 1027.2235340789 Hartrees. NAtoms= 24 NActive= 24 NUniq= 24 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. One-electron integrals computed using PRISM. NBasis= 243 RedAO= T EigKep= 8.42D-04 NBF= 243 NBsUse= 243 1.00D-06 EigRej= -1.00D+00 NBFU= 243 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 0.000000 -0.000000 Rot= 1.000000 0.000491 -0.000003 -0.000025 Ang= 0.06 deg. ExpMin= 1.61D-01 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn= 5 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 5 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 5 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -771.024406661 A.U. after 11 cycles NFock= 11 Conv=0.65D-08 -V/T= 2.0016 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 -0.000631026 -0.000137343 -0.000241082 2 6 0.000046140 0.000009153 -0.000096259 3 8 0.000959307 0.000159610 0.000910676 4 7 0.000099322 0.000298640 -0.000063210 5 6 0.000010589 0.000187397 0.000069307 6 7 -0.000145276 0.000103080 -0.000186673 7 6 0.000072033 -0.000253176 0.000148075 8 8 -0.000157288 -0.000135413 0.000147165 9 7 0.000224926 0.000487142 -0.000417123 10 6 0.000184712 -0.000200007 -0.000031456 11 6 -0.000050245 -0.000106542 -0.000106194 12 1 0.000172640 -0.000211886 0.000282059 13 1 -0.000069861 -0.000095434 -0.000026123 14 1 -0.000073458 0.000065241 -0.000009738 15 6 -0.000405390 0.000241205 0.000188361 16 1 0.000012890 0.000070665 0.000005736 17 1 -0.000102414 -0.000029297 -0.000057068 18 6 -0.000411661 0.000544709 0.000768937 19 1 0.000038340 -0.000049897 -0.000081492 20 1 -0.000385981 0.000073550 -0.000568120 21 8 0.000595928 -0.000639540 0.000100123 22 1 -0.000020502 -0.000005011 0.000247339 23 8 -0.000059480 -0.000036933 -0.000905905 24 1 0.000095756 -0.000339915 -0.000077333 ------------------------------------------------------------------- Cartesian Forces: Max 0.000959307 RMS 0.000311430 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000878156 RMS 0.000169227 Search for a local minimum. Step number 25 out of a maximum of 134 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swapping is turned off. Update second derivatives using D2CorX and points 21 23 24 25 DE= -4.88D-05 DEPred=-2.74D-05 R= 1.78D+00 TightC=F SS= 1.41D+00 RLast= 5.82D-02 DXNew= 1.3961D+00 1.7463D-01 Trust test= 1.78D+00 RLast= 5.82D-02 DXMaxT set to 8.30D-01 ITU= 1 1 0 -1 1 1 0 0 0 0 1 0 0 0 0 1 1 1 1 1 ITU= 1 -1 1 1 0 Eigenvalues --- 0.00089 0.00267 0.00504 0.00536 0.01212 Eigenvalues --- 0.01642 0.01752 0.01844 0.01986 0.02167 Eigenvalues --- 0.02225 0.02556 0.02923 0.05557 0.05770 Eigenvalues --- 0.05849 0.06972 0.07652 0.07782 0.08362 Eigenvalues --- 0.08646 0.09370 0.12643 0.12684 0.14737 Eigenvalues --- 0.15853 0.16082 0.16400 0.16599 0.16797 Eigenvalues --- 0.18951 0.20683 0.21828 0.23279 0.24218 Eigenvalues --- 0.24385 0.24714 0.25281 0.26911 0.28130 Eigenvalues --- 0.30014 0.33445 0.33677 0.33793 0.33869 Eigenvalues --- 0.33903 0.34104 0.34424 0.34769 0.36130 Eigenvalues --- 0.38822 0.40935 0.43406 0.44475 0.45365 Eigenvalues --- 0.47743 0.48006 0.49007 0.50990 0.52195 Eigenvalues --- 0.54486 0.59076 0.60579 0.71844 0.89121 Eigenvalues --- 1.17111 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 25 24 23 RFO step: Lambda=-3.54199985D-04. DidBck=F Rises=F RFO-DIIS coefs: 3.00000 -1.63823 -0.36177 Iteration 1 RMS(Cart)= 0.02870768 RMS(Int)= 0.01236653 Iteration 2 RMS(Cart)= 0.01132804 RMS(Int)= 0.00046142 Iteration 3 RMS(Cart)= 0.00044726 RMS(Int)= 0.00004625 Iteration 4 RMS(Cart)= 0.00000045 RMS(Int)= 0.00004625 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.86890 -0.00023 -0.00000 -0.00229 -0.00230 2.86660 R2 2.64185 -0.00037 -0.00326 -0.00667 -0.00994 2.63192 R3 2.78161 0.00020 0.00448 0.01105 0.01553 2.79714 R4 2.03574 -0.00008 -0.00002 -0.00036 -0.00038 2.03536 R5 2.05015 -0.00002 -0.00062 -0.00084 -0.00147 2.04869 R6 2.04454 0.00005 -0.00068 -0.00024 -0.00092 2.04362 R7 2.04995 -0.00007 -0.00034 -0.00049 -0.00083 2.04912 R8 1.78823 -0.00017 -0.00058 -0.00093 -0.00151 1.78671 R9 2.59032 -0.00002 -0.00185 -0.00103 -0.00286 2.58747 R10 2.61665 0.00004 -0.00057 -0.00225 -0.00284 2.61381 R11 1.88658 0.00007 0.00019 0.00030 0.00049 1.88707 R12 2.42433 -0.00008 -0.00017 -0.00132 -0.00150 2.42283 R13 2.69383 0.00027 -0.00091 0.00300 0.00211 2.69594 R14 2.58562 0.00015 0.00265 0.00522 0.00786 2.59348 R15 2.26340 -0.00020 0.00131 0.00176 0.00306 2.26646 R16 2.65829 -0.00033 -0.00882 -0.01380 -0.02262 2.63567 R17 2.55464 0.00014 0.00174 0.00300 0.00476 2.55939 R18 2.53481 0.00021 -0.00159 -0.00172 -0.00330 2.53150 R19 2.02403 0.00001 -0.00033 0.00003 -0.00030 2.02373 R20 2.82580 0.00016 -0.00122 0.00036 -0.00086 2.82494 R21 2.23336 -0.00088 -0.00229 -0.00282 -0.00512 2.22824 R22 2.50877 -0.00022 0.00290 0.00312 0.00600 2.51476 R23 2.05009 -0.00022 0.00022 -0.00085 -0.00063 2.04946 R24 2.68724 -0.00029 -0.00196 -0.00172 -0.00367 2.68357 R25 2.03788 0.00015 -0.00017 0.00079 0.00063 2.03851 A1 1.93611 -0.00026 -0.00266 -0.00442 -0.00708 1.92903 A2 1.94177 -0.00009 0.00002 -0.00319 -0.00316 1.93861 A3 1.93004 0.00001 -0.00037 -0.00046 -0.00084 1.92920 A4 1.86836 0.00041 0.00167 0.00736 0.00902 1.87739 A5 1.93990 -0.00007 -0.00033 0.00126 0.00090 1.94080 A6 1.84491 0.00002 0.00196 -0.00011 0.00184 1.84676 A7 1.91422 -0.00007 -0.00313 -0.00444 -0.00759 1.90663 A8 1.92691 0.00002 -0.00185 -0.00097 -0.00283 1.92408 A9 1.92257 -0.00010 -0.00182 -0.00257 -0.00441 1.91816 A10 1.89658 0.00010 0.00375 0.00640 0.01015 1.90673 A11 1.89128 0.00003 0.00062 -0.00084 -0.00027 1.89101 A12 1.91172 0.00003 0.00257 0.00255 0.00511 1.91683 A13 1.92026 0.00018 0.00102 0.00529 0.00631 1.92658 A14 2.16836 -0.00014 -0.00098 -0.00099 -0.00209 2.16627 A15 2.04290 0.00008 0.00116 0.00086 0.00204 2.04493 A16 2.00768 0.00010 0.00074 0.00279 0.00359 2.01127 A17 2.07672 -0.00002 0.00128 0.00112 0.00245 2.07917 A18 2.01491 0.00002 -0.00032 0.00038 -0.00001 2.01490 A19 2.19155 -0.00001 -0.00093 -0.00149 -0.00246 2.18910 A20 2.07977 -0.00009 -0.00236 -0.00297 -0.00542 2.07435 A21 2.15840 0.00005 -0.00410 -0.00585 -0.00992 2.14847 A22 2.04890 0.00019 0.00299 0.00388 0.00682 2.05572 A23 2.07575 -0.00024 0.00111 0.00198 0.00312 2.07887 A24 2.04494 -0.00022 0.00068 0.00018 0.00081 2.04575 A25 2.11188 0.00020 -0.00102 -0.00188 -0.00296 2.10892 A26 2.12633 0.00001 0.00030 0.00160 0.00179 2.12812 A27 2.10679 -0.00007 -0.00157 -0.00233 -0.00394 2.10285 A28 2.02346 0.00015 0.00149 0.00241 0.00391 2.02737 A29 2.15260 -0.00007 0.00021 0.00001 0.00022 2.15282 A30 2.01205 -0.00003 0.00190 0.00177 0.00367 2.01573 A31 2.03099 -0.00000 0.00158 0.00162 0.00311 2.03409 A32 2.23837 0.00003 -0.00330 -0.00328 -0.00650 2.23187 A33 2.12906 -0.00006 0.00305 0.00232 0.00546 2.13451 A34 2.01801 0.00020 -0.00096 0.00022 -0.00093 2.01709 A35 2.13582 -0.00014 -0.00215 -0.00258 -0.00464 2.13118 A36 1.94910 -0.00009 0.00560 0.00166 0.00726 1.95636 A37 1.92252 0.00004 -0.00261 -0.00289 -0.00567 1.91685 A38 1.96636 0.00003 -0.00432 -0.00062 -0.00489 1.96147 A39 1.88198 -0.00016 0.00519 -0.00153 0.00372 1.88570 A40 1.89612 -0.00013 -0.00196 -0.00321 -0.00516 1.89095 A41 1.84297 0.00031 -0.00184 0.00677 0.00493 1.84790 A42 2.09754 0.00014 -0.00280 -0.00185 -0.00486 2.09268 D1 1.08658 -0.00023 -0.00225 -0.00021 -0.00244 1.08413 D2 -3.10721 -0.00015 -0.00075 0.00428 0.00353 -3.10367 D3 -0.99360 -0.00016 0.00006 0.00515 0.00520 -0.98840 D4 -3.11876 0.00006 -0.00188 0.00404 0.00218 -3.11658 D5 -1.02936 0.00014 -0.00038 0.00854 0.00816 -1.02120 D6 1.08425 0.00013 0.00043 0.00940 0.00982 1.09407 D7 -1.07408 0.00003 0.00033 0.00164 0.00198 -1.07210 D8 1.01532 0.00012 0.00183 0.00613 0.00796 1.02328 D9 3.12893 0.00011 0.00264 0.00699 0.00962 3.13855 D10 -1.74224 -0.00030 -0.06796 -0.20680 -0.27477 -2.01701 D11 2.41946 -0.00030 -0.06747 -0.20495 -0.27240 2.14706 D12 0.41277 -0.00052 -0.07059 -0.20967 -0.28026 0.13251 D13 1.45869 -0.00003 -0.01564 -0.02878 -0.04441 1.41428 D14 -1.67364 0.00003 -0.00831 -0.01570 -0.02401 -1.69765 D15 -2.70657 -0.00013 -0.01782 -0.03138 -0.04921 -2.75578 D16 0.44428 -0.00007 -0.01049 -0.01831 -0.02882 0.41547 D17 -0.63713 -0.00001 -0.01640 -0.02640 -0.04278 -0.67992 D18 2.51372 0.00005 -0.00906 -0.01332 -0.02238 2.49133 D19 -2.75455 -0.00019 0.00135 -0.00266 -0.00139 -2.75594 D20 0.38426 -0.00014 0.00610 0.00217 0.00821 0.39247 D21 -0.01007 -0.00007 0.00428 0.00586 0.01007 0.00000 D22 3.12873 -0.00003 0.00902 0.01068 0.01967 -3.13478 D23 2.85398 0.00012 0.00406 0.01298 0.01703 2.87100 D24 -0.26223 0.00007 0.00724 0.01444 0.02166 -0.24057 D25 0.10235 0.00001 0.00110 0.00499 0.00605 0.10840 D26 -3.01386 -0.00003 0.00427 0.00645 0.01068 -3.00317 D27 3.11916 0.00006 -0.00030 -0.00016 -0.00037 3.11879 D28 -0.01934 0.00001 -0.00556 -0.00553 -0.01101 -0.03035 D29 -3.09450 -0.00011 -0.00701 -0.01009 -0.01708 -3.11158 D30 0.10582 -0.00012 -0.00979 -0.01181 -0.02162 0.08419 D31 0.04410 -0.00006 -0.00190 -0.00490 -0.00678 0.03732 D32 -3.03877 -0.00007 -0.00468 -0.00661 -0.01132 -3.05010 D33 3.14098 0.00008 0.01038 0.01318 0.02356 -3.11864 D34 -0.01846 0.00005 0.01066 0.01384 0.02453 0.00607 D35 -3.10080 0.00001 -0.00169 0.00058 -0.00111 -3.10191 D36 0.03145 -0.00005 -0.00910 -0.01262 -0.02177 0.00968 D37 0.02381 -0.00002 -0.00148 0.00113 -0.00032 0.02349 D38 -3.12712 -0.00008 -0.00888 -0.01208 -0.02099 3.13508 D39 3.12614 -0.00007 -0.00591 -0.01137 -0.01730 3.10883 D40 -0.04213 -0.00004 -0.00106 -0.00726 -0.00830 -0.05043 D41 -0.00576 -0.00000 0.00177 0.00232 0.00408 -0.00168 D42 3.10915 0.00002 0.00663 0.00643 0.01308 3.12224 D43 -0.02928 0.00006 0.00364 0.00618 0.00987 -0.01941 D44 3.04530 0.00007 0.00705 0.00836 0.01547 3.06077 D45 3.14103 0.00003 -0.00160 0.00172 0.00014 3.14117 D46 -0.06757 0.00004 0.00181 0.00391 0.00574 -0.06183 D47 1.44298 0.00007 0.01009 0.00356 0.01363 1.45661 D48 -0.64774 0.00030 0.00171 0.00633 0.00803 -0.63971 D49 -2.70055 -0.00014 0.00854 0.00014 0.00867 -2.69188 D50 -1.63098 0.00006 0.00665 0.00136 0.00797 -1.62301 D51 2.56148 0.00029 -0.00174 0.00412 0.00238 2.56385 D52 0.50867 -0.00015 0.00510 -0.00207 0.00301 0.51168 D53 -0.38701 0.00011 -0.01644 -0.02142 -0.03786 -0.42487 D54 2.78008 0.00006 -0.01333 -0.02003 -0.03340 2.74667 D55 0.81659 -0.00030 0.01157 0.01095 0.02245 0.83904 D56 -1.31435 -0.00012 0.00303 0.01164 0.01464 -1.29971 D57 2.94429 -0.00005 0.00374 0.01270 0.01639 2.96068 Item Value Threshold Converged? Maximum Force 0.000878 0.000450 NO RMS Force 0.000169 0.000300 YES Maximum Displacement 0.286173 0.001800 NO RMS Displacement 0.037865 0.001200 NO Predicted change in Energy=-2.201626D-04 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.955675 -5.051463 2.203281 2 6 0 7.286245 -4.585824 3.608630 3 8 0 6.618807 -6.402860 2.203178 4 7 0 2.745359 -2.098488 0.281136 5 6 0 3.817206 -2.826122 0.724400 6 7 0 4.991301 -2.316503 0.649652 7 6 0 6.058391 -3.039795 1.120482 8 8 0 7.184788 -2.628001 1.109305 9 7 0 5.803258 -4.303747 1.652106 10 6 0 4.552705 -4.821555 1.700213 11 6 0 3.509457 -4.122932 1.233173 12 1 0 7.778713 -4.855173 1.536837 13 1 0 8.147910 -5.133566 3.973080 14 1 0 7.510002 -3.527788 3.609301 15 6 0 1.440400 -2.314481 0.685591 16 1 0 2.932290 -1.188850 -0.086026 17 1 0 4.465135 -5.806861 2.110528 18 6 0 2.086405 -4.565785 1.116901 19 1 0 6.450295 -4.785371 4.269827 20 1 0 7.252179 -6.900116 1.707676 21 8 0 0.585483 -1.522812 0.504674 22 1 0 1.868106 -4.984815 0.140703 23 8 0 1.219439 -3.460470 1.324960 24 1 0 1.820451 -5.294619 1.866391 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.516939 0.000000 3 O 1.392751 2.392151 0.000000 4 N 5.490124 6.154568 6.101267 0.000000 5 C 4.121798 4.842476 4.777950 1.369230 0.000000 6 N 3.708441 4.378600 4.664818 2.286392 1.282108 7 C 2.454460 3.176273 3.577219 3.544961 2.285925 8 O 2.668790 3.176475 3.970699 4.546953 3.395293 9 N 1.480181 2.471195 2.318420 4.011668 2.643562 10 C 2.465806 3.342135 2.649957 3.563057 2.339856 11 C 3.698607 4.485665 3.975806 2.364021 1.426631 12 H 1.077064 2.146485 2.045660 5.874585 4.524449 13 H 2.135499 1.084118 2.661168 7.213162 5.885000 14 H 2.146103 1.081439 3.322266 5.985099 4.738327 15 C 6.341350 6.919326 6.770067 1.383169 2.431561 16 H 6.028957 6.644309 6.783565 0.998594 2.029908 17 H 2.604231 3.419635 2.236537 4.478430 3.350518 18 C 5.012573 5.766060 5.009741 2.687058 2.485187 19 H 2.144022 1.084349 2.629773 6.070877 4.831343 20 H 1.936765 2.995118 0.945488 6.738107 5.418792 21 O 7.477699 7.994798 7.943599 2.246427 3.491551 22 H 5.490176 6.445304 5.369713 3.019963 2.966420 23 O 6.017234 6.579339 6.211448 2.296301 2.740705 24 H 5.152004 5.780371 4.936177 3.685613 3.374115 6 7 8 9 10 6 N 0.000000 7 C 1.372412 0.000000 8 O 2.262675 1.199362 0.000000 9 N 2.369247 1.394737 2.238612 0.000000 10 C 2.751606 2.403715 3.476882 1.354371 0.000000 11 C 2.408225 2.771814 3.969662 2.338744 1.339615 12 H 3.873191 2.535440 2.344318 2.054210 3.230317 13 H 5.380074 4.109413 3.925133 3.401898 4.264830 14 H 4.070699 2.922247 2.676819 2.710295 3.750208 15 C 3.551084 4.694791 5.768520 4.891408 4.123267 16 H 2.460152 3.828077 4.645827 4.578881 4.360383 17 H 3.820159 3.342949 4.301640 2.063995 1.070913 18 C 3.703514 4.255036 5.454225 3.764320 2.547216 19 H 4.618403 3.622016 3.896489 2.739175 3.194538 20 H 5.219243 4.083137 4.314343 2.973818 3.406997 21 O 4.479084 5.712546 6.718471 6.022905 5.296213 22 H 4.139235 4.722453 5.895750 4.270084 3.108987 23 O 3.998956 4.861506 6.027014 4.672209 3.619949 24 H 4.517070 4.858060 6.038223 4.109805 2.777880 11 12 13 14 15 11 C 0.000000 12 H 4.342227 0.000000 13 H 5.481215 2.479735 0.000000 14 H 4.690900 2.475735 1.765725 0.000000 15 C 2.802025 6.881421 7.984079 6.845456 0.000000 16 H 3.268370 6.289946 7.696741 6.330997 2.021923 17 H 2.125721 3.494943 4.181538 4.087996 4.834893 18 C 1.494896 5.715108 6.724728 6.058457 2.381538 19 H 4.278857 3.039540 1.758180 1.772228 6.637100 20 H 4.684642 2.118541 3.009167 3.880110 7.473252 21 O 3.980070 7.994532 9.069602 7.849051 1.179132 22 H 2.151828 6.074642 7.358341 6.781231 2.758717 23 O 2.385679 6.709259 7.603650 6.692827 1.330755 24 H 2.150943 5.983528 6.670893 6.207288 3.227995 16 17 18 19 20 16 H 0.000000 17 H 5.338585 0.000000 18 C 3.683238 2.861105 0.000000 19 H 6.654681 3.105942 5.388199 0.000000 20 H 7.382234 3.020780 5.699416 3.417570 0.000000 21 O 2.442940 5.998628 3.447793 7.695238 8.649130 22 H 3.948827 3.361626 1.084529 6.171377 5.925541 23 O 3.175688 4.081324 1.420085 6.147313 6.954969 24 H 4.680326 2.704875 1.078733 5.241306 5.666258 21 22 23 24 21 O 0.000000 22 H 3.709859 0.000000 23 O 2.197564 2.036384 0.000000 24 H 4.195944 1.753924 2.004611 0.000000 Stoichiometry C8H9N3O4 Framework group C1[X(C8H9N3O4)] Deg. of freedom 66 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 3.018414 -0.280698 -0.074111 2 6 0 3.514979 -0.134955 1.351822 3 8 0 3.218042 -1.581431 -0.530178 4 7 0 -2.333077 0.933884 -0.240825 5 6 0 -0.991905 0.658261 -0.231963 6 7 0 -0.155058 1.629252 -0.257695 7 6 0 1.187620 1.347467 -0.221243 8 8 0 2.035104 2.196132 -0.218527 9 7 0 1.569348 0.007159 -0.165125 10 6 0 0.660370 -0.996844 -0.157555 11 6 0 -0.650956 -0.726717 -0.202526 12 1 0 3.500938 0.435913 -0.717311 13 1 0 4.581563 -0.327073 1.380113 14 1 0 3.323251 0.865707 1.714349 15 6 0 -3.307107 0.062957 0.212946 16 1 0 -2.600733 1.895573 -0.267394 17 1 0 1.055940 -1.991676 -0.131287 18 6 0 -1.784986 -1.696068 -0.297645 19 1 0 3.020767 -0.858530 1.990577 20 1 0 3.833635 -1.587978 -1.247777 21 8 0 -4.408950 0.414358 0.442755 22 1 0 -2.084504 -1.873886 -1.324715 23 8 0 -2.909857 -1.192120 0.407581 24 1 0 -1.552644 -2.646054 0.157556 --------------------------------------------------------------------- Rotational constants (GHZ): 1.4571335 0.3636773 0.3093749 Standard basis: 6-31G(d) (6D, 7F) There are 243 symmetry adapted cartesian basis functions of A symmetry. There are 243 symmetry adapted basis functions of A symmetry. 243 basis functions, 456 primitive gaussians, 243 cartesian basis functions 55 alpha electrons 55 beta electrons nuclear repulsion energy 1027.8809946425 Hartrees. NAtoms= 24 NActive= 24 NUniq= 24 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. One-electron integrals computed using PRISM. NBasis= 243 RedAO= T EigKep= 8.41D-04 NBF= 243 NBsUse= 243 1.00D-06 EigRej= -1.00D+00 NBFU= 243 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 -0.000000 0.000000 Rot= 0.999994 0.003381 -0.000265 0.000128 Ang= 0.39 deg. ExpMin= 1.61D-01 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn= 5 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 5 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 5 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -771.024760981 A.U. after 13 cycles NFock= 13 Conv=0.73D-08 -V/T= 2.0016 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 -0.001933414 0.002524737 -0.001395853 2 6 -0.000582267 -0.001188323 -0.000895514 3 8 0.001580633 -0.001998965 0.002601285 4 7 -0.000712637 0.001212031 -0.000662359 5 6 0.001563721 -0.001175469 -0.000470267 6 7 0.000551750 -0.001571258 0.001123422 7 6 0.001524270 0.007936679 -0.003172968 8 8 -0.000447459 -0.001151090 -0.000213504 9 7 -0.000142783 -0.006959727 0.002542790 10 6 0.001508462 0.001837357 0.000571765 11 6 -0.000856214 -0.000992330 -0.000386224 12 1 0.000152194 0.000475895 0.000151987 13 1 0.000260573 0.000402998 0.000346529 14 1 0.000057565 -0.000189089 0.000550586 15 6 0.000724106 -0.004123487 0.002561258 16 1 -0.000144234 -0.000109378 0.000237572 17 1 0.000515411 -0.000016816 -0.000216502 18 6 -0.000032203 0.000154629 0.001430260 19 1 -0.000124944 0.000310661 0.000458223 20 1 -0.000752832 -0.000112401 -0.001663041 21 8 -0.002323533 0.003395186 -0.001041011 22 1 0.000330079 0.000390372 -0.000413015 23 8 -0.000377982 0.000794848 -0.002160382 24 1 -0.000338261 0.000152940 0.000114963 ------------------------------------------------------------------- Cartesian Forces: Max 0.007936679 RMS 0.001800167 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.005805808 RMS 0.000899881 Search for a local minimum. Step number 26 out of a maximum of 134 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swapping is turned off. Update second derivatives using D2CorX and points 23 24 25 26 DE= -3.54D-04 DEPred=-2.20D-04 R= 1.61D+00 TightC=F SS= 1.41D+00 RLast= 4.98D-01 DXNew= 1.3961D+00 1.4948D+00 Trust test= 1.61D+00 RLast= 4.98D-01 DXMaxT set to 1.40D+00 ITU= 1 1 1 0 -1 1 1 0 0 0 0 1 0 0 0 0 1 1 1 1 ITU= 1 1 -1 1 1 0 Eigenvalues --- 0.00001 0.00267 0.00450 0.00574 0.01350 Eigenvalues --- 0.01646 0.01771 0.01848 0.01985 0.02182 Eigenvalues --- 0.02270 0.02558 0.02953 0.05591 0.05850 Eigenvalues --- 0.05879 0.06962 0.07657 0.07785 0.08163 Eigenvalues --- 0.08661 0.09412 0.12633 0.12817 0.14762 Eigenvalues --- 0.15842 0.16105 0.16520 0.16601 0.16832 Eigenvalues --- 0.19009 0.20596 0.21869 0.23266 0.24250 Eigenvalues --- 0.24406 0.24745 0.25603 0.26981 0.28276 Eigenvalues --- 0.30344 0.33533 0.33719 0.33821 0.33868 Eigenvalues --- 0.33945 0.34178 0.34619 0.35881 0.36767 Eigenvalues --- 0.39057 0.40936 0.43415 0.44476 0.45497 Eigenvalues --- 0.47809 0.48342 0.49035 0.51221 0.52186 Eigenvalues --- 0.56515 0.59603 0.72045 0.83946 0.95859 Eigenvalues --- 8.06188 Eigenvalue 1 is 1.35D-05 Eigenvector: D12 D10 D11 D15 D13 1 -0.56413 -0.55287 -0.54799 -0.09419 -0.08372 D17 D53 D54 D16 D55 1 -0.08082 -0.07676 -0.06757 -0.05360 0.04896 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 26 25 24 23 RFO step: Lambda=-6.77256770D-04. DidBck=F Rises=F RFO-DIIS coefs: 2.86844 0.46398 -2.00000 -0.33243 Iteration 1 RMS(Cart)= 0.06401309 RMS(Int)= 0.11571820 Iteration 2 RMS(Cart)= 0.02878266 RMS(Int)= 0.08460379 Iteration 3 RMS(Cart)= 0.02890091 RMS(Int)= 0.05352938 Iteration 4 RMS(Cart)= 0.02911155 RMS(Int)= 0.02253396 Iteration 5 RMS(Cart)= 0.02098503 RMS(Int)= 0.00161399 Iteration 6 RMS(Cart)= 0.00145883 RMS(Int)= 0.00060557 Iteration 7 RMS(Cart)= 0.00000486 RMS(Int)= 0.00060556 Iteration 8 RMS(Cart)= 0.00000000 RMS(Int)= 0.00060556 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.86660 0.00014 -0.00470 -0.00303 -0.00773 2.85887 R2 2.63192 0.00185 -0.02242 -0.01247 -0.03489 2.59703 R3 2.79714 -0.00110 0.03418 0.01899 0.05317 2.85031 R4 2.03536 0.00011 -0.00079 -0.00067 -0.00146 2.03390 R5 2.04869 0.00012 -0.00340 -0.00186 -0.00525 2.04343 R6 2.04362 -0.00017 -0.00233 -0.00104 -0.00337 2.04026 R7 2.04912 0.00032 -0.00193 -0.00104 -0.00296 2.04616 R8 1.78671 0.00043 -0.00337 -0.00213 -0.00550 1.78121 R9 2.58747 0.00194 -0.00740 -0.00362 -0.01075 2.57672 R10 2.61381 0.00088 -0.00620 -0.00378 -0.01025 2.60356 R11 1.88707 -0.00021 0.00112 0.00059 0.00172 1.88879 R12 2.42283 0.00035 -0.00318 -0.00161 -0.00492 2.41791 R13 2.69594 0.00021 0.00331 0.00322 0.00666 2.70260 R14 2.59348 -0.00136 0.01764 0.00960 0.02714 2.62062 R15 2.26646 -0.00081 0.00715 0.00356 0.01071 2.27718 R16 2.63567 0.00581 -0.05218 -0.02708 -0.07918 2.55649 R17 2.55939 -0.00082 0.01073 0.00589 0.01676 2.57615 R18 2.53150 0.00152 -0.00797 -0.00341 -0.01131 2.52020 R19 2.02373 -0.00011 -0.00086 -0.00021 -0.00107 2.02267 R20 2.82494 0.00089 -0.00299 0.00017 -0.00291 2.82203 R21 2.22824 0.00412 -0.01212 -0.00631 -0.01843 2.20981 R22 2.51476 -0.00133 0.01430 0.00652 0.02039 2.53515 R23 2.04946 0.00015 -0.00109 -0.00112 -0.00221 2.04725 R24 2.68357 0.00061 -0.00894 -0.00509 -0.01374 2.66983 R25 2.03851 0.00006 0.00108 0.00115 0.00223 2.04074 A1 1.92903 -0.00129 -0.01605 -0.00967 -0.02566 1.90337 A2 1.93861 0.00027 -0.00620 -0.00371 -0.00970 1.92892 A3 1.92920 0.00047 -0.00190 -0.00158 -0.00353 1.92566 A4 1.87739 0.00125 0.01895 0.01271 0.03148 1.90887 A5 1.94080 0.00015 0.00131 0.00113 0.00193 1.94273 A6 1.84676 -0.00079 0.00548 0.00203 0.00731 1.85407 A7 1.90663 0.00054 -0.01775 -0.00911 -0.02718 1.87945 A8 1.92408 0.00054 -0.00737 -0.00284 -0.01026 1.91382 A9 1.91816 0.00040 -0.01023 -0.00533 -0.01590 1.90227 A10 1.90673 -0.00062 0.02325 0.01257 0.03579 1.94252 A11 1.89101 -0.00030 0.00016 -0.00086 -0.00136 1.88966 A12 1.91683 -0.00056 0.01240 0.00565 0.01798 1.93482 A13 1.92658 0.00027 0.01310 0.00858 0.02168 1.94826 A14 2.16627 0.00063 -0.00513 -0.00103 -0.00782 2.15845 A15 2.04493 -0.00021 0.00516 0.00272 0.00803 2.05296 A16 2.01127 -0.00034 0.00778 0.00478 0.01318 2.02445 A17 2.07917 -0.00028 0.00578 0.00238 0.00881 2.08798 A18 2.01490 -0.00020 -0.00022 0.00063 -0.00047 2.01443 A19 2.18910 0.00047 -0.00557 -0.00309 -0.00913 2.17996 A20 2.07435 0.00108 -0.01290 -0.00597 -0.02009 2.05426 A21 2.14847 0.00138 -0.02320 -0.01140 -0.03424 2.11423 A22 2.05572 -0.00106 0.01614 0.00778 0.02321 2.07892 A23 2.07887 -0.00031 0.00709 0.00364 0.01108 2.08995 A24 2.04575 -0.00039 0.00219 0.00113 0.00258 2.04833 A25 2.10892 0.00109 -0.00675 -0.00375 -0.01123 2.09770 A26 2.12812 -0.00070 0.00385 0.00191 0.00430 2.13242 A27 2.10285 0.00081 -0.00929 -0.00403 -0.01397 2.08888 A28 2.02737 -0.00089 0.00907 0.00449 0.01358 2.04095 A29 2.15282 0.00007 0.00074 -0.00033 0.00044 2.15327 A30 2.01573 -0.00060 0.00900 0.00367 0.01268 2.02841 A31 2.03409 -0.00086 0.00766 0.00573 0.01219 2.04628 A32 2.23187 0.00146 -0.01595 -0.00926 -0.02415 2.20772 A33 2.13451 -0.00089 0.01338 0.00587 0.02031 2.15482 A34 2.01709 -0.00042 -0.00247 0.00012 -0.00465 2.01243 A35 2.13118 0.00132 -0.01120 -0.00610 -0.01619 2.11499 A36 1.95636 -0.00089 0.01946 0.00759 0.02711 1.98347 A37 1.91685 0.00118 -0.01341 -0.00416 -0.01931 1.89754 A38 1.96147 0.00029 -0.01370 -0.00588 -0.01875 1.94271 A39 1.88570 -0.00050 0.01190 0.00252 0.01523 1.90093 A40 1.89095 0.00035 -0.01173 -0.00762 -0.01937 1.87158 A41 1.84790 -0.00044 0.00789 0.00783 0.01565 1.86354 A42 2.09268 0.00034 -0.01194 -0.00155 -0.01581 2.07687 D1 1.08413 -0.00031 -0.00659 -0.00423 -0.01065 1.07348 D2 -3.10367 -0.00041 0.00633 0.00377 0.01008 -3.09360 D3 -0.98840 -0.00051 0.01034 0.00550 0.01567 -0.97274 D4 -3.11658 0.00058 0.00263 0.00296 0.00582 -3.11076 D5 -1.02120 0.00048 0.01555 0.01096 0.02655 -0.99465 D6 1.09407 0.00039 0.01956 0.01270 0.03214 1.12621 D7 -1.07210 0.00007 0.00438 0.00218 0.00669 -1.06541 D8 1.02328 -0.00003 0.01730 0.01018 0.02743 1.05070 D9 3.13855 -0.00012 0.02131 0.01192 0.03302 -3.11162 D10 -2.01701 -0.00081 -0.59102 -0.34758 -0.93879 -2.95580 D11 2.14706 -0.00115 -0.58588 -0.34527 -0.93091 1.21614 D12 0.13251 -0.00101 -0.60399 -0.35567 -0.95971 -0.82720 D13 1.41428 0.00064 -0.10073 -0.04916 -0.14975 1.26453 D14 -1.69765 0.00057 -0.05448 -0.02264 -0.07717 -1.77483 D15 -2.75578 0.00002 -0.11200 -0.05514 -0.16722 -2.92300 D16 0.41547 -0.00005 -0.06575 -0.02862 -0.09464 0.32082 D17 -0.67992 0.00040 -0.09838 -0.04645 -0.14458 -0.82450 D18 2.49133 0.00033 -0.05213 -0.01992 -0.07200 2.41933 D19 -2.75594 -0.00023 -0.00128 -0.01095 -0.01343 -2.76937 D20 0.39247 -0.00041 0.02156 0.00029 0.02099 0.41346 D21 0.00000 -0.00007 0.02396 0.00987 0.03296 0.03296 D22 -3.13478 -0.00026 0.04680 0.02110 0.06738 -3.06739 D23 2.87100 0.00031 0.03692 0.02561 0.06235 2.93335 D24 -0.24057 -0.00008 0.04893 0.03005 0.07859 -0.16199 D25 0.10840 0.00013 0.01258 0.00553 0.01757 0.12597 D26 -3.00317 -0.00025 0.02459 0.00997 0.03381 -2.96936 D27 3.11879 -0.00006 -0.00123 0.00025 0.00029 3.11908 D28 -0.03035 0.00015 -0.02656 -0.01219 -0.03757 -0.06792 D29 -3.11158 0.00022 -0.03990 -0.02227 -0.06178 3.10982 D30 0.08419 0.00018 -0.05139 -0.02453 -0.07619 0.00801 D31 0.03732 0.00003 -0.01537 -0.01025 -0.02538 0.01194 D32 -3.05010 -0.00002 -0.02686 -0.01251 -0.03979 -3.08988 D33 -3.11864 -0.00053 0.05560 0.02960 0.08528 -3.03336 D34 0.00607 -0.00017 0.05761 0.03103 0.08901 0.09507 D35 -3.10191 -0.00010 -0.00357 -0.00220 -0.00581 -3.10772 D36 0.00968 0.00000 -0.05040 -0.02914 -0.08022 -0.07054 D37 0.02349 0.00026 -0.00197 -0.00098 -0.00259 0.02090 D38 3.13508 0.00036 -0.04880 -0.02792 -0.07700 3.05808 D39 3.10883 0.00027 -0.03971 -0.02116 -0.06113 3.04771 D40 -0.05043 -0.00005 -0.01642 -0.01288 -0.02895 -0.07938 D41 -0.00168 0.00019 0.00876 0.00665 0.01509 0.01341 D42 3.12224 -0.00013 0.03206 0.01493 0.04727 -3.11368 D43 -0.01941 -0.00019 0.02337 0.01256 0.03656 0.01715 D44 3.06077 -0.00024 0.03752 0.01574 0.05399 3.11476 D45 3.14117 0.00016 -0.00178 0.00362 0.00208 -3.13993 D46 -0.06183 0.00012 0.01236 0.00680 0.01951 -0.04232 D47 1.45661 -0.00002 0.03634 0.02531 0.06129 1.51791 D48 -0.63971 0.00039 0.01775 0.02001 0.03761 -0.60210 D49 -2.69188 -0.00001 0.02539 0.01661 0.04183 -2.65005 D50 -1.62301 0.00001 0.02204 0.02216 0.04371 -1.57930 D51 2.56385 0.00042 0.00345 0.01686 0.02003 2.58388 D52 0.51168 0.00003 0.01109 0.01347 0.02425 0.53593 D53 -0.42487 0.00089 -0.08865 -0.03668 -0.12535 -0.55022 D54 2.74667 0.00055 -0.07703 -0.03247 -0.11020 2.63647 D55 0.83904 -0.00048 0.05382 0.01082 0.06368 0.90271 D56 -1.29971 0.00020 0.03062 0.00246 0.03269 -1.26702 D57 2.96068 0.00026 0.03459 0.00614 0.03978 3.00046 Item Value Threshold Converged? Maximum Force 0.005806 0.000450 NO RMS Force 0.000900 0.000300 NO Maximum Displacement 1.226756 0.001800 NO RMS Displacement 0.137072 0.001200 NO Predicted change in Energy=-8.466783D-04 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.992607 -5.065001 2.223479 2 6 0 7.331026 -4.531496 3.598090 3 8 0 6.663604 -6.395306 2.326994 4 7 0 2.770463 -2.102373 0.285045 5 6 0 3.837729 -2.810912 0.752123 6 7 0 5.007799 -2.295056 0.707889 7 6 0 6.060325 -3.039681 1.218635 8 8 0 7.167370 -2.572579 1.310107 9 7 0 5.829972 -4.306565 1.633501 10 6 0 4.580550 -4.851808 1.642176 11 6 0 3.542374 -4.130843 1.216763 12 1 0 7.820043 -4.917882 1.551089 13 1 0 8.185984 -5.083650 3.963419 14 1 0 7.544247 -3.474973 3.535191 15 6 0 1.466795 -2.353322 0.653365 16 1 0 2.948828 -1.200837 -0.107924 17 1 0 4.490642 -5.852240 2.011903 18 6 0 2.122070 -4.584068 1.130552 19 1 0 6.497256 -4.717571 4.263386 20 1 0 6.603008 -6.805085 1.480318 21 8 0 0.579199 -1.629742 0.416605 22 1 0 1.864631 -5.027391 0.176162 23 8 0 1.277468 -3.475704 1.363408 24 1 0 1.896015 -5.313914 1.893726 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.512849 0.000000 3 O 1.374289 2.352643 0.000000 4 N 5.510099 6.138049 6.144540 0.000000 5 C 4.147175 4.823181 4.828423 1.363541 0.000000 6 N 3.729487 4.330394 4.709060 2.285081 1.279503 7 C 2.445564 3.082532 3.585056 3.545889 2.282521 8 O 2.660255 3.016456 3.987616 4.539233 3.384473 9 N 1.508317 2.482614 2.353447 4.004671 2.642506 10 C 2.490258 3.390180 2.681506 3.560563 2.347176 11 C 3.713520 4.492786 4.012789 2.361914 1.430155 12 H 1.076291 2.139777 2.030310 5.918464 4.575642 13 H 2.109950 1.081338 2.591519 7.193491 5.863880 14 H 2.133796 1.079658 3.280795 5.936033 4.682384 15 C 6.352405 6.914120 6.793047 1.377746 2.416706 16 H 6.059649 6.635623 6.834537 0.999502 2.030311 17 H 2.631414 3.511145 2.261850 4.472422 3.356043 18 C 5.014770 5.764090 5.033645 2.700761 2.496153 19 H 2.127745 1.082782 2.567505 6.046109 4.799729 20 H 1.931830 3.191265 0.942576 6.183250 4.912276 21 O 7.496506 8.008071 7.961166 2.245512 3.482205 22 H 5.521690 6.468152 5.433913 3.064004 3.022851 23 O 5.994030 6.538660 6.201857 2.297376 2.714876 24 H 5.113311 5.749468 4.907855 3.696825 3.367274 6 7 8 9 10 6 N 0.000000 7 C 1.386773 0.000000 8 O 2.259078 1.205031 0.000000 9 N 2.361968 1.352838 2.213577 0.000000 10 C 2.755434 2.377588 3.463639 1.363239 0.000000 11 C 2.403443 2.744215 3.946833 2.331877 1.333632 12 H 3.936867 2.595144 2.446324 2.083478 3.241447 13 H 5.336253 4.028657 3.792508 3.403406 4.294307 14 H 3.977362 2.785307 2.430504 2.691971 3.776596 15 C 3.541903 4.678796 5.742468 4.879870 4.112864 16 H 2.470268 3.850002 4.657100 4.580294 4.365198 17 H 3.823803 3.317178 4.291104 2.079929 1.070349 18 C 3.707513 4.231163 5.434462 3.752133 2.525385 19 H 4.552869 3.503817 3.711051 2.744174 3.250003 20 H 4.845792 3.813299 4.273357 2.619857 2.816350 21 O 4.487760 5.716111 6.715004 6.018042 5.281528 22 H 4.198558 4.758318 5.952392 4.285715 3.091317 23 O 3.967241 4.804872 5.958978 4.635577 3.589112 24 H 4.494765 4.792636 5.970152 4.069212 2.735608 11 12 13 14 15 11 C 0.000000 12 H 4.362299 0.000000 13 H 5.478601 2.445553 0.000000 14 H 4.671216 2.468747 1.784110 0.000000 15 C 2.790166 6.909894 7.972367 6.818976 0.000000 16 H 3.269867 6.348030 7.686343 6.289821 2.025883 17 H 2.120063 3.488593 4.249082 4.158883 4.819928 18 C 1.493355 5.723214 6.711614 6.034267 2.373462 19 H 4.284563 3.024309 1.753795 1.780592 6.627779 20 H 4.072899 2.246712 3.411003 4.024683 6.847096 21 O 3.959314 8.032978 9.075932 7.851264 1.169380 22 H 2.168288 6.113047 7.369259 6.778725 2.745295 23 O 2.362311 6.702267 7.554677 6.632432 1.341546 24 H 2.137390 5.947129 6.625735 6.162681 3.238492 16 17 18 19 20 16 H 0.000000 17 H 5.339139 0.000000 18 C 3.696431 2.827574 0.000000 19 H 6.638306 3.222289 5.382817 0.000000 20 H 6.876273 2.377517 5.013388 3.480569 0.000000 21 O 2.464596 5.972759 3.408550 7.704272 8.012611 22 H 3.987318 3.308513 1.083361 6.185677 5.226207 23 O 3.183281 4.048822 1.412815 6.099040 6.281705 24 H 4.693870 2.652518 1.079912 5.209830 4.954824 21 22 23 24 21 O 0.000000 22 H 3.640627 0.000000 23 O 2.188970 2.040110 0.000000 24 H 4.181987 1.741582 2.010685 0.000000 Stoichiometry C8H9N3O4 Framework group C1[X(C8H9N3O4)] Deg. of freedom 66 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 3.033608 -0.302968 -0.120412 2 6 0 3.528762 -0.038102 1.284359 3 8 0 3.246196 -1.625124 -0.429248 4 7 0 -2.331009 0.947713 -0.254113 5 6 0 -0.995824 0.672339 -0.227747 6 7 0 -0.150925 1.632190 -0.272028 7 6 0 1.196288 1.308256 -0.215270 8 8 0 2.040520 2.164890 -0.140762 9 7 0 1.561194 0.005633 -0.228960 10 6 0 0.646194 -1.004820 -0.215500 11 6 0 -0.655868 -0.716612 -0.203464 12 1 0 3.529572 0.346875 -0.820502 13 1 0 4.590338 -0.243081 1.302575 14 1 0 3.322518 0.986552 1.554925 15 6 0 -3.299062 0.079834 0.201787 16 1 0 -2.605187 1.905277 -0.337193 17 1 0 1.028081 -2.004625 -0.201413 18 6 0 -1.782599 -1.696565 -0.220195 19 1 0 3.039126 -0.722721 1.965512 20 1 0 3.101975 -1.795499 -1.345011 21 8 0 -4.415127 0.387631 0.366440 22 1 0 -2.120278 -1.953409 -1.217027 23 8 0 -2.866741 -1.153450 0.504863 24 1 0 -1.508751 -2.617881 0.272140 --------------------------------------------------------------------- Rotational constants (GHZ): 1.4797651 0.3655875 0.3102660 Standard basis: 6-31G(d) (6D, 7F) There are 243 symmetry adapted cartesian basis functions of A symmetry. There are 243 symmetry adapted basis functions of A symmetry. 243 basis functions, 456 primitive gaussians, 243 cartesian basis functions 55 alpha electrons 55 beta electrons nuclear repulsion energy 1031.0400969780 Hartrees. NAtoms= 24 NActive= 24 NUniq= 24 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. One-electron integrals computed using PRISM. NBasis= 243 RedAO= T EigKep= 8.43D-04 NBF= 243 NBsUse= 243 1.00D-06 EigRej= -1.00D+00 NBFU= 243 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 0.000000 0.000000 Rot= 0.999937 0.011041 -0.001595 0.000814 Ang= 1.28 deg. ExpMin= 1.61D-01 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn= 5 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 5 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 5 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -771.020164816 A.U. after 16 cycles NFock= 16 Conv=0.32D-08 -V/T= 2.0014 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 -0.004689385 0.013535684 -0.005693205 2 6 -0.002846488 -0.006495811 -0.002631722 3 8 -0.004514049 -0.005679883 0.008807376 4 7 -0.003474847 0.004422508 -0.002961772 5 6 0.008008704 -0.004015091 -0.002500107 6 7 0.001282556 -0.008209313 0.005770130 7 6 0.011248869 0.044166014 -0.014889720 8 8 -0.003294188 -0.004168218 -0.002500556 9 7 -0.001991161 -0.043135536 0.014934569 10 6 0.004997943 0.010090698 0.002276639 11 6 -0.003491459 -0.006474291 -0.001095087 12 1 -0.000044561 0.002045275 -0.002565688 13 1 0.002559883 0.002458211 0.002559108 14 1 0.001599724 -0.001733507 0.002624894 15 6 0.005919780 -0.018225108 0.012002386 16 1 -0.000587309 -0.000732258 0.000966911 17 1 0.001322743 0.000234633 0.000607828 18 6 0.000876370 -0.001733815 0.003964934 19 1 -0.000656599 0.001638392 0.002195780 20 1 0.003933055 -0.001961578 -0.007216126 21 8 -0.014080777 0.017131883 -0.006689380 22 1 0.001470280 0.002065472 -0.002947123 23 8 -0.001704247 0.003025185 -0.005858992 24 1 -0.001844835 0.001750452 0.000838923 ------------------------------------------------------------------- Cartesian Forces: Max 0.044166014 RMS 0.009519165 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.034948102 RMS 0.004758536 Search for a local minimum. Step number 27 out of a maximum of 134 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Update second derivatives using D2CorX and points 23 24 25 27 26 DE= 4.60D-03 DEPred=-8.47D-04 R=-5.43D+00 Trust test=-5.43D+00 RLast= 1.70D+00 DXMaxT set to 6.98D-01 ITU= -1 1 1 1 0 -1 1 1 0 0 0 0 1 0 0 0 0 1 1 1 ITU= 1 1 1 -1 1 1 0 Use linear search instead of GDIIS. Eigenvalues --- 0.00193 0.00272 0.00438 0.00669 0.01226 Eigenvalues --- 0.01637 0.01699 0.01855 0.01982 0.02093 Eigenvalues --- 0.02187 0.02566 0.02968 0.05018 0.05735 Eigenvalues --- 0.06093 0.06294 0.06954 0.07703 0.07808 Eigenvalues --- 0.08642 0.09104 0.12461 0.12661 0.14836 Eigenvalues --- 0.15775 0.16060 0.16384 0.16525 0.16895 Eigenvalues --- 0.18964 0.20364 0.21738 0.22856 0.23547 Eigenvalues --- 0.24405 0.24583 0.24980 0.26956 0.27879 Eigenvalues --- 0.30376 0.32958 0.33591 0.33783 0.33824 Eigenvalues --- 0.33865 0.34152 0.34202 0.35082 0.37066 Eigenvalues --- 0.39087 0.40945 0.43379 0.44351 0.45523 Eigenvalues --- 0.47678 0.48571 0.48982 0.50677 0.51735 Eigenvalues --- 0.55882 0.59596 0.68203 0.74531 0.89956 Eigenvalues --- 1.32679 RFO step: Lambda=-1.54250081D-03 EMin= 1.93227769D-03 Quartic linear search produced a step of -0.77561. Iteration 1 RMS(Cart)= 0.08615455 RMS(Int)= 0.05724708 Iteration 2 RMS(Cart)= 0.02956827 RMS(Int)= 0.02599304 Iteration 3 RMS(Cart)= 0.02414905 RMS(Int)= 0.00202613 Iteration 4 RMS(Cart)= 0.00193504 RMS(Int)= 0.00041287 Iteration 5 RMS(Cart)= 0.00000804 RMS(Int)= 0.00041283 Iteration 6 RMS(Cart)= 0.00000000 RMS(Int)= 0.00041283 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.85887 0.00300 0.00599 -0.01128 -0.00529 2.85358 R2 2.59703 0.00766 0.02706 0.00090 0.02796 2.62499 R3 2.85031 -0.00626 -0.04124 0.00039 -0.04084 2.80946 R4 2.03390 0.00185 0.00113 -0.00022 0.00091 2.03480 R5 2.04343 0.00163 0.00407 0.00309 0.00716 2.05060 R6 2.04026 -0.00153 0.00261 0.00544 0.00805 2.04831 R7 2.04616 0.00157 0.00230 0.00170 0.00400 2.05016 R8 1.78121 0.00708 0.00427 0.00715 0.01142 1.79263 R9 2.57672 0.00889 0.00834 0.01033 0.01849 2.59521 R10 2.60356 0.00418 0.00795 -0.00179 0.00600 2.60956 R11 1.88879 -0.00115 -0.00133 -0.00032 -0.00166 1.88713 R12 2.41791 0.00130 0.00382 -0.00721 -0.00326 2.41465 R13 2.70260 0.00140 -0.00517 0.01921 0.01415 2.71675 R14 2.62062 -0.00594 -0.02105 -0.00423 -0.02539 2.59523 R15 2.27718 -0.00483 -0.00831 -0.00603 -0.01434 2.26284 R16 2.55649 0.03495 0.06141 0.02698 0.08816 2.64465 R17 2.57615 -0.00201 -0.01300 -0.00616 -0.01928 2.55687 R18 2.52020 0.00531 0.00877 0.00093 0.00980 2.53000 R19 2.02267 -0.00012 0.00083 0.00342 0.00424 2.02691 R20 2.82203 0.00409 0.00226 0.00445 0.00676 2.82880 R21 2.20981 0.02264 0.01429 0.00802 0.02231 2.23212 R22 2.53515 -0.00417 -0.01582 -0.00660 -0.02233 2.51283 R23 2.04725 0.00140 0.00171 -0.00429 -0.00257 2.04468 R24 2.66983 0.00384 0.01065 0.00972 0.02069 2.69052 R25 2.04074 -0.00020 -0.00173 0.00291 0.00119 2.04192 A1 1.90337 -0.00372 0.01990 0.00835 0.02803 1.93140 A2 1.92892 0.00340 0.00752 -0.01467 -0.00713 1.92178 A3 1.92566 0.00163 0.00274 0.00731 0.00976 1.93542 A4 1.90887 0.00110 -0.02442 0.00538 -0.01888 1.89000 A5 1.94273 0.00027 -0.00150 0.00777 0.00598 1.94871 A6 1.85407 -0.00253 -0.00567 -0.01491 -0.02046 1.83361 A7 1.87945 0.00408 0.02108 0.00922 0.03013 1.90957 A8 1.91382 0.00246 0.00796 0.00335 0.01128 1.92510 A9 1.90227 0.00211 0.01233 0.00976 0.02191 1.92417 A10 1.94252 -0.00422 -0.02776 -0.01041 -0.03818 1.90433 A11 1.88966 -0.00174 0.00105 -0.00116 -0.00045 1.88921 A12 1.93482 -0.00243 -0.01395 -0.00987 -0.02385 1.91097 A13 1.94826 -0.00421 -0.01682 -0.00250 -0.01931 1.92894 A14 2.15845 0.00339 0.00606 -0.00954 -0.00374 2.15470 A15 2.05296 -0.00129 -0.00623 -0.00392 -0.01100 2.04196 A16 2.02445 -0.00190 -0.01022 0.00236 -0.00845 2.01600 A17 2.08798 -0.00152 -0.00683 -0.00692 -0.01448 2.07350 A18 2.01443 -0.00098 0.00036 0.00233 0.00249 2.01692 A19 2.17996 0.00255 0.00708 0.00582 0.01266 2.19263 A20 2.05426 0.00668 0.01558 0.00301 0.01864 2.07290 A21 2.11423 0.00530 0.02656 0.00671 0.03343 2.14766 A22 2.07892 -0.00713 -0.01800 -0.00751 -0.02584 2.05308 A23 2.08995 0.00185 -0.00859 0.00078 -0.00765 2.08230 A24 2.04833 0.00134 -0.00200 -0.00271 -0.00450 2.04383 A25 2.09770 0.00341 0.00871 -0.00272 0.00618 2.10388 A26 2.13242 -0.00468 -0.00333 0.00595 0.00233 2.13475 A27 2.08888 0.00516 0.01084 -0.00049 0.01047 2.09935 A28 2.04095 -0.00398 -0.01053 -0.00092 -0.01133 2.02961 A29 2.15327 -0.00116 -0.00034 0.00100 0.00078 2.15404 A30 2.02841 -0.00250 -0.00984 -0.00522 -0.01502 2.01339 A31 2.04628 -0.00384 -0.00945 -0.01519 -0.02417 2.02210 A32 2.20772 0.00634 0.01873 0.02047 0.03875 2.24647 A33 2.15482 -0.00412 -0.01575 -0.01698 -0.03302 2.12180 A34 2.01243 -0.00236 0.00361 0.00805 0.01204 2.02447 A35 2.11499 0.00654 0.01256 0.00946 0.02174 2.13673 A36 1.98347 -0.00380 -0.02102 -0.03645 -0.05835 1.92512 A37 1.89754 0.00521 0.01498 -0.00219 0.01178 1.90932 A38 1.94271 0.00114 0.01454 0.03572 0.04920 1.99192 A39 1.90093 -0.00199 -0.01181 -0.04773 -0.06121 1.83972 A40 1.87158 0.00214 0.01503 0.01499 0.03105 1.90262 A41 1.86354 -0.00284 -0.01214 0.03872 0.02509 1.88863 A42 2.07687 0.00112 0.01227 -0.01083 0.00221 2.07908 D1 1.07348 0.00002 0.00826 0.03024 0.03872 1.11219 D2 -3.09360 -0.00117 -0.00782 0.02522 0.01752 -3.07608 D3 -0.97274 -0.00130 -0.01215 0.02131 0.00919 -0.96354 D4 -3.11076 0.00111 -0.00451 0.03311 0.02865 -3.08211 D5 -0.99465 -0.00007 -0.02059 0.02808 0.00746 -0.98719 D6 1.12621 -0.00021 -0.02493 0.02417 -0.00087 1.12534 D7 -1.06541 0.00108 -0.00519 0.01032 0.00512 -1.06029 D8 1.05070 -0.00011 -0.02127 0.00529 -0.01607 1.03463 D9 -3.11162 -0.00024 -0.02561 0.00138 -0.02440 -3.13602 D10 -2.95580 0.00313 0.72813 -0.17989 0.54820 -2.40760 D11 1.21614 0.00058 0.72202 -0.17037 0.55156 1.76770 D12 -0.82720 0.00284 0.74436 -0.16002 0.58448 -0.24272 D13 1.26453 0.00431 0.11615 0.02974 0.14577 1.41030 D14 -1.77483 0.00391 0.05986 0.02379 0.08376 -1.69107 D15 -2.92300 0.00253 0.12970 0.03434 0.16397 -2.75904 D16 0.32082 0.00213 0.07341 0.02839 0.10196 0.42278 D17 -0.82450 0.00199 0.11214 0.03791 0.14990 -0.67460 D18 2.41933 0.00159 0.05585 0.03196 0.08789 2.50721 D19 -2.76937 -0.00010 0.01042 0.04542 0.05521 -2.71416 D20 0.41346 -0.00122 -0.01628 0.01406 -0.00260 0.41086 D21 0.03296 0.00018 -0.02557 0.00737 -0.01857 0.01439 D22 -3.06739 -0.00094 -0.05226 -0.02399 -0.07638 3.13941 D23 2.93335 0.00108 -0.04836 -0.00405 -0.05269 2.88066 D24 -0.16199 -0.00058 -0.06095 -0.01757 -0.07894 -0.24092 D25 0.12597 0.00072 -0.01363 0.03450 0.02057 0.14654 D26 -2.96936 -0.00095 -0.02622 0.02099 -0.00568 -2.97504 D27 3.11908 -0.00077 -0.00023 -0.01505 -0.01473 3.10435 D28 -0.06792 0.00037 0.02914 0.01936 0.04909 -0.01884 D29 3.10982 0.00134 0.04792 0.01409 0.06242 -3.11094 D30 0.00801 0.00119 0.05909 0.01195 0.07121 0.07921 D31 0.01194 0.00027 0.01968 -0.01881 0.00084 0.01278 D32 -3.08988 0.00011 0.03086 -0.02094 0.00963 -3.08026 D33 -3.03336 -0.00268 -0.06614 -0.01997 -0.08602 -3.11937 D34 0.09507 -0.00112 -0.06903 -0.02223 -0.09095 0.00412 D35 -3.10772 -0.00046 0.00451 0.01924 0.02344 -3.08428 D36 -0.07054 0.00046 0.06222 0.02476 0.08686 0.01632 D37 0.02090 0.00110 0.00201 0.01706 0.01902 0.03992 D38 3.05808 0.00202 0.05972 0.02257 0.08244 3.14052 D39 3.04771 0.00182 0.04741 -0.01834 0.02901 3.07672 D40 -0.07938 0.00063 0.02245 0.01188 0.03436 -0.04502 D41 0.01341 0.00101 -0.01171 -0.02403 -0.03591 -0.02250 D42 -3.11368 -0.00017 -0.03667 0.00620 -0.03057 3.13894 D43 0.01715 -0.00134 -0.02836 0.01940 -0.00878 0.00837 D44 3.11476 -0.00146 -0.04187 0.02075 -0.02080 3.09396 D45 -3.13993 -0.00010 -0.00162 -0.01289 -0.01462 3.12864 D46 -0.04232 -0.00022 -0.01513 -0.01154 -0.02663 -0.06896 D47 1.51791 -0.00037 -0.04754 -0.11961 -0.16615 1.35176 D48 -0.60210 0.00094 -0.02917 -0.03277 -0.06208 -0.66418 D49 -2.65005 0.00054 -0.03244 -0.09956 -0.13263 -2.78269 D50 -1.57930 -0.00028 -0.03390 -0.12121 -0.15430 -1.73359 D51 2.58388 0.00103 -0.01554 -0.03437 -0.05023 2.53366 D52 0.53593 0.00063 -0.01880 -0.10116 -0.12078 0.41515 D53 -0.55022 0.00369 0.09722 -0.00306 0.09432 -0.45591 D54 2.63647 0.00237 0.08547 -0.01547 0.06941 2.70588 D55 0.90271 -0.00100 -0.04939 0.03055 -0.01819 0.88452 D56 -1.26702 0.00162 -0.02536 0.10783 0.08171 -1.18531 D57 3.00046 0.00159 -0.03085 0.09379 0.06388 3.06434 Item Value Threshold Converged? Maximum Force 0.034948 0.000450 NO RMS Force 0.004759 0.000300 NO Maximum Displacement 0.917311 0.001800 NO RMS Displacement 0.114881 0.001200 NO Predicted change in Energy=-3.275677D-03 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.972581 -5.055438 2.226224 2 6 0 7.257896 -4.554426 3.621873 3 8 0 6.664252 -6.409740 2.245127 4 7 0 2.757356 -2.121632 0.269636 5 6 0 3.833713 -2.855080 0.704990 6 7 0 5.000772 -2.340438 0.628615 7 6 0 6.071406 -3.056620 1.104938 8 8 0 7.193819 -2.639612 1.092057 9 7 0 5.816873 -4.321899 1.646098 10 6 0 4.572713 -4.851608 1.692759 11 6 0 3.524731 -4.154915 1.235819 12 1 0 7.797200 -4.844866 1.566603 13 1 0 8.139042 -5.053915 4.011231 14 1 0 7.432899 -3.484805 3.609004 15 6 0 1.467494 -2.321490 0.720473 16 1 0 2.947430 -1.214256 -0.101572 17 1 0 4.488589 -5.829260 2.125864 18 6 0 2.090298 -4.573174 1.144866 19 1 0 6.423413 -4.776812 4.278522 20 1 0 7.088428 -6.857440 1.524351 21 8 0 0.616565 -1.523843 0.533712 22 1 0 1.854853 -4.890218 0.137509 23 8 0 1.253210 -3.448502 1.392862 24 1 0 1.814467 -5.358013 1.834439 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.510051 0.000000 3 O 1.389085 2.385379 0.000000 4 N 5.495778 6.116441 6.128154 0.000000 5 C 4.124102 4.808431 4.797872 1.373326 0.000000 6 N 3.716397 4.353843 4.683961 2.282468 1.277778 7 C 2.462656 3.160087 3.590949 3.543283 2.282070 8 O 2.677965 3.173419 3.977923 4.541683 3.389183 9 N 1.486703 2.456482 2.331516 4.012040 2.640107 10 C 2.466880 3.319640 2.665975 3.574013 2.346898 11 C 3.698582 4.448526 3.994937 2.378364 1.437644 12 H 1.076772 2.144607 2.047632 5.873513 4.517837 13 H 2.132342 1.085129 2.670653 7.180554 5.856787 14 H 2.142630 1.083919 3.317563 5.905110 4.667332 15 C 6.328328 6.850758 6.785621 1.380920 2.425686 16 H 6.031182 6.603098 6.805499 0.998626 2.031833 17 H 2.603668 3.395925 2.254926 4.493245 3.360579 18 C 5.023803 5.730618 5.050208 2.687201 2.486933 19 H 2.142696 1.084899 2.618999 6.046580 4.813495 20 H 1.937332 3.119646 0.948619 6.539142 5.223352 21 O 7.465635 7.926440 7.960870 2.238320 3.485911 22 H 5.530024 6.437890 5.466381 2.914968 2.894773 23 O 5.998994 6.499831 6.226930 2.298842 2.735747 24 H 5.181813 5.785464 4.979479 3.716425 3.408473 6 7 8 9 10 6 N 0.000000 7 C 1.373337 0.000000 8 O 2.261358 1.197444 0.000000 9 N 2.372230 1.399490 2.243442 0.000000 10 C 2.760726 2.411140 3.481949 1.353035 0.000000 11 C 2.416551 2.776497 3.972281 2.334550 1.338820 12 H 3.869365 2.527711 2.335039 2.049758 3.226961 13 H 5.352923 4.087890 3.904341 3.394432 4.258514 14 H 4.013419 2.882248 2.665808 2.676802 3.704161 15 C 3.534523 4.678058 5.747180 4.876014 4.121798 16 H 2.453095 3.822198 4.635538 4.576625 4.369382 17 H 3.830921 3.351885 4.308234 2.065587 1.072595 18 C 3.704387 4.260370 5.457781 3.768519 2.557361 19 H 4.613204 3.626928 3.913402 2.739433 3.180701 20 H 5.056081 3.956827 4.241233 2.839127 3.221886 21 O 4.460618 5.694821 6.694547 6.009137 5.297973 22 H 4.079138 4.698651 5.872048 4.277433 3.131622 23 O 3.981972 4.842672 6.002967 4.653382 3.616316 24 H 4.551078 4.893885 6.072748 4.138630 2.807924 11 12 13 14 15 11 C 0.000000 12 H 4.340442 0.000000 13 H 5.459209 2.477249 0.000000 14 H 4.621128 2.480703 1.767068 0.000000 15 C 2.803436 6.866479 7.924947 6.729262 0.000000 16 H 3.281672 6.283662 7.655779 6.248456 2.022853 17 H 2.127118 3.496957 4.181097 4.045384 4.838036 18 C 1.496934 5.728910 6.710772 5.983302 2.374463 19 H 4.248194 3.040795 1.758298 1.771044 6.576432 20 H 4.481833 2.134150 3.246700 3.979838 7.267459 21 O 3.984084 7.978570 9.007896 7.730796 1.181186 22 H 2.129660 6.111943 7.384006 6.718710 2.662379 23 O 2.384007 6.693565 7.539753 6.565147 1.329730 24 H 2.175039 6.010670 6.695606 6.182618 3.252966 16 17 18 19 20 16 H 0.000000 17 H 5.351159 0.000000 18 C 3.683831 2.879567 0.000000 19 H 6.630195 3.079794 5.351369 0.000000 20 H 7.185890 2.859744 5.508465 3.515213 0.000000 21 O 2.435644 6.005342 3.441485 7.637074 8.444740 22 H 3.842341 3.431023 1.081998 6.167057 5.760521 23 O 3.177352 4.083255 1.423764 6.068149 6.759284 24 H 4.711949 2.730921 1.080540 5.249164 5.491730 21 22 23 24 21 O 0.000000 22 H 3.608715 0.000000 23 O 2.201765 2.004104 0.000000 24 H 4.222289 1.760692 2.038684 0.000000 Stoichiometry C8H9N3O4 Framework group C1[X(C8H9N3O4)] Deg. of freedom 66 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 3.023973 -0.279106 -0.055782 2 6 0 3.461023 -0.140222 1.382951 3 8 0 3.256111 -1.568942 -0.516208 4 7 0 -2.333322 0.930163 -0.257381 5 6 0 -0.988124 0.653642 -0.258965 6 7 0 -0.159667 1.626419 -0.267967 7 6 0 1.184857 1.349938 -0.224729 8 8 0 2.026494 2.201535 -0.207297 9 7 0 1.569845 0.005255 -0.178006 10 6 0 0.670464 -1.005481 -0.193156 11 6 0 -0.641549 -0.741272 -0.228576 12 1 0 3.506098 0.457057 -0.676313 13 1 0 4.533562 -0.290712 1.450169 14 1 0 3.217213 0.847712 1.756344 15 6 0 -3.288859 0.059835 0.228847 16 1 0 -2.598239 1.892824 -0.276255 17 1 0 1.072112 -1.999349 -0.156223 18 6 0 -1.788003 -1.700675 -0.306043 19 1 0 2.973705 -0.889869 1.997408 20 1 0 3.609350 -1.549291 -1.396386 21 8 0 -4.391442 0.416730 0.457182 22 1 0 -2.146251 -1.776107 -1.324222 23 8 0 -2.884594 -1.188574 0.443852 24 1 0 -1.560771 -2.691069 0.061451 --------------------------------------------------------------------- Rotational constants (GHZ): 1.4453205 0.3654429 0.3112322 Standard basis: 6-31G(d) (6D, 7F) There are 243 symmetry adapted cartesian basis functions of A symmetry. There are 243 symmetry adapted basis functions of A symmetry. 243 basis functions, 456 primitive gaussians, 243 cartesian basis functions 55 alpha electrons 55 beta electrons nuclear repulsion energy 1028.3632725207 Hartrees. NAtoms= 24 NActive= 24 NUniq= 24 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. One-electron integrals computed using PRISM. NBasis= 243 RedAO= T EigKep= 8.43D-04 NBF= 243 NBsUse= 243 1.00D-06 EigRej= -1.00D+00 NBFU= 243 Lowest energy guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 0.000000 -0.000000 Rot= 0.999999 -0.001438 0.000543 -0.000552 Ang= -0.19 deg. B after Tr= -0.000000 -0.000000 -0.000000 Rot= 0.999918 -0.012529 0.002179 -0.001360 Ang= -1.47 deg. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -771.024830426 A.U. after 13 cycles NFock= 13 Conv=0.63D-08 -V/T= 2.0016 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 -0.005676435 0.004795298 -0.007279186 2 6 0.002472587 -0.001794737 0.004339066 3 8 0.005370834 -0.002532721 0.002593241 4 7 0.003712788 -0.005071115 0.001733875 5 6 -0.005688487 -0.003909695 0.004458457 6 7 0.005081778 -0.001927459 0.000101492 7 6 -0.002289497 0.003739243 -0.002649397 8 8 0.001576915 -0.000949053 0.000235240 9 7 0.003435070 -0.005474165 -0.000630621 10 6 -0.001244013 0.004427749 0.004748126 11 6 -0.001733799 0.003941887 -0.002354310 12 1 0.001647165 -0.000736578 0.001320000 13 1 -0.000540422 0.000706762 0.000118427 14 1 -0.000118541 -0.002302867 -0.000316936 15 6 -0.003464728 0.001132721 -0.000884600 16 1 -0.000751333 -0.000228885 0.000103432 17 1 0.000987561 0.000781349 -0.001437549 18 6 0.002379885 0.006265752 -0.010163013 19 1 -0.000232546 0.000086508 -0.000164094 20 1 -0.002343552 0.001708156 0.000457003 21 8 -0.002009221 0.000702856 0.001519338 22 1 0.000302851 -0.006505738 -0.000864349 23 8 -0.000287265 -0.001381702 0.003761830 24 1 -0.000587594 0.004526434 0.001254527 ------------------------------------------------------------------- Cartesian Forces: Max 0.010163013 RMS 0.003189843 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.007839890 RMS 0.001864273 Search for a local minimum. Step number 28 out of a maximum of 134 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Update second derivatives using D2CorX and points 26 28 DE= -6.94D-05 DEPred=-3.28D-03 R= 2.12D-02 Trust test= 2.12D-02 RLast= 7.31D-01 DXMaxT set to 3.49D-01 ITU= -1 -1 1 1 1 0 -1 1 1 0 0 0 0 1 0 0 0 0 1 1 ITU= 1 1 1 1 -1 1 1 0 Use linear search instead of GDIIS. Eigenvalues --- 0.00124 0.00267 0.00451 0.00607 0.01255 Eigenvalues --- 0.01640 0.01753 0.01852 0.01993 0.02199 Eigenvalues --- 0.02234 0.02568 0.03028 0.05562 0.05777 Eigenvalues --- 0.05932 0.06953 0.07644 0.07765 0.08549 Eigenvalues --- 0.08819 0.09898 0.12471 0.12762 0.14708 Eigenvalues --- 0.15886 0.16071 0.16399 0.16604 0.16965 Eigenvalues --- 0.19603 0.20548 0.21817 0.23255 0.24049 Eigenvalues --- 0.24402 0.24842 0.24976 0.27208 0.27937 Eigenvalues --- 0.30547 0.33265 0.33603 0.33806 0.33852 Eigenvalues --- 0.33871 0.34152 0.34540 0.35072 0.38481 Eigenvalues --- 0.40450 0.42175 0.43432 0.44376 0.45567 Eigenvalues --- 0.47982 0.48539 0.49141 0.51039 0.52005 Eigenvalues --- 0.56062 0.59767 0.67288 0.76027 0.89714 Eigenvalues --- 1.30244 RFO step: Lambda=-1.06379999D-03 EMin= 1.24397851D-03 Quartic linear search produced a step of -0.44659. Iteration 1 RMS(Cart)= 0.04307668 RMS(Int)= 0.00151125 Iteration 2 RMS(Cart)= 0.00158737 RMS(Int)= 0.00011734 Iteration 3 RMS(Cart)= 0.00000194 RMS(Int)= 0.00011733 Iteration 4 RMS(Cart)= 0.00000000 RMS(Int)= 0.00011733 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.85358 0.00288 0.00581 -0.00356 0.00226 2.85584 R2 2.62499 0.00017 0.00309 -0.01018 -0.00708 2.61791 R3 2.80946 0.00090 -0.00550 0.00953 0.00403 2.81349 R4 2.03480 0.00031 0.00025 -0.00077 -0.00052 2.03428 R5 2.05060 -0.00072 -0.00085 -0.00104 -0.00189 2.04870 R6 2.04831 -0.00229 -0.00209 -0.00006 -0.00216 2.04616 R7 2.05016 0.00006 -0.00046 -0.00048 -0.00094 2.04922 R8 1.79263 -0.00220 -0.00264 0.00062 -0.00202 1.79061 R9 2.59521 -0.00003 -0.00346 -0.00329 -0.00667 2.58854 R10 2.60956 0.00375 0.00190 -0.00356 -0.00157 2.60799 R11 1.88713 -0.00039 -0.00003 0.00027 0.00025 1.88738 R12 2.41465 0.00497 0.00365 -0.00092 0.00273 2.41738 R13 2.71675 -0.00784 -0.00929 0.00365 -0.00568 2.71108 R14 2.59523 -0.00077 -0.00078 0.00474 0.00396 2.59919 R15 2.26284 0.00115 0.00162 0.00062 0.00224 2.26508 R16 2.64465 0.00147 -0.00401 -0.01027 -0.01428 2.63037 R17 2.55687 0.00095 0.00113 0.00315 0.00428 2.56115 R18 2.53000 0.00232 0.00067 -0.00110 -0.00044 2.52956 R19 2.02691 -0.00137 -0.00142 0.00091 -0.00051 2.02640 R20 2.82880 -0.00114 -0.00172 0.00225 0.00043 2.82923 R21 2.23212 0.00168 -0.00173 -0.00409 -0.00582 2.22630 R22 2.51283 -0.00203 0.00087 0.00154 0.00243 2.51525 R23 2.04468 0.00265 0.00214 -0.00133 0.00080 2.04548 R24 2.69052 -0.00081 -0.00311 -0.00395 -0.00711 2.68342 R25 2.04192 -0.00234 -0.00152 0.00130 -0.00023 2.04170 A1 1.93140 -0.00478 -0.00106 -0.01258 -0.01370 1.91770 A2 1.92178 0.00315 0.00752 -0.00060 0.00696 1.92874 A3 1.93542 0.00009 -0.00278 -0.00143 -0.00423 1.93119 A4 1.89000 0.00219 -0.00563 0.01353 0.00792 1.89792 A5 1.94871 0.00052 -0.00354 -0.00066 -0.00432 1.94439 A6 1.83361 -0.00078 0.00587 0.00304 0.00893 1.84254 A7 1.90957 0.00089 -0.00131 -0.00336 -0.00468 1.90489 A8 1.92510 -0.00059 -0.00046 -0.00341 -0.00387 1.92124 A9 1.92417 -0.00029 -0.00268 -0.00065 -0.00334 1.92083 A10 1.90433 -0.00024 0.00107 0.00645 0.00752 1.91185 A11 1.88921 -0.00007 0.00081 -0.00079 0.00001 1.88922 A12 1.91097 0.00030 0.00262 0.00188 0.00450 1.91547 A13 1.92894 -0.00070 -0.00106 -0.00042 -0.00148 1.92746 A14 2.15470 0.00271 0.00516 0.00268 0.00762 2.16232 A15 2.04196 -0.00081 0.00133 0.00309 0.00421 2.04617 A16 2.01600 -0.00187 -0.00211 0.00470 0.00239 2.01840 A17 2.07350 0.00222 0.00253 -0.00105 0.00166 2.07516 A18 2.01692 -0.00123 -0.00090 0.00283 0.00174 2.01867 A19 2.19263 -0.00099 -0.00158 -0.00171 -0.00327 2.18936 A20 2.07290 0.00195 0.00065 -0.00103 -0.00051 2.07238 A21 2.14766 0.00188 0.00036 -0.00519 -0.00478 2.14288 A22 2.05308 -0.00057 0.00118 0.00278 0.00387 2.05696 A23 2.08230 -0.00131 -0.00153 0.00241 0.00093 2.08323 A24 2.04383 0.00050 0.00086 0.00421 0.00504 2.04887 A25 2.10388 0.00257 0.00225 -0.00490 -0.00267 2.10121 A26 2.13475 -0.00306 -0.00296 -0.00031 -0.00343 2.13131 A27 2.09935 0.00284 0.00156 0.00063 0.00216 2.10151 A28 2.02961 -0.00215 -0.00100 0.00197 0.00109 2.03071 A29 2.15404 -0.00065 -0.00054 -0.00269 -0.00310 2.15094 A30 2.01339 -0.00016 0.00104 -0.00008 0.00103 2.01442 A31 2.02210 -0.00023 0.00535 0.00915 0.01415 2.03625 A32 2.24647 0.00038 -0.00652 -0.00929 -0.01555 2.23092 A33 2.12180 0.00348 0.00568 0.00093 0.00667 2.12847 A34 2.02447 -0.00332 -0.00330 0.00443 0.00101 2.02548 A35 2.13673 -0.00017 -0.00248 -0.00537 -0.00779 2.12894 A36 1.92512 0.00094 0.01395 0.00262 0.01683 1.94195 A37 1.90932 0.00217 0.00336 0.00493 0.00793 1.91725 A38 1.99192 -0.00144 -0.01360 -0.00538 -0.01870 1.97322 A39 1.83972 0.00376 0.02053 -0.00073 0.02010 1.85982 A40 1.90262 -0.00072 -0.00521 -0.00661 -0.01202 1.89060 A41 1.88863 -0.00438 -0.01819 0.00560 -0.01225 1.87638 A42 2.07908 -0.00165 0.00607 0.01030 0.01601 2.09509 D1 1.11219 -0.00142 -0.01253 -0.00707 -0.01957 1.09262 D2 -3.07608 -0.00152 -0.01232 -0.00334 -0.01564 -3.09172 D3 -0.96354 -0.00171 -0.01110 -0.00364 -0.01471 -0.97826 D4 -3.08211 0.00029 -0.01539 0.00137 -0.01403 -3.09614 D5 -0.98719 0.00019 -0.01519 0.00510 -0.01010 -0.99729 D6 1.12534 0.00000 -0.01396 0.00480 -0.00918 1.11617 D7 -1.06029 0.00129 -0.00528 0.00388 -0.00141 -1.06170 D8 1.03463 0.00119 -0.00507 0.00761 0.00252 1.03715 D9 -3.13602 0.00100 -0.00385 0.00731 0.00345 -3.13258 D10 -2.40760 0.00072 0.17443 -0.28647 -0.11208 -2.51968 D11 1.76770 -0.00164 0.16942 -0.28667 -0.11726 1.65044 D12 -0.24272 -0.00228 0.16757 -0.29802 -0.13040 -0.37311 D13 1.41030 0.00198 0.00178 0.01173 0.01343 1.42373 D14 -1.69107 0.00192 -0.00294 0.03913 0.03619 -1.65488 D15 -2.75904 -0.00059 0.00145 0.00443 0.00585 -2.75319 D16 0.42278 -0.00065 -0.00327 0.03184 0.02861 0.45139 D17 -0.67460 0.00069 -0.00237 0.01199 0.00962 -0.66498 D18 2.50721 0.00062 -0.00709 0.03939 0.03238 2.53959 D19 -2.71416 0.00005 -0.01866 -0.02611 -0.04493 -2.75909 D20 0.41086 0.00039 -0.00821 -0.02190 -0.03022 0.38063 D21 0.01439 -0.00034 -0.00643 0.00424 -0.00221 0.01218 D22 3.13941 -0.00000 0.00402 0.00845 0.01249 -3.13128 D23 2.88066 -0.00092 -0.00431 0.02793 0.02379 2.90445 D24 -0.24092 -0.00034 0.00016 0.02885 0.02909 -0.21183 D25 0.14654 -0.00074 -0.01703 -0.00166 -0.01868 0.12786 D26 -2.97504 -0.00016 -0.01256 -0.00075 -0.01338 -2.98842 D27 3.10435 0.00009 0.00645 -0.00040 0.00616 3.11052 D28 -0.01884 -0.00028 -0.00514 -0.00512 -0.01017 -0.02901 D29 -3.11094 0.00112 -0.00029 -0.01858 -0.01894 -3.12988 D30 0.07921 0.00115 0.00222 -0.01377 -0.01161 0.06760 D31 0.01278 0.00152 0.01096 -0.01403 -0.00308 0.00971 D32 -3.08026 0.00154 0.01347 -0.00922 0.00426 -3.07600 D33 -3.11937 -0.00065 0.00033 0.02668 0.02706 -3.09232 D34 0.00412 -0.00052 0.00087 0.02733 0.02825 0.03237 D35 -3.08428 -0.00021 -0.00787 -0.00427 -0.01211 -3.09639 D36 0.01632 -0.00001 -0.00297 -0.03231 -0.03526 -0.01894 D37 0.03992 -0.00005 -0.00734 -0.00372 -0.01102 0.02889 D38 3.14052 0.00015 -0.00243 -0.03176 -0.03418 3.10634 D39 3.07672 0.00145 0.01434 -0.01555 -0.00113 3.07559 D40 -0.04502 -0.00064 -0.00242 -0.01046 -0.01279 -0.05781 D41 -0.02250 0.00129 0.00930 0.01322 0.02252 0.00002 D42 3.13894 -0.00080 -0.00746 0.01831 0.01086 -3.13338 D43 0.00837 -0.00193 -0.01241 0.00930 -0.00304 0.00533 D44 3.09396 -0.00198 -0.01482 0.00442 -0.01027 3.08369 D45 3.12864 0.00031 0.00560 0.00390 0.00951 3.13815 D46 -0.06896 0.00025 0.00318 -0.00099 0.00228 -0.06668 D47 1.35176 0.00341 0.04683 0.04319 0.08990 1.44166 D48 -0.66418 -0.00291 0.01093 0.03974 0.05066 -0.61352 D49 -2.78269 0.00213 0.04055 0.03255 0.07328 -2.70941 D50 -1.73359 0.00346 0.04939 0.04835 0.09758 -1.63602 D51 2.53366 -0.00286 0.01349 0.04490 0.05833 2.59199 D52 0.41515 0.00218 0.04311 0.03771 0.08095 0.49610 D53 -0.45591 0.00001 0.01386 -0.00190 0.01223 -0.44368 D54 2.70588 0.00054 0.01822 -0.00105 0.01735 2.72323 D55 0.88452 0.00226 -0.02031 -0.03344 -0.05373 0.83079 D56 -1.18531 -0.00201 -0.05109 -0.03860 -0.08945 -1.27476 D57 3.06434 -0.00100 -0.04629 -0.03325 -0.07978 2.98456 Item Value Threshold Converged? Maximum Force 0.007840 0.000450 NO RMS Force 0.001864 0.000300 NO Maximum Displacement 0.179923 0.001800 NO RMS Displacement 0.042939 0.001200 NO Predicted change in Energy=-9.149658D-04 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.980018 -5.049684 2.218347 2 6 0 7.256820 -4.583310 3.628928 3 8 0 6.685193 -6.403285 2.219131 4 7 0 2.761553 -2.113323 0.264677 5 6 0 3.833306 -2.838300 0.714223 6 7 0 5.003609 -2.328766 0.629500 7 6 0 6.073108 -3.044030 1.115699 8 8 0 7.192695 -2.615977 1.118411 9 7 0 5.824747 -4.308783 1.641245 10 6 0 4.575518 -4.830741 1.703079 11 6 0 3.526319 -4.132257 1.252393 12 1 0 7.814735 -4.829767 1.575129 13 1 0 8.128482 -5.102848 4.010527 14 1 0 7.438323 -3.515896 3.638656 15 6 0 1.461097 -2.328101 0.673738 16 1 0 2.949480 -1.212350 -0.123198 17 1 0 4.489318 -5.809419 2.132775 18 6 0 2.096395 -4.569430 1.176912 19 1 0 6.414253 -4.817564 4.270125 20 1 0 7.031506 -6.817761 1.440591 21 8 0 0.602749 -1.550949 0.456464 22 1 0 1.863756 -4.985142 0.204953 23 8 0 1.240121 -3.450578 1.354044 24 1 0 1.836895 -5.299739 1.929651 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.511246 0.000000 3 O 1.385337 2.372045 0.000000 4 N 5.498590 6.134040 6.133402 0.000000 5 C 4.129698 4.822967 4.806987 1.369796 0.000000 6 N 3.719411 4.376813 4.685761 2.281738 1.279223 7 C 2.461903 3.175985 3.588427 3.543565 2.284780 8 O 2.679183 3.190174 3.976537 4.540545 3.390913 9 N 1.488836 2.465174 2.336934 4.012249 2.643393 10 C 2.468817 3.310513 2.681405 3.569851 2.344895 11 C 3.701726 4.446123 4.008820 2.374141 1.434641 12 H 1.076496 2.142452 2.041215 5.884811 4.534189 13 H 2.129250 1.084128 2.642597 7.195317 5.868759 14 H 2.140053 1.082779 3.304432 5.934908 4.691225 15 C 6.344393 6.885457 6.803421 1.380089 2.426792 16 H 6.037648 6.632872 6.810863 0.998757 2.031289 17 H 2.605400 3.376520 2.276401 4.487325 3.357110 18 C 5.016474 5.713368 5.050378 2.703159 2.495547 19 H 2.140972 1.084402 2.606626 6.057950 4.819047 20 H 1.932266 3.135659 0.947548 6.461193 5.156762 21 O 7.484313 7.970972 7.977987 2.239080 3.487150 22 H 5.498551 6.400798 5.414268 3.009477 2.957602 23 O 6.020846 6.531374 6.254252 2.299940 2.740231 24 H 5.157285 5.725068 4.980724 3.712193 3.394348 6 7 8 9 10 6 N 0.000000 7 C 1.375434 0.000000 8 O 2.261332 1.198629 0.000000 9 N 2.370308 1.391934 2.238354 0.000000 10 C 2.756032 2.404190 3.478022 1.355300 0.000000 11 C 2.413082 2.772916 3.969808 2.337764 1.338587 12 H 3.879645 2.536375 2.344439 2.058117 3.241743 13 H 5.375101 4.104062 3.927412 3.398711 4.245222 14 H 4.048720 2.907195 2.687345 2.687369 3.697422 15 C 3.542788 4.688126 5.756025 4.888825 4.125817 16 H 2.456091 3.827136 4.638603 4.579117 4.367154 17 H 3.826130 3.345177 4.305259 2.068062 1.072324 18 C 3.711083 4.259677 5.458176 3.766186 2.547781 19 H 4.630138 3.634860 3.922533 2.741786 3.157665 20 H 4.992125 3.907061 4.217199 2.791326 3.170020 21 O 4.472417 5.708652 6.708193 6.023173 5.300375 22 H 4.134641 4.723984 5.902961 4.267300 3.101915 23 O 3.993403 4.855909 6.015415 4.673093 3.626507 24 H 4.532676 4.867879 6.045270 4.119240 2.787714 11 12 13 14 15 11 C 0.000000 12 H 4.356741 0.000000 13 H 5.452454 2.470662 0.000000 14 H 4.623628 2.475094 1.770035 0.000000 15 C 2.802670 6.887637 7.955338 6.777081 0.000000 16 H 3.278849 6.296088 7.684121 6.293455 2.023682 17 H 2.124926 3.511279 4.155564 4.027972 4.839265 18 C 1.497164 5.738098 6.685805 5.975477 2.383347 19 H 4.232791 3.037186 1.757089 1.772516 6.607964 20 H 4.419693 2.140949 3.278544 3.987393 7.195454 21 O 3.980442 8.000925 9.048978 7.791819 1.178107 22 H 2.142115 6.108655 7.330965 6.710052 2.727959 23 O 2.387827 6.721353 7.565476 6.606166 1.331015 24 H 2.162370 6.006757 6.629697 6.121993 3.247949 16 17 18 19 20 16 H 0.000000 17 H 5.347294 0.000000 18 C 3.699733 2.859603 0.000000 19 H 6.656088 3.042600 5.317278 0.000000 20 H 7.108375 2.821098 5.429535 3.519667 0.000000 21 O 2.440861 6.004165 3.444017 7.680388 8.368795 22 H 3.939598 3.359986 1.082423 6.104157 5.620581 23 O 3.180222 4.089968 1.420004 6.094574 6.699668 24 H 4.707311 2.708576 1.080419 5.163577 5.433926 21 22 23 24 21 O 0.000000 22 H 3.667026 0.000000 23 O 2.195559 2.015991 0.000000 24 H 4.212697 1.753361 2.026539 0.000000 Stoichiometry C8H9N3O4 Framework group C1[X(C8H9N3O4)] Deg. of freedom 66 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 3.028355 -0.274977 -0.073292 2 6 0 3.482066 -0.175999 1.364837 3 8 0 3.264665 -1.552235 -0.554879 4 7 0 -2.332637 0.935829 -0.241250 5 6 0 -0.990940 0.659918 -0.233435 6 7 0 -0.159764 1.632073 -0.255177 7 6 0 1.186201 1.352538 -0.209792 8 8 0 2.025745 2.207389 -0.176526 9 7 0 1.572179 0.015477 -0.182015 10 6 0 0.669180 -0.995168 -0.176635 11 6 0 -0.642992 -0.731445 -0.198295 12 1 0 3.517410 0.469542 -0.677742 13 1 0 4.551758 -0.345733 1.412623 14 1 0 3.253118 0.805700 1.760133 15 6 0 -3.301035 0.060052 0.205813 16 1 0 -2.601430 1.897154 -0.274706 17 1 0 1.068370 -1.989967 -0.146612 18 6 0 -1.774943 -1.709069 -0.264925 19 1 0 2.990761 -0.935527 1.962887 20 1 0 3.516294 -1.520282 -1.467846 21 8 0 -4.409586 0.405274 0.405491 22 1 0 -2.090122 -1.875691 -1.286952 23 8 0 -2.901488 -1.190244 0.426543 24 1 0 -1.534642 -2.665415 0.176622 --------------------------------------------------------------------- Rotational constants (GHZ): 1.4532151 0.3641228 0.3098093 Standard basis: 6-31G(d) (6D, 7F) There are 243 symmetry adapted cartesian basis functions of A symmetry. There are 243 symmetry adapted basis functions of A symmetry. 243 basis functions, 456 primitive gaussians, 243 cartesian basis functions 55 alpha electrons 55 beta electrons nuclear repulsion energy 1028.0267483429 Hartrees. NAtoms= 24 NActive= 24 NUniq= 24 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. One-electron integrals computed using PRISM. NBasis= 243 RedAO= T EigKep= 8.47D-04 NBF= 243 NBsUse= 243 1.00D-06 EigRej= -1.00D+00 NBFU= 243 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 0.000000 -0.000000 Rot= 0.999994 -0.003331 -0.000214 -0.000210 Ang= -0.38 deg. ExpMin= 1.61D-01 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn= 5 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 5 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 5 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -771.026024658 A.U. after 13 cycles NFock= 13 Conv=0.52D-08 -V/T= 2.0016 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 -0.003807943 0.005508293 -0.004843689 2 6 0.000926716 -0.001905161 0.001928479 3 8 0.002589327 -0.003893950 0.002231988 4 7 0.001687608 -0.002672605 0.000494227 5 6 -0.001755672 -0.003657619 0.002255160 6 7 0.003704095 -0.002861831 0.001377771 7 6 -0.000088032 0.009683617 -0.004410548 8 8 0.000777882 -0.001497999 -0.000150804 9 7 0.001420755 -0.010369269 0.002300428 10 6 0.000217337 0.004512654 0.003234673 11 6 -0.001498728 0.001798175 -0.001326535 12 1 0.000708740 0.000591518 0.000279062 13 1 0.000075268 0.001010937 0.000420704 14 1 0.000126451 -0.001481378 0.000388087 15 6 -0.000483496 -0.003885444 0.001468364 16 1 -0.000632179 -0.000334310 0.000341413 17 1 0.001319834 0.000516617 -0.000900219 18 6 0.001940033 0.002439734 -0.006219545 19 1 -0.000401074 0.000457943 0.000407129 20 1 -0.001519501 0.000677886 -0.000515438 21 8 -0.005153969 0.005240735 -0.000653838 22 1 0.000550788 -0.003209609 -0.001186929 23 8 0.000204952 -0.000198840 0.002290208 24 1 -0.000909191 0.003529907 0.000789851 ------------------------------------------------------------------- Cartesian Forces: Max 0.010369269 RMS 0.002865278 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.007332792 RMS 0.001637089 Search for a local minimum. Step number 29 out of a maximum of 134 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Update second derivatives using D2CorX and points 28 29 DE= -1.19D-03 DEPred=-9.15D-04 R= 1.31D+00 TightC=F SS= 1.41D+00 RLast= 3.40D-01 DXNew= 5.8700D-01 1.0200D+00 Trust test= 1.31D+00 RLast= 3.40D-01 DXMaxT set to 5.87D-01 ITU= 1 -1 -1 1 1 1 0 -1 1 1 0 0 0 0 1 0 0 0 0 1 ITU= 1 1 1 1 1 -1 1 1 0 Use linear search instead of GDIIS. Eigenvalues --- 0.00120 0.00267 0.00515 0.00608 0.01243 Eigenvalues --- 0.01645 0.01748 0.01848 0.01979 0.02154 Eigenvalues --- 0.02217 0.02566 0.02926 0.05608 0.05843 Eigenvalues --- 0.05959 0.06878 0.07132 0.07742 0.07781 Eigenvalues --- 0.08654 0.09222 0.12573 0.12766 0.14794 Eigenvalues --- 0.15839 0.16068 0.16440 0.16552 0.16952 Eigenvalues --- 0.19194 0.20684 0.21894 0.23155 0.24038 Eigenvalues --- 0.24469 0.24741 0.25019 0.26936 0.27990 Eigenvalues --- 0.30392 0.33343 0.33511 0.33803 0.33833 Eigenvalues --- 0.33882 0.34097 0.34387 0.34859 0.36373 Eigenvalues --- 0.38876 0.40955 0.43472 0.44503 0.45553 Eigenvalues --- 0.47742 0.48571 0.49045 0.51290 0.52106 Eigenvalues --- 0.55687 0.59605 0.66244 0.72344 0.89722 Eigenvalues --- 1.31370 RFO step: Lambda=-7.29244044D-04 EMin= 1.19897881D-03 Quartic linear search produced a step of 0.65640. Iteration 1 RMS(Cart)= 0.03038904 RMS(Int)= 0.00220980 Iteration 2 RMS(Cart)= 0.00219813 RMS(Int)= 0.00009289 Iteration 3 RMS(Cart)= 0.00001214 RMS(Int)= 0.00009248 Iteration 4 RMS(Cart)= 0.00000000 RMS(Int)= 0.00009248 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.85584 0.00248 0.00148 0.00176 0.00324 2.85908 R2 2.61791 0.00292 -0.00465 0.00171 -0.00294 2.61497 R3 2.81349 -0.00138 0.00265 -0.00064 0.00201 2.81550 R4 2.03428 0.00050 -0.00034 0.00050 0.00016 2.03444 R5 2.04870 -0.00028 -0.00124 -0.00049 -0.00173 2.04698 R6 2.04616 -0.00144 -0.00141 -0.00004 -0.00145 2.04471 R7 2.04922 0.00045 -0.00062 0.00049 -0.00012 2.04910 R8 1.79061 -0.00043 -0.00133 0.00087 -0.00046 1.79015 R9 2.58854 0.00175 -0.00438 0.00196 -0.00240 2.58614 R10 2.60799 0.00318 -0.00103 0.00405 0.00304 2.61103 R11 1.88738 -0.00055 0.00016 -0.00010 0.00007 1.88744 R12 2.41738 0.00328 0.00179 0.00066 0.00246 2.41984 R13 2.71108 -0.00498 -0.00373 -0.00329 -0.00701 2.70407 R14 2.59919 -0.00209 0.00260 -0.00201 0.00059 2.59978 R15 2.26508 0.00019 0.00147 -0.00099 0.00048 2.26556 R16 2.63037 0.00616 -0.00937 0.00364 -0.00574 2.62464 R17 2.56115 -0.00069 0.00281 -0.00184 0.00097 2.56211 R18 2.52956 0.00204 -0.00029 -0.00009 -0.00037 2.52919 R19 2.02640 -0.00094 -0.00034 -0.00024 -0.00058 2.02582 R20 2.82923 -0.00024 0.00029 -0.00140 -0.00114 2.82809 R21 2.22630 0.00733 -0.00382 0.00282 -0.00100 2.22530 R22 2.51525 -0.00182 0.00159 -0.00036 0.00124 2.51649 R23 2.04548 0.00218 0.00053 0.00225 0.00278 2.04826 R24 2.68342 0.00026 -0.00466 0.00092 -0.00376 2.67966 R25 2.04170 -0.00162 -0.00015 -0.00161 -0.00176 2.03994 A1 1.91770 -0.00297 -0.00899 -0.00464 -0.01370 1.90400 A2 1.92874 0.00218 0.00457 0.00081 0.00543 1.93418 A3 1.93119 0.00030 -0.00278 -0.00073 -0.00361 1.92758 A4 1.89792 0.00124 0.00520 0.00292 0.00817 1.90609 A5 1.94439 0.00061 -0.00284 0.00432 0.00131 1.94571 A6 1.84254 -0.00119 0.00586 -0.00244 0.00342 1.84595 A7 1.90489 0.00114 -0.00307 0.00267 -0.00041 1.90448 A8 1.92124 0.00023 -0.00254 -0.00164 -0.00419 1.91705 A9 1.92083 0.00028 -0.00220 0.00117 -0.00103 1.91979 A10 1.91185 -0.00093 0.00494 -0.00222 0.00272 1.91457 A11 1.88922 -0.00029 0.00000 0.00234 0.00233 1.89155 A12 1.91547 -0.00043 0.00295 -0.00225 0.00070 1.91616 A13 1.92746 -0.00036 -0.00097 -0.00344 -0.00441 1.92305 A14 2.16232 0.00250 0.00500 -0.00011 0.00463 2.16695 A15 2.04617 -0.00081 0.00276 -0.00234 0.00027 2.04645 A16 2.01840 -0.00168 0.00157 -0.00388 -0.00246 2.01594 A17 2.07516 0.00110 0.00109 0.00206 0.00322 2.07838 A18 2.01867 -0.00100 0.00114 -0.00243 -0.00143 2.01724 A19 2.18936 -0.00010 -0.00215 0.00036 -0.00182 2.18753 A20 2.07238 0.00215 -0.00034 0.00100 0.00055 2.07293 A21 2.14288 0.00250 -0.00314 0.00461 0.00152 2.14440 A22 2.05696 -0.00169 0.00254 -0.00154 0.00092 2.05788 A23 2.08323 -0.00080 0.00061 -0.00308 -0.00243 2.08080 A24 2.04887 -0.00001 0.00331 -0.00127 0.00198 2.05084 A25 2.10121 0.00213 -0.00175 0.00133 -0.00047 2.10074 A26 2.13131 -0.00211 -0.00225 -0.00021 -0.00265 2.12867 A27 2.10151 0.00232 0.00142 0.00059 0.00186 2.10337 A28 2.03071 -0.00233 0.00072 -0.00330 -0.00262 2.02809 A29 2.15094 0.00002 -0.00204 0.00280 0.00074 2.15168 A30 2.01442 -0.00056 0.00068 -0.00006 0.00064 2.01506 A31 2.03625 -0.00084 0.00929 -0.00670 0.00242 2.03867 A32 2.23092 0.00140 -0.01020 0.00685 -0.00322 2.22770 A33 2.12847 0.00142 0.00438 0.00206 0.00649 2.13496 A34 2.02548 -0.00292 0.00066 -0.00555 -0.00501 2.02047 A35 2.12894 0.00149 -0.00511 0.00344 -0.00162 2.12732 A36 1.94195 -0.00017 0.01104 -0.00054 0.01026 1.95220 A37 1.91725 0.00234 0.00520 -0.00319 0.00145 1.91869 A38 1.97322 -0.00067 -0.01227 0.00132 -0.01096 1.96226 A39 1.85982 0.00185 0.01319 0.00810 0.02105 1.88087 A40 1.89060 0.00030 -0.00789 0.00312 -0.00463 1.88598 A41 1.87638 -0.00364 -0.00804 -0.00860 -0.01665 1.85973 A42 2.09509 -0.00084 0.01051 -0.00829 0.00201 2.09710 D1 1.09262 -0.00046 -0.01285 0.00576 -0.00704 1.08558 D2 -3.09172 -0.00076 -0.01027 0.00369 -0.00653 -3.09824 D3 -0.97826 -0.00097 -0.00966 0.00059 -0.00902 -0.98728 D4 -3.09614 0.00056 -0.00921 0.00693 -0.00229 -3.09843 D5 -0.99729 0.00026 -0.00663 0.00486 -0.00178 -0.99907 D6 1.11617 0.00005 -0.00602 0.00176 -0.00427 1.11189 D7 -1.06170 0.00060 -0.00093 0.00398 0.00302 -1.05868 D8 1.03715 0.00031 0.00165 0.00192 0.00353 1.04068 D9 -3.13258 0.00010 0.00226 -0.00119 0.00103 -3.13154 D10 -2.51968 0.00003 -0.07357 -0.10294 -0.17656 -2.69624 D11 1.65044 -0.00160 -0.07697 -0.10292 -0.17986 1.47059 D12 -0.37311 -0.00125 -0.08559 -0.10417 -0.18974 -0.56286 D13 1.42373 0.00147 0.00882 0.00982 0.01862 1.44235 D14 -1.65488 0.00135 0.02375 0.01250 0.03628 -1.61860 D15 -2.75319 -0.00005 0.00384 0.00646 0.01028 -2.74291 D16 0.45139 -0.00018 0.01878 0.00914 0.02794 0.47933 D17 -0.66498 0.00065 0.00631 0.01169 0.01799 -0.64700 D18 2.53959 0.00053 0.02125 0.01438 0.03565 2.57524 D19 -2.75909 0.00019 -0.02949 0.01494 -0.01465 -2.77374 D20 0.38063 0.00016 -0.01984 0.01559 -0.00431 0.37633 D21 0.01218 -0.00019 -0.00145 -0.00593 -0.00739 0.00479 D22 -3.13128 -0.00022 0.00820 -0.00528 0.00295 -3.12833 D23 2.90445 -0.00058 0.01561 -0.01709 -0.00143 2.90302 D24 -0.21183 -0.00042 0.01910 -0.01477 0.00436 -0.20747 D25 0.12786 -0.00036 -0.01226 0.00320 -0.00907 0.11879 D26 -2.98842 -0.00020 -0.00878 0.00552 -0.00328 -2.99170 D27 3.11052 -0.00011 0.00405 0.00031 0.00443 3.11495 D28 -0.02901 -0.00007 -0.00667 -0.00041 -0.00701 -0.03601 D29 -3.12988 0.00100 -0.01243 0.00980 -0.00265 -3.13252 D30 0.06760 0.00102 -0.00762 0.00791 0.00032 0.06792 D31 0.00971 0.00097 -0.00202 0.01050 0.00844 0.01815 D32 -3.07600 0.00099 0.00279 0.00861 0.01141 -3.06459 D33 -3.09232 -0.00090 0.01776 -0.00535 0.01247 -3.07985 D34 0.03237 -0.00048 0.01854 -0.00576 0.01285 0.04522 D35 -3.09639 -0.00022 -0.00795 0.00443 -0.00349 -3.09988 D36 -0.01894 0.00008 -0.02315 0.00176 -0.02137 -0.04031 D37 0.02889 0.00022 -0.00724 0.00411 -0.00309 0.02581 D38 3.10634 0.00051 -0.02243 0.00144 -0.02097 3.08538 D39 3.07559 0.00116 -0.00074 0.00602 0.00534 3.08093 D40 -0.05781 -0.00038 -0.00840 -0.00526 -0.01358 -0.07140 D41 0.00002 0.00094 0.01479 0.00887 0.02363 0.02366 D42 -3.13338 -0.00060 0.00713 -0.00241 0.00471 -3.12867 D43 0.00533 -0.00139 -0.00200 -0.01413 -0.01611 -0.01078 D44 3.08369 -0.00150 -0.00674 -0.01254 -0.01922 3.06447 D45 3.13815 0.00025 0.00624 -0.00207 0.00418 -3.14086 D46 -0.06668 0.00014 0.00150 -0.00049 0.00107 -0.06560 D47 1.44166 0.00171 0.05901 -0.02209 0.03703 1.47869 D48 -0.61352 -0.00194 0.03325 -0.02977 0.00342 -0.61009 D49 -2.70941 0.00150 0.04810 -0.01746 0.03062 -2.67879 D50 -1.63602 0.00182 0.06405 -0.02390 0.04023 -1.59579 D51 2.59199 -0.00183 0.03829 -0.03158 0.00663 2.59861 D52 0.49610 0.00161 0.05313 -0.01927 0.03382 0.52991 D53 -0.44368 0.00050 0.00803 -0.00857 -0.00044 -0.44412 D54 2.72323 0.00066 0.01139 -0.00623 0.00519 2.72843 D55 0.83079 0.00160 -0.03527 0.03167 -0.00350 0.82729 D56 -1.27476 -0.00061 -0.05872 0.02927 -0.02967 -1.30443 D57 2.98456 -0.00012 -0.05237 0.02582 -0.02645 2.95811 Item Value Threshold Converged? Maximum Force 0.007333 0.000450 NO RMS Force 0.001637 0.000300 NO Maximum Displacement 0.201119 0.001800 NO RMS Displacement 0.030084 0.001200 NO Predicted change in Energy=-6.106494D-04 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.989459 -5.043044 2.217628 2 6 0 7.254779 -4.598953 3.639402 3 8 0 6.711294 -6.398566 2.211315 4 7 0 2.763469 -2.119374 0.257461 5 6 0 3.836018 -2.835411 0.715500 6 7 0 5.008377 -2.328933 0.621715 7 6 0 6.078359 -3.040583 1.113006 8 8 0 7.197582 -2.610908 1.119659 9 7 0 5.833465 -4.302663 1.638567 10 6 0 4.581313 -4.816513 1.717920 11 6 0 3.531892 -4.122925 1.260822 12 1 0 7.830991 -4.810349 1.587784 13 1 0 8.125042 -5.121334 4.017704 14 1 0 7.430854 -3.531646 3.663933 15 6 0 1.458604 -2.335617 0.657034 16 1 0 2.948625 -1.221600 -0.139154 17 1 0 4.497229 -5.793636 2.150800 18 6 0 2.105179 -4.568312 1.184592 19 1 0 6.407315 -4.845773 4.269218 20 1 0 6.925079 -6.772157 1.367448 21 8 0 0.595884 -1.565892 0.433597 22 1 0 1.876754 -5.028937 0.230406 23 8 0 1.241907 -3.454884 1.345243 24 1 0 1.850530 -5.269989 1.964400 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.512961 0.000000 3 O 1.383784 2.360809 0.000000 4 N 5.499917 6.144729 6.141201 0.000000 5 C 4.132097 4.831895 4.816716 1.368528 0.000000 6 N 3.719949 4.393830 4.689207 2.283903 1.280524 7 C 2.461736 3.192986 3.589282 3.545290 2.286526 8 O 2.676590 3.210093 3.971718 4.543826 3.393208 9 N 1.489898 2.472096 2.343380 4.012366 2.644746 10 C 2.469856 3.299522 2.698731 3.565397 2.342025 11 C 3.703629 4.443437 4.023752 2.368844 1.430930 12 H 1.076581 2.141458 2.040820 5.889897 4.541043 13 H 2.129777 1.083214 2.625462 7.204003 5.875860 14 H 2.137978 1.082011 3.293494 5.948365 4.701154 15 C 6.352635 6.900207 6.820124 1.381699 2.430084 16 H 6.040380 6.650335 6.817870 0.998792 2.030340 17 H 2.603664 3.353698 2.296015 4.482282 3.353861 18 C 5.014850 5.704858 5.061648 2.700040 2.493751 19 H 2.141688 1.084336 2.595869 6.066717 4.825147 20 H 1.927897 3.161217 0.947304 6.340304 5.046316 21 O 7.493407 7.988587 7.994576 2.244056 3.491362 22 H 5.485345 6.381951 5.401172 3.041800 2.980870 23 O 6.026414 6.536566 6.271327 2.298262 2.740390 24 H 5.150167 5.697529 4.996166 3.697765 3.380693 6 7 8 9 10 6 N 0.000000 7 C 1.375744 0.000000 8 O 2.262758 1.198884 0.000000 9 N 2.368622 1.388897 2.234305 0.000000 10 C 2.751746 2.400208 3.473827 1.355811 0.000000 11 C 2.409746 2.770886 3.967796 2.339282 1.338390 12 H 3.880446 2.535587 2.336212 2.061657 3.252288 13 H 5.389234 4.117731 3.944755 3.403210 4.235556 14 H 4.070626 2.928756 2.715788 2.692253 3.682083 15 C 3.549956 4.695427 5.764172 4.896131 4.126941 16 H 2.459205 3.830384 4.644181 4.579907 4.363232 17 H 3.821458 3.340104 4.299409 2.066618 1.072019 18 C 3.709476 4.257375 5.456025 3.765206 2.545050 19 H 4.647127 3.650836 3.941938 2.746743 3.137557 20 H 4.896131 3.834882 4.177517 2.713582 3.072558 21 O 4.481932 5.717853 6.719014 6.031097 5.300912 22 H 4.153337 4.731387 5.911755 4.262154 3.093940 23 O 3.997194 4.859718 6.019406 4.678374 3.625542 24 H 4.519360 4.854860 6.031191 4.111649 2.779131 11 12 13 14 15 11 C 0.000000 12 H 4.365972 0.000000 13 H 5.449243 2.467325 0.000000 14 H 4.618058 2.470948 1.770356 0.000000 15 C 2.803133 6.899124 7.968421 6.792621 0.000000 16 H 3.273807 6.300708 7.699525 6.315865 2.023638 17 H 2.124903 3.521052 4.135016 4.001541 4.839677 18 C 1.496559 5.745090 6.676159 5.965285 2.383549 19 H 4.223863 3.036148 1.757777 1.772268 6.621065 20 H 4.306219 2.172077 3.344994 4.003819 7.076011 21 O 3.980309 8.012828 9.065054 7.811279 1.177576 22 H 2.149906 6.110908 7.307070 6.699180 2.758774 23 O 2.386930 6.731429 7.569456 6.609485 1.331671 24 H 2.153545 6.009910 6.603610 6.086893 3.236255 16 17 18 19 20 16 H 0.000000 17 H 5.342806 0.000000 18 C 3.696510 2.856024 0.000000 19 H 6.673149 3.005757 5.300969 0.000000 20 H 6.992190 2.732325 5.302999 3.521265 0.000000 21 O 2.445806 6.003590 3.443326 7.696905 8.248393 22 H 3.972567 3.337599 1.083894 6.072194 5.460519 23 O 3.178660 4.088497 1.418017 6.096363 6.580520 24 H 4.692568 2.704435 1.079489 5.124104 5.325778 21 22 23 24 21 O 0.000000 22 H 3.697917 0.000000 23 O 2.194706 2.030649 0.000000 24 H 4.199741 1.750865 2.012059 0.000000 Stoichiometry C8H9N3O4 Framework group C1[X(C8H9N3O4)] Deg. of freedom 66 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 3.030752 -0.270472 -0.078348 2 6 0 3.488779 -0.207944 1.362260 3 8 0 3.278138 -1.537224 -0.577343 4 7 0 -2.333025 0.935283 -0.236906 5 6 0 -0.991900 0.663163 -0.222638 6 7 0 -0.159167 1.635553 -0.250115 7 6 0 1.187059 1.355963 -0.203447 8 8 0 2.027797 2.209671 -0.162657 9 7 0 1.573685 0.022105 -0.183946 10 6 0 0.668714 -0.987260 -0.163108 11 6 0 -0.643341 -0.724232 -0.187956 12 1 0 3.524298 0.486883 -0.663029 13 1 0 4.557285 -0.381190 1.402662 14 1 0 3.261050 0.764663 1.778102 15 6 0 -3.307369 0.057612 0.198339 16 1 0 -2.604455 1.895813 -0.272875 17 1 0 1.069010 -1.981388 -0.136709 18 6 0 -1.770885 -1.705469 -0.262167 19 1 0 2.995120 -0.979845 1.942134 20 1 0 3.377115 -1.504041 -1.518878 21 8 0 -4.417911 0.396534 0.394589 22 1 0 -2.063534 -1.907077 -1.286148 23 8 0 -2.903982 -1.192232 0.418604 24 1 0 -1.529536 -2.646562 0.208355 --------------------------------------------------------------------- Rotational constants (GHZ): 1.4568344 0.3633198 0.3093179 Standard basis: 6-31G(d) (6D, 7F) There are 243 symmetry adapted cartesian basis functions of A symmetry. There are 243 symmetry adapted basis functions of A symmetry. 243 basis functions, 456 primitive gaussians, 243 cartesian basis functions 55 alpha electrons 55 beta electrons nuclear repulsion energy 1027.9615178182 Hartrees. NAtoms= 24 NActive= 24 NUniq= 24 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. One-electron integrals computed using PRISM. NBasis= 243 RedAO= T EigKep= 8.44D-04 NBF= 243 NBsUse= 243 1.00D-06 EigRej= -1.00D+00 NBFU= 243 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 -0.000000 0.000000 Rot= 0.999995 -0.003228 -0.000190 -0.000039 Ang= -0.37 deg. ExpMin= 1.61D-01 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn= 5 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 5 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 5 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -771.026769828 A.U. after 12 cycles NFock= 12 Conv=0.90D-08 -V/T= 2.0016 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 -0.002497241 0.005325781 -0.001973814 2 6 -0.000321903 -0.001482100 -0.000071810 3 8 0.000376649 -0.003295375 0.001014292 4 7 -0.000436810 0.000057703 -0.000467339 5 6 0.000959067 -0.002786177 0.000279975 6 7 0.002192406 -0.002374899 0.001801384 7 6 0.001196696 0.011592735 -0.004853746 8 8 0.000321361 -0.000733336 -0.000757343 9 7 0.000220603 -0.012315174 0.004652049 10 6 0.001249959 0.003179285 0.001192836 11 6 -0.001599848 -0.000149564 -0.000642837 12 1 -0.000030958 0.000691165 -0.000399675 13 1 0.000409036 0.000853469 0.000581737 14 1 0.000388201 -0.000846260 0.000785198 15 6 0.001145496 -0.005339687 0.003119428 16 1 -0.000400179 -0.000322370 0.000265401 17 1 0.000990271 0.000230074 -0.000266965 18 6 0.001435997 0.000033066 -0.001172379 19 1 -0.000303361 0.000483896 0.000611466 20 1 -0.000224637 -0.000307736 -0.000916539 21 8 -0.004380149 0.005692376 -0.001646252 22 1 0.000321476 -0.000261019 -0.000952525 23 8 -0.000280404 0.000458786 -0.000697902 24 1 -0.000731728 0.001615362 0.000515362 ------------------------------------------------------------------- Cartesian Forces: Max 0.012315174 RMS 0.002725328 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.009295489 RMS 0.001434961 Search for a local minimum. Step number 30 out of a maximum of 134 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Update second derivatives using D2CorX and points 29 30 DE= -7.45D-04 DEPred=-6.11D-04 R= 1.22D+00 TightC=F SS= 1.41D+00 RLast= 3.40D-01 DXNew= 9.8721D-01 1.0203D+00 Trust test= 1.22D+00 RLast= 3.40D-01 DXMaxT set to 9.87D-01 ITU= 1 1 -1 -1 1 1 1 0 -1 1 1 0 0 0 0 1 0 0 0 0 ITU= 1 1 1 1 1 1 -1 1 1 0 Use linear search instead of GDIIS. Eigenvalues --- 0.00166 0.00267 0.00493 0.00616 0.01164 Eigenvalues --- 0.01646 0.01746 0.01833 0.01973 0.02133 Eigenvalues --- 0.02236 0.02557 0.02826 0.05631 0.05786 Eigenvalues --- 0.05859 0.06471 0.06968 0.07742 0.07796 Eigenvalues --- 0.08630 0.09330 0.12630 0.12720 0.14731 Eigenvalues --- 0.15817 0.16066 0.16367 0.16582 0.16967 Eigenvalues --- 0.18811 0.20687 0.21786 0.23135 0.24050 Eigenvalues --- 0.24458 0.24646 0.25190 0.26487 0.27997 Eigenvalues --- 0.29598 0.31752 0.33484 0.33766 0.33838 Eigenvalues --- 0.33870 0.33916 0.34202 0.34690 0.35370 Eigenvalues --- 0.38728 0.40987 0.43472 0.44459 0.45617 Eigenvalues --- 0.47642 0.48586 0.49031 0.51422 0.52089 Eigenvalues --- 0.55142 0.59429 0.63982 0.71919 0.89343 Eigenvalues --- 1.21271 RFO step: Lambda=-7.05213012D-04 EMin= 1.66360621D-03 Quartic linear search produced a step of 0.26525. Iteration 1 RMS(Cart)= 0.02482780 RMS(Int)= 0.00056937 Iteration 2 RMS(Cart)= 0.00061127 RMS(Int)= 0.00005565 Iteration 3 RMS(Cart)= 0.00000052 RMS(Int)= 0.00005565 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.85908 0.00153 0.00086 0.00629 0.00715 2.86623 R2 2.61497 0.00350 -0.00078 0.00876 0.00798 2.62295 R3 2.81550 -0.00256 0.00053 -0.01310 -0.01257 2.80293 R4 2.03444 0.00036 0.00004 0.00007 0.00011 2.03455 R5 2.04698 0.00012 -0.00046 -0.00053 -0.00099 2.04599 R6 2.04471 -0.00075 -0.00038 -0.00109 -0.00147 2.04324 R7 2.04910 0.00048 -0.00003 0.00039 0.00035 2.04945 R8 1.79015 0.00089 -0.00012 -0.00065 -0.00077 1.78938 R9 2.58614 0.00242 -0.00064 0.00029 -0.00036 2.58579 R10 2.61103 0.00153 0.00081 0.00474 0.00552 2.61655 R11 1.88744 -0.00047 0.00002 -0.00039 -0.00037 1.88707 R12 2.41984 0.00158 0.00065 0.00433 0.00497 2.42481 R13 2.70407 -0.00167 -0.00186 -0.01033 -0.01220 2.69187 R14 2.59978 -0.00243 0.00016 -0.00703 -0.00687 2.59291 R15 2.26556 0.00003 0.00013 -0.00036 -0.00023 2.26533 R16 2.62464 0.00930 -0.00152 0.01403 0.01252 2.63715 R17 2.56211 -0.00094 0.00026 -0.00291 -0.00265 2.55947 R18 2.52919 0.00192 -0.00010 0.00303 0.00293 2.53212 R19 2.02582 -0.00040 -0.00015 -0.00092 -0.00108 2.02475 R20 2.82809 0.00046 -0.00030 -0.00183 -0.00213 2.82596 R21 2.22530 0.00724 -0.00027 0.00286 0.00259 2.22789 R22 2.51649 -0.00149 0.00033 -0.00347 -0.00316 2.51333 R23 2.04826 0.00088 0.00074 0.00262 0.00336 2.05162 R24 2.67966 0.00092 -0.00100 0.00051 -0.00046 2.67920 R25 2.03994 -0.00051 -0.00047 -0.00206 -0.00253 2.03741 A1 1.90400 -0.00132 -0.00363 -0.00175 -0.00540 1.89860 A2 1.93418 0.00125 0.00144 0.00819 0.00964 1.94381 A3 1.92758 0.00048 -0.00096 -0.00137 -0.00237 1.92521 A4 1.90609 0.00046 0.00217 -0.00433 -0.00214 1.90395 A5 1.94571 0.00021 0.00035 -0.00221 -0.00190 1.94381 A6 1.84595 -0.00101 0.00091 0.00167 0.00257 1.84852 A7 1.90448 0.00099 -0.00011 0.00417 0.00405 1.90854 A8 1.91705 0.00080 -0.00111 0.00095 -0.00016 1.91689 A9 1.91979 0.00052 -0.00027 0.00156 0.00128 1.92108 A10 1.91457 -0.00119 0.00072 -0.00642 -0.00570 1.90887 A11 1.89155 -0.00041 0.00062 0.00235 0.00295 1.89450 A12 1.91616 -0.00073 0.00018 -0.00259 -0.00241 1.91376 A13 1.92305 0.00009 -0.00117 -0.00226 -0.00343 1.91962 A14 2.16695 0.00155 0.00123 0.00477 0.00586 2.17282 A15 2.04645 -0.00049 0.00007 -0.00141 -0.00130 2.04515 A16 2.01594 -0.00101 -0.00065 -0.00640 -0.00700 2.00893 A17 2.07838 -0.00015 0.00085 0.00090 0.00181 2.08019 A18 2.01724 -0.00054 -0.00038 -0.00218 -0.00260 2.01464 A19 2.18753 0.00069 -0.00048 0.00128 0.00077 2.18830 A20 2.07293 0.00193 0.00015 0.00450 0.00458 2.07751 A21 2.14440 0.00146 0.00040 0.00694 0.00735 2.15174 A22 2.05788 -0.00202 0.00024 -0.00417 -0.00394 2.05393 A23 2.08080 0.00056 -0.00064 -0.00277 -0.00340 2.07740 A24 2.05084 0.00021 0.00052 0.00050 0.00101 2.05186 A25 2.10074 0.00126 -0.00013 0.00366 0.00353 2.10426 A26 2.12867 -0.00145 -0.00070 -0.00335 -0.00409 2.12458 A27 2.10337 0.00161 0.00049 0.00413 0.00447 2.10784 A28 2.02809 -0.00176 -0.00069 -0.00626 -0.00705 2.02104 A29 2.15168 0.00014 0.00020 0.00193 0.00202 2.15370 A30 2.01506 -0.00076 0.00017 -0.00204 -0.00190 2.01316 A31 2.03867 -0.00104 0.00064 -0.00166 -0.00104 2.03762 A32 2.22770 0.00180 -0.00086 0.00347 0.00266 2.23036 A33 2.13496 -0.00069 0.00172 0.00031 0.00208 2.13705 A34 2.02047 -0.00150 -0.00133 -0.00408 -0.00553 2.01494 A35 2.12732 0.00219 -0.00043 0.00375 0.00338 2.13070 A36 1.95220 -0.00071 0.00272 0.00517 0.00764 1.95984 A37 1.91869 0.00182 0.00038 0.00442 0.00463 1.92333 A38 1.96226 0.00006 -0.00291 -0.00546 -0.00841 1.95385 A39 1.88087 -0.00006 0.00558 0.01369 0.01912 1.89998 A40 1.88598 0.00068 -0.00123 0.00085 -0.00025 1.88573 A41 1.85973 -0.00187 -0.00442 -0.01903 -0.02353 1.83621 A42 2.09710 -0.00011 0.00053 0.00258 0.00307 2.10018 D1 1.08558 -0.00005 -0.00187 -0.00781 -0.00965 1.07593 D2 -3.09824 -0.00040 -0.00173 -0.01252 -0.01423 -3.11248 D3 -0.98728 -0.00046 -0.00239 -0.01413 -0.01651 -1.00378 D4 -3.09843 0.00045 -0.00061 -0.00919 -0.00980 -3.10823 D5 -0.99907 0.00010 -0.00047 -0.01390 -0.01438 -1.01345 D6 1.11189 0.00004 -0.00113 -0.01551 -0.01665 1.09524 D7 -1.05868 0.00026 0.00080 -0.00298 -0.00219 -1.06087 D8 1.04068 -0.00009 0.00094 -0.00769 -0.00677 1.03391 D9 -3.13154 -0.00015 0.00027 -0.00930 -0.00904 -3.14058 D10 -2.69624 0.00014 -0.04683 0.13255 0.08571 -2.61052 D11 1.47059 -0.00086 -0.04771 0.12627 0.07856 1.54915 D12 -0.56286 -0.00002 -0.05033 0.12818 0.07785 -0.48501 D13 1.44235 0.00114 0.00494 0.04037 0.04532 1.48767 D14 -1.61860 0.00098 0.00962 0.02946 0.03909 -1.57951 D15 -2.74291 0.00057 0.00273 0.04053 0.04326 -2.69965 D16 0.47933 0.00042 0.00741 0.02962 0.03703 0.51636 D17 -0.64700 0.00049 0.00477 0.03657 0.04133 -0.60566 D18 2.57524 0.00033 0.00946 0.02566 0.03510 2.61034 D19 -2.77374 0.00012 -0.00389 -0.00034 -0.00422 -2.77796 D20 0.37633 -0.00013 -0.00114 -0.00069 -0.00183 0.37450 D21 0.00479 0.00001 -0.00196 -0.01164 -0.01362 -0.00883 D22 -3.12833 -0.00025 0.00078 -0.01200 -0.01123 -3.13956 D23 2.90302 -0.00004 -0.00038 -0.02490 -0.02533 2.87768 D24 -0.20747 -0.00032 0.00116 -0.02429 -0.02315 -0.23062 D25 0.11879 -0.00001 -0.00241 -0.01466 -0.01711 0.10168 D26 -2.99170 -0.00029 -0.00087 -0.01406 -0.01492 -3.00662 D27 3.11495 -0.00022 0.00118 0.00258 0.00376 3.11871 D28 -0.03601 0.00006 -0.00186 0.00296 0.00110 -0.03492 D29 -3.13252 0.00057 -0.00070 0.01563 0.01493 -3.11759 D30 0.06792 0.00054 0.00008 0.01928 0.01937 0.08729 D31 0.01815 0.00030 0.00224 0.01525 0.01748 0.03563 D32 -3.06459 0.00027 0.00303 0.01890 0.02192 -3.04267 D33 -3.07985 -0.00091 0.00331 -0.01644 -0.01312 -3.09297 D34 0.04522 -0.00031 0.00341 -0.01632 -0.01291 0.03232 D35 -3.09988 -0.00020 -0.00093 0.00033 -0.00058 -3.10046 D36 -0.04031 0.00010 -0.00567 0.01177 0.00611 -0.03420 D37 0.02581 0.00039 -0.00082 0.00054 -0.00026 0.02554 D38 3.08538 0.00068 -0.00556 0.01198 0.00642 3.09180 D39 3.08093 0.00065 0.00142 0.01890 0.02030 3.10122 D40 -0.07140 -0.00001 -0.00360 -0.00192 -0.00548 -0.07688 D41 0.02366 0.00040 0.00627 0.00730 0.01354 0.03720 D42 -3.12867 -0.00026 0.00125 -0.01353 -0.01223 -3.14090 D43 -0.01078 -0.00059 -0.00427 -0.01975 -0.02404 -0.03482 D44 3.06447 -0.00069 -0.00510 -0.02409 -0.02923 3.03524 D45 -3.14086 0.00014 0.00111 0.00265 0.00381 -3.13704 D46 -0.06560 0.00004 0.00028 -0.00169 -0.00138 -0.06698 D47 1.47869 0.00023 0.00982 0.00974 0.01960 1.49829 D48 -0.61009 -0.00046 0.00091 -0.01375 -0.01289 -0.62298 D49 -2.67879 0.00064 0.00812 0.01068 0.01872 -2.66007 D50 -1.59579 0.00031 0.01067 0.01415 0.02487 -1.57091 D51 2.59861 -0.00038 0.00176 -0.00935 -0.00761 2.59100 D52 0.52991 0.00072 0.00897 0.01508 0.02400 0.55391 D53 -0.44412 0.00095 -0.00012 0.03163 0.03138 -0.41274 D54 2.72843 0.00073 0.00138 0.03230 0.03358 2.76201 D55 0.82729 0.00027 -0.00093 -0.01230 -0.01329 0.81400 D56 -1.30443 0.00007 -0.00787 -0.02993 -0.03806 -1.34248 D57 2.95811 0.00024 -0.00702 -0.02805 -0.03499 2.92312 Item Value Threshold Converged? Maximum Force 0.009295 0.000450 NO RMS Force 0.001435 0.000300 NO Maximum Displacement 0.142942 0.001800 NO RMS Displacement 0.024708 0.001200 NO Predicted change in Energy=-3.971603D-04 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.985051 -5.033282 2.215798 2 6 0 7.247632 -4.619933 3.651312 3 8 0 6.714361 -6.394290 2.185031 4 7 0 2.757226 -2.125066 0.251663 5 6 0 3.831688 -2.837413 0.710408 6 7 0 5.007484 -2.334931 0.603159 7 6 0 6.079778 -3.039970 1.088738 8 8 0 7.203403 -2.622562 1.072552 9 7 0 5.832099 -4.296356 1.643381 10 6 0 4.577363 -4.796739 1.741780 11 6 0 3.527444 -4.112879 1.266964 12 1 0 7.830004 -4.787183 1.595602 13 1 0 8.113836 -5.151275 4.024923 14 1 0 7.431865 -3.555564 3.698674 15 6 0 1.449041 -2.332069 0.655361 16 1 0 2.941019 -1.227513 -0.145590 17 1 0 4.496622 -5.769463 2.183699 18 6 0 2.104374 -4.563794 1.178244 19 1 0 6.394781 -4.870437 4.272668 20 1 0 7.000721 -6.762681 1.361077 21 8 0 0.591940 -1.549443 0.448499 22 1 0 1.886781 -5.057415 0.236079 23 8 0 1.230141 -3.457849 1.328858 24 1 0 1.845346 -5.239893 1.977120 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.516742 0.000000 3 O 1.388008 2.362774 0.000000 4 N 5.494547 6.160009 6.133768 0.000000 5 C 4.126953 4.847161 4.809958 1.368340 0.000000 6 N 3.713821 4.419358 4.679118 2.287194 1.283155 7 C 2.462331 3.229079 3.585529 3.546420 2.288683 8 O 2.676987 3.262123 3.962664 4.548610 3.397907 9 N 1.483246 2.477947 2.339466 4.013256 2.645864 10 C 2.465281 3.287538 2.704700 3.559660 2.336390 11 C 3.701686 4.447698 4.025435 2.361244 1.424476 12 H 1.076639 2.143146 2.043253 5.884396 4.535604 13 H 2.135653 1.082691 2.624656 7.217251 5.888698 14 H 2.140611 1.081234 3.296103 5.981677 4.733577 15 C 6.354442 6.916191 6.823865 1.384619 2.436270 16 H 6.034420 6.668725 6.809222 0.998595 2.029237 17 H 2.595240 3.323155 2.304078 4.476593 3.348080 18 C 5.011781 5.707216 5.061256 2.689268 2.486538 19 H 2.146078 1.084523 2.604321 6.077610 4.836562 20 H 1.929148 3.146031 0.946897 6.383221 5.086635 21 O 7.492153 7.999010 7.998258 2.249122 3.496203 22 H 5.469208 6.371337 5.375052 3.058854 2.989324 23 O 6.032217 6.553962 6.279521 2.295354 2.745081 24 H 5.149391 5.689636 5.008309 3.675714 3.364821 6 7 8 9 10 6 N 0.000000 7 C 1.372108 0.000000 8 O 2.263873 1.198760 0.000000 9 N 2.368383 1.395521 2.237835 0.000000 10 C 2.746263 2.402073 3.474335 1.354411 0.000000 11 C 2.406711 2.774402 3.971337 2.342390 1.339942 12 H 3.868475 2.524472 2.313395 2.057867 3.255939 13 H 5.411995 4.149240 3.992465 3.407191 4.224344 14 H 4.117011 2.984249 2.796284 2.707813 3.676701 15 C 3.558828 4.704537 5.776775 4.903653 4.128111 16 H 2.461154 3.828887 4.647360 4.580018 4.356508 17 H 3.815114 3.339978 4.297010 2.060458 1.071449 18 C 3.704943 4.258390 5.457073 3.766140 2.547059 19 H 4.671047 3.686089 3.993439 2.749423 3.116702 20 H 4.914509 3.844591 4.155107 2.743744 3.143648 21 O 4.487532 5.722582 6.726996 6.035938 5.301047 22 H 4.157579 4.730575 5.907171 4.257376 3.094240 23 O 4.006982 4.873526 6.036825 4.688287 3.628639 24 H 4.508402 4.853792 6.031371 4.110455 2.777712 11 12 13 14 15 11 C 0.000000 12 H 4.367461 0.000000 13 H 5.451569 2.472797 0.000000 14 H 4.633392 2.469476 1.765735 0.000000 15 C 2.804479 6.901329 7.982567 6.822967 0.000000 16 H 3.265661 6.293265 7.716679 6.353415 2.021773 17 H 2.126965 3.524509 4.105666 3.976449 4.841410 18 C 1.495434 5.745166 6.675504 5.979235 2.384002 19 H 4.222532 3.038664 1.759374 1.770284 6.632388 20 H 4.369663 2.155297 3.306317 3.991972 7.137892 21 O 3.982245 8.011765 9.074301 7.834076 1.178948 22 H 2.155608 6.102724 7.289744 6.707688 2.791939 23 O 2.389664 6.737691 7.584307 6.639801 1.329999 24 H 2.145678 6.013870 6.595098 6.083577 3.218625 16 17 18 19 20 16 H 0.000000 17 H 5.336179 0.000000 18 C 3.685551 2.861368 0.000000 19 H 6.687329 2.962270 5.298781 0.000000 20 H 7.027753 2.816682 5.370543 3.524927 0.000000 21 O 2.444331 6.005500 3.450551 7.702353 8.311625 22 H 3.990644 3.333393 1.085672 6.054014 5.506899 23 O 3.174193 4.091969 1.417774 6.110231 6.650003 24 H 4.669646 2.711528 1.078150 5.109148 5.410755 21 22 23 24 21 O 0.000000 22 H 3.745344 0.000000 23 O 2.196440 2.045472 0.000000 24 H 4.186542 1.751068 1.993590 0.000000 Stoichiometry C8H9N3O4 Framework group C1[X(C8H9N3O4)] Deg. of freedom 66 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 3.027069 -0.264132 -0.068434 2 6 0 3.494679 -0.251311 1.374370 3 8 0 3.277720 -1.518032 -0.608317 4 7 0 -2.333529 0.930536 -0.232160 5 6 0 -0.991869 0.662094 -0.216714 6 7 0 -0.158278 1.637211 -0.244308 7 6 0 1.185976 1.365533 -0.201276 8 8 0 2.028825 2.217524 -0.174042 9 7 0 1.575951 0.025998 -0.168939 10 6 0 0.668920 -0.979426 -0.139843 11 6 0 -0.644739 -0.719051 -0.183979 12 1 0 3.522443 0.510411 -0.628648 13 1 0 4.561538 -0.432819 1.407358 14 1 0 3.280468 0.709859 1.820837 15 6 0 -3.313909 0.052308 0.197657 16 1 0 -2.606297 1.890836 -0.256947 17 1 0 1.073062 -1.971439 -0.115693 18 6 0 -1.770101 -1.698476 -0.286990 19 1 0 2.994202 -1.033407 1.934761 20 1 0 3.446686 -1.442671 -1.536964 21 8 0 -4.420172 0.396726 0.415546 22 1 0 -2.035633 -1.913758 -1.317441 23 8 0 -2.914355 -1.202040 0.387041 24 1 0 -1.537784 -2.631891 0.200015 --------------------------------------------------------------------- Rotational constants (GHZ): 1.4541273 0.3623632 0.3088722 Standard basis: 6-31G(d) (6D, 7F) There are 243 symmetry adapted cartesian basis functions of A symmetry. There are 243 symmetry adapted basis functions of A symmetry. 243 basis functions, 456 primitive gaussians, 243 cartesian basis functions 55 alpha electrons 55 beta electrons nuclear repulsion energy 1027.3079591935 Hartrees. NAtoms= 24 NActive= 24 NUniq= 24 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. One-electron integrals computed using PRISM. NBasis= 243 RedAO= T EigKep= 8.42D-04 NBF= 243 NBsUse= 243 1.00D-06 EigRej= -1.00D+00 NBFU= 243 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 -0.000000 -0.000000 Rot= 0.999989 -0.004722 0.000140 -0.000030 Ang= -0.54 deg. ExpMin= 1.61D-01 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn= 5 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 5 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 5 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -771.027019163 A.U. after 13 cycles NFock= 13 Conv=0.47D-08 -V/T= 2.0016 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 -0.000439518 0.000979288 0.001308255 2 6 -0.001531803 -0.000492097 -0.002125407 3 8 0.001336675 -0.001604258 0.000862192 4 7 -0.002068691 0.002722852 -0.001382330 5 6 0.003206800 -0.000060519 -0.001670538 6 7 -0.000739495 -0.000570307 0.001050856 7 6 0.001501243 0.006833309 -0.002584420 8 8 -0.000411171 -0.000193464 -0.000836222 9 7 -0.001018874 -0.005448638 0.003509461 10 6 0.001954772 0.000156516 -0.001161349 11 6 -0.000578516 -0.002196578 0.000389214 12 1 -0.000520655 0.000781681 -0.000275218 13 1 0.000340552 0.000063489 0.000244013 14 1 0.000096543 0.000330905 0.000676860 15 6 0.002349779 -0.004093580 0.002976990 16 1 0.000066810 -0.000121792 0.000088008 17 1 0.000145832 -0.000217758 0.000287473 18 6 0.000111106 -0.002185028 0.004440644 19 1 -0.000056066 0.000253154 0.000595335 20 1 -0.001077620 -0.000560920 -0.001250743 21 8 -0.001690517 0.003252617 -0.001554252 22 1 -0.000047225 0.002523370 -0.000429847 23 8 -0.000816886 0.000989204 -0.003301469 24 1 -0.000113075 -0.001141445 0.000142493 ------------------------------------------------------------------- Cartesian Forces: Max 0.006833309 RMS 0.001867497 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.006508058 RMS 0.000994685 Search for a local minimum. Step number 31 out of a maximum of 134 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Update second derivatives using D2CorX and points 29 30 31 DE= -2.49D-04 DEPred=-3.97D-04 R= 6.28D-01 TightC=F SS= 1.41D+00 RLast= 2.15D-01 DXNew= 1.6603D+00 6.4487D-01 Trust test= 6.28D-01 RLast= 2.15D-01 DXMaxT set to 9.87D-01 ITU= 1 1 1 -1 -1 1 1 1 0 -1 1 1 0 0 0 0 1 0 0 0 ITU= 0 1 1 1 1 1 1 -1 1 1 0 Use linear search instead of GDIIS. Eigenvalues --- 0.00150 0.00269 0.00522 0.00636 0.01061 Eigenvalues --- 0.01648 0.01745 0.01840 0.01968 0.02119 Eigenvalues --- 0.02247 0.02569 0.02897 0.05640 0.05822 Eigenvalues --- 0.05952 0.06947 0.07612 0.07788 0.08430 Eigenvalues --- 0.08639 0.10130 0.12678 0.12789 0.14704 Eigenvalues --- 0.15832 0.16109 0.16284 0.16653 0.17033 Eigenvalues --- 0.18457 0.20697 0.21862 0.23256 0.24221 Eigenvalues --- 0.24305 0.24555 0.25469 0.26507 0.28011 Eigenvalues --- 0.28920 0.31001 0.33568 0.33776 0.33846 Eigenvalues --- 0.33879 0.34036 0.34302 0.34849 0.35830 Eigenvalues --- 0.38691 0.41044 0.43469 0.44420 0.45620 Eigenvalues --- 0.47597 0.48592 0.48984 0.51435 0.51547 Eigenvalues --- 0.54986 0.59093 0.62432 0.73222 0.89051 Eigenvalues --- 1.14570 RFO step: Lambda=-8.39760217D-04 EMin= 1.50439711D-03 Quartic linear search produced a step of -0.25839. Iteration 1 RMS(Cart)= 0.04283172 RMS(Int)= 0.01340917 Iteration 2 RMS(Cart)= 0.01246894 RMS(Int)= 0.00054363 Iteration 3 RMS(Cart)= 0.00052908 RMS(Int)= 0.00001723 Iteration 4 RMS(Cart)= 0.00000064 RMS(Int)= 0.00001722 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.86623 -0.00073 -0.00185 0.00057 -0.00127 2.86496 R2 2.62295 0.00208 -0.00206 0.00016 -0.00190 2.62105 R3 2.80293 -0.00130 0.00325 -0.00361 -0.00036 2.80257 R4 2.03455 -0.00007 -0.00003 -0.00088 -0.00091 2.03364 R5 2.04599 0.00033 0.00026 -0.00104 -0.00078 2.04521 R6 2.04324 0.00037 0.00038 0.00016 0.00054 2.04377 R7 2.04945 0.00033 -0.00009 0.00059 0.00050 2.04995 R8 1.78938 0.00098 0.00020 0.00169 0.00189 1.79126 R9 2.58579 0.00189 0.00009 0.00040 0.00050 2.58629 R10 2.61655 -0.00060 -0.00143 0.00165 0.00023 2.61678 R11 1.88707 -0.00013 0.00010 -0.00024 -0.00014 1.88693 R12 2.42481 -0.00112 -0.00128 0.00174 0.00046 2.42527 R13 2.69187 0.00273 0.00315 -0.00251 0.00065 2.69252 R14 2.59291 -0.00120 0.00178 -0.00399 -0.00221 2.59069 R15 2.26533 -0.00044 0.00006 -0.00108 -0.00102 2.26431 R16 2.63715 0.00651 -0.00323 0.01284 0.00960 2.64675 R17 2.55947 -0.00115 0.00068 -0.00182 -0.00114 2.55833 R18 2.53212 0.00074 -0.00076 0.00194 0.00118 2.53330 R19 2.02475 0.00031 0.00028 0.00074 0.00102 2.02577 R20 2.82596 0.00096 0.00055 0.00055 0.00110 2.82706 R21 2.22789 0.00366 -0.00067 0.00186 0.00119 2.22908 R22 2.51333 -0.00037 0.00082 -0.00315 -0.00233 2.51100 R23 2.05162 -0.00076 -0.00087 0.00073 -0.00014 2.05148 R24 2.67920 0.00127 0.00012 0.00037 0.00047 2.67968 R25 2.03741 0.00085 0.00065 -0.00041 0.00024 2.03765 A1 1.89860 -0.00005 0.00139 -0.01386 -0.01248 1.88612 A2 1.94381 -0.00052 -0.00249 0.00387 0.00141 1.94522 A3 1.92521 0.00068 0.00061 -0.00029 0.00032 1.92552 A4 1.90395 0.00063 0.00055 0.01202 0.01257 1.91652 A5 1.94381 -0.00000 0.00049 0.00063 0.00109 1.94490 A6 1.84852 -0.00075 -0.00066 -0.00163 -0.00230 1.84622 A7 1.90854 0.00005 -0.00105 0.00310 0.00205 1.91059 A8 1.91689 0.00076 0.00004 -0.00179 -0.00175 1.91515 A9 1.92108 0.00062 -0.00033 0.00430 0.00396 1.92504 A10 1.90887 -0.00047 0.00147 -0.00301 -0.00154 1.90733 A11 1.89450 -0.00029 -0.00076 0.00159 0.00082 1.89532 A12 1.91376 -0.00068 0.00062 -0.00417 -0.00354 1.91021 A13 1.91962 0.00086 0.00089 -0.00178 -0.00089 1.91873 A14 2.17282 -0.00029 -0.00151 0.00271 0.00121 2.17402 A15 2.04515 0.00009 0.00034 -0.00064 -0.00030 2.04485 A16 2.00893 0.00025 0.00181 -0.00267 -0.00087 2.00806 A17 2.08019 -0.00115 -0.00047 -0.00105 -0.00152 2.07867 A18 2.01464 0.00025 0.00067 -0.00039 0.00029 2.01492 A19 2.18830 0.00090 -0.00020 0.00145 0.00126 2.18956 A20 2.07751 0.00042 -0.00118 0.00383 0.00265 2.08017 A21 2.15174 0.00007 -0.00190 0.00346 0.00156 2.15331 A22 2.05393 -0.00089 0.00102 -0.00401 -0.00299 2.05095 A23 2.07740 0.00083 0.00088 0.00057 0.00144 2.07884 A24 2.05186 0.00039 -0.00026 0.00547 0.00517 2.05703 A25 2.10426 -0.00039 -0.00091 -0.00351 -0.00445 2.09982 A26 2.12458 0.00001 0.00106 -0.00280 -0.00177 2.12281 A27 2.10784 0.00002 -0.00116 0.00451 0.00339 2.11122 A28 2.02104 -0.00019 0.00182 -0.00515 -0.00330 2.01773 A29 2.15370 0.00018 -0.00052 0.00039 -0.00011 2.15359 A30 2.01316 -0.00045 0.00049 -0.00330 -0.00280 2.01036 A31 2.03762 -0.00070 0.00027 0.00053 0.00078 2.03841 A32 2.23036 0.00115 -0.00069 0.00239 0.00169 2.23206 A33 2.13705 -0.00205 -0.00054 -0.00279 -0.00332 2.13373 A34 2.01494 0.00069 0.00143 0.00034 0.00176 2.01671 A35 2.13070 0.00138 -0.00087 0.00249 0.00162 2.13232 A36 1.95984 -0.00080 -0.00197 -0.00077 -0.00268 1.95716 A37 1.92333 0.00034 -0.00120 0.00516 0.00396 1.92728 A38 1.95385 0.00071 0.00217 -0.00063 0.00155 1.95540 A39 1.89998 -0.00169 -0.00494 0.00131 -0.00358 1.89640 A40 1.88573 0.00059 0.00006 0.00089 0.00093 1.88666 A41 1.83621 0.00090 0.00608 -0.00631 -0.00021 1.83600 A42 2.10018 0.00071 -0.00079 0.00510 0.00426 2.10443 D1 1.07593 0.00005 0.00249 -0.00933 -0.00683 1.06910 D2 -3.11248 -0.00003 0.00368 -0.01221 -0.00852 -3.12100 D3 -1.00378 0.00000 0.00426 -0.01578 -0.01152 -1.01530 D4 -3.10823 0.00048 0.00253 -0.00104 0.00149 -3.10674 D5 -1.01345 0.00039 0.00372 -0.00392 -0.00020 -1.01365 D6 1.09524 0.00043 0.00430 -0.00749 -0.00320 1.09204 D7 -1.06087 -0.00034 0.00057 -0.00085 -0.00029 -1.06116 D8 1.03391 -0.00043 0.00175 -0.00373 -0.00198 1.03193 D9 -3.14058 -0.00039 0.00234 -0.00731 -0.00498 3.13762 D10 -2.61052 -0.00113 -0.02215 -0.25740 -0.27958 -2.89010 D11 1.54915 -0.00085 -0.02030 -0.26095 -0.28122 1.26793 D12 -0.48501 -0.00031 -0.02012 -0.26667 -0.28679 -0.77180 D13 1.48767 0.00038 -0.01171 0.06821 0.05648 1.54415 D14 -1.57951 0.00022 -0.01010 0.08084 0.07073 -1.50878 D15 -2.69965 0.00041 -0.01118 0.06124 0.05006 -2.64959 D16 0.51636 0.00025 -0.00957 0.07387 0.06431 0.58067 D17 -0.60566 0.00031 -0.01068 0.06742 0.05674 -0.54892 D18 2.61034 0.00015 -0.00907 0.08005 0.07099 2.68133 D19 -2.77796 -0.00011 0.00109 -0.00428 -0.00319 -2.78115 D20 0.37450 -0.00036 0.00047 -0.00616 -0.00569 0.36881 D21 -0.00883 0.00011 0.00352 -0.00679 -0.00327 -0.01210 D22 -3.13956 -0.00014 0.00290 -0.00867 -0.00576 3.13786 D23 2.87768 0.00051 0.00655 -0.00889 -0.00232 2.87536 D24 -0.23062 -0.00005 0.00598 -0.01053 -0.00454 -0.23516 D25 0.10168 0.00032 0.00442 -0.00678 -0.00235 0.09934 D26 -3.00662 -0.00023 0.00386 -0.00842 -0.00456 -3.01118 D27 3.11871 -0.00012 -0.00097 -0.00049 -0.00147 3.11724 D28 -0.03492 0.00015 -0.00028 0.00158 0.00129 -0.03363 D29 -3.11759 -0.00017 -0.00386 0.00212 -0.00174 -3.11933 D30 0.08729 -0.00023 -0.00500 0.00796 0.00295 0.09023 D31 0.03563 -0.00042 -0.00452 0.00012 -0.00440 0.03123 D32 -3.04267 -0.00048 -0.00566 0.00596 0.00029 -3.04239 D33 -3.09297 -0.00053 0.00339 0.00138 0.00480 -3.08817 D34 0.03232 0.00001 0.00333 0.00291 0.00625 0.03857 D35 -3.10046 -0.00009 0.00015 0.00320 0.00338 -3.09708 D36 -0.03420 0.00005 -0.00158 -0.00961 -0.01118 -0.04538 D37 0.02554 0.00042 0.00007 0.00469 0.00478 0.03032 D38 3.09180 0.00056 -0.00166 -0.00812 -0.00978 3.08202 D39 3.10122 -0.00014 -0.00524 -0.00085 -0.00604 3.09518 D40 -0.07688 0.00027 0.00142 -0.00823 -0.00679 -0.08367 D41 0.03720 -0.00032 -0.00350 0.01196 0.00846 0.04566 D42 -3.14090 0.00009 0.00316 0.00457 0.00771 -3.13319 D43 -0.03482 0.00048 0.00621 -0.00696 -0.00075 -0.03557 D44 3.03524 0.00046 0.00755 -0.01368 -0.00612 3.02912 D45 -3.13704 0.00005 -0.00099 0.00110 0.00012 -3.13693 D46 -0.06698 0.00003 0.00036 -0.00561 -0.00525 -0.07223 D47 1.49829 -0.00121 -0.00506 0.00965 0.00457 1.50286 D48 -0.62298 0.00126 0.00333 0.00485 0.00819 -0.61479 D49 -2.66007 -0.00051 -0.00484 0.00979 0.00497 -2.65511 D50 -1.57091 -0.00120 -0.00643 0.01658 0.01014 -1.56077 D51 2.59100 0.00127 0.00197 0.01178 0.01376 2.60477 D52 0.55391 -0.00050 -0.00620 0.01672 0.01053 0.56445 D53 -0.41274 0.00092 -0.00811 0.02530 0.01723 -0.39551 D54 2.76201 0.00044 -0.00868 0.02377 0.01512 2.77713 D55 0.81400 -0.00117 0.00343 -0.02239 -0.01895 0.79505 D56 -1.34248 0.00074 0.00983 -0.02569 -0.01579 -1.35827 D57 2.92312 0.00038 0.00904 -0.02411 -0.01509 2.90803 Item Value Threshold Converged? Maximum Force 0.006508 0.000450 NO RMS Force 0.000995 0.000300 NO Maximum Displacement 0.269213 0.001800 NO RMS Displacement 0.048269 0.001200 NO Predicted change in Energy=-5.514799D-04 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 7.003454 -5.019311 2.217143 2 6 0 7.218010 -4.646691 3.670960 3 8 0 6.775850 -6.385981 2.152453 4 7 0 2.762445 -2.140581 0.235237 5 6 0 3.840475 -2.845722 0.697523 6 7 0 5.015025 -2.344058 0.571515 7 6 0 6.093283 -3.035713 1.059817 8 8 0 7.214714 -2.614678 1.030527 9 7 0 5.851123 -4.289779 1.634588 10 6 0 4.596921 -4.784725 1.756258 11 6 0 3.540212 -4.110373 1.281143 12 1 0 7.858034 -4.734644 1.628271 13 1 0 8.085403 -5.169167 4.053020 14 1 0 7.377791 -3.580331 3.754804 15 6 0 1.456345 -2.341298 0.649154 16 1 0 2.943388 -1.248835 -0.175966 17 1 0 4.522283 -5.749485 2.217593 18 6 0 2.116410 -4.564232 1.211434 19 1 0 6.354679 -4.930216 4.263441 20 1 0 6.858259 -6.685312 1.256845 21 8 0 0.600866 -1.557731 0.435654 22 1 0 1.896532 -5.080100 0.281889 23 8 0 1.237792 -3.458106 1.335147 24 1 0 1.860706 -5.220932 2.027551 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.516069 0.000000 3 O 1.387002 2.350851 0.000000 4 N 5.495561 6.159289 6.148703 0.000000 5 C 4.127732 4.846912 4.823555 1.368605 0.000000 6 N 3.717381 4.445427 4.683696 2.286614 1.283399 7 C 2.470319 3.267771 3.589435 3.546219 2.289649 8 O 2.689786 3.331813 3.959046 4.547522 3.398494 9 N 1.483056 2.478423 2.348907 4.014619 2.646903 10 C 2.461472 3.248884 2.732897 3.559536 2.335136 11 C 3.700853 4.418717 4.050547 2.361974 1.424821 12 H 1.076156 2.142416 2.042744 5.885128 4.535978 13 H 2.136239 1.082277 2.609161 7.216764 5.888733 14 H 2.138971 1.081519 3.286569 5.980105 4.732782 15 C 6.356160 6.902387 6.849563 1.384742 2.437388 16 H 6.035527 6.679570 6.819059 0.998519 2.029235 17 H 2.586380 3.255054 2.342634 4.477829 3.347733 18 C 5.010164 5.664132 5.090644 2.691543 2.487927 19 H 2.148531 1.084786 2.598636 6.075577 4.835505 20 H 1.928422 3.180150 0.947895 6.202738 4.915518 21 O 7.493288 7.987207 8.024327 2.247733 3.496079 22 H 5.461643 6.323905 5.386286 3.064760 2.990671 23 O 6.038057 6.529300 6.317477 2.295700 2.748734 24 H 5.150189 5.633050 5.052878 3.676150 3.366019 6 7 8 9 10 6 N 0.000000 7 C 1.370936 0.000000 8 O 2.263307 1.198223 0.000000 9 N 2.369602 1.400601 2.242819 0.000000 10 C 2.745047 2.404822 3.476871 1.353808 0.000000 11 C 2.408011 2.778858 3.975158 2.344658 1.340567 12 H 3.861908 2.514727 2.294649 2.055635 3.264008 13 H 5.434091 4.180842 4.052034 3.407953 4.194332 14 H 4.152634 3.034721 2.894956 2.707277 3.630150 15 C 3.559528 4.706597 5.777457 4.907315 4.130283 16 H 2.459658 3.826477 4.643854 4.580433 4.355476 17 H 3.814355 3.342610 4.299457 2.058264 1.071990 18 C 3.706837 4.263200 5.461336 3.768615 2.549193 19 H 4.702468 3.731042 4.068552 2.752199 3.065428 20 H 4.765887 3.734111 4.092474 2.625946 2.995880 21 O 4.485707 5.721945 6.724136 6.038769 5.303389 22 H 4.158703 4.732589 5.909469 4.253609 3.090810 23 O 4.011449 4.881599 6.043820 4.697250 3.636069 24 H 4.510673 4.860699 6.037551 4.116417 2.784016 11 12 13 14 15 11 C 0.000000 12 H 4.376506 0.000000 13 H 5.427994 2.473846 0.000000 14 H 4.596408 2.466823 1.764666 0.000000 15 C 2.805626 6.904231 7.970419 6.800279 0.000000 16 H 3.266154 6.289664 7.726166 6.367948 2.021286 17 H 2.127931 3.536161 4.049863 3.901560 4.845175 18 C 1.496014 5.759256 6.638482 5.926122 2.386060 19 H 4.181803 3.040139 1.759768 1.768519 6.615078 20 H 4.200041 2.223199 3.409278 4.018784 6.958479 21 O 3.983791 8.011342 9.063449 7.812451 1.179577 22 H 2.154196 6.121404 7.247861 6.659928 2.798158 23 O 2.393638 6.748560 7.563355 6.600702 1.328764 24 H 2.147371 6.030243 6.546148 6.009426 3.218040 16 17 18 19 20 16 H 0.000000 17 H 5.336467 0.000000 18 C 3.687903 2.864508 0.000000 19 H 6.700582 2.866073 5.235610 0.000000 20 H 6.850872 2.693621 5.194822 3.517610 0.000000 21 O 2.440678 6.010293 3.455107 7.689732 8.131508 22 H 3.998016 3.330104 1.085596 5.979155 5.305278 23 O 3.173862 4.100854 1.418023 6.076557 6.481562 24 H 4.669608 2.720197 1.078279 5.027874 5.264402 21 22 23 24 21 O 0.000000 22 H 3.756259 0.000000 23 O 2.196859 2.043076 0.000000 24 H 4.188123 1.751700 1.993740 0.000000 Stoichiometry C8H9N3O4 Framework group C1[X(C8H9N3O4)] Deg. of freedom 66 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 3.030738 -0.252304 -0.059035 2 6 0 3.474122 -0.333712 1.388462 3 8 0 3.311969 -1.468278 -0.664089 4 7 0 -2.334161 0.926960 -0.227516 5 6 0 -0.991309 0.663218 -0.211104 6 7 0 -0.162518 1.642876 -0.233195 7 6 0 1.182549 1.381748 -0.187679 8 8 0 2.019462 2.238454 -0.150661 9 7 0 1.580564 0.039056 -0.166549 10 6 0 0.677178 -0.968840 -0.137631 11 6 0 -0.638815 -0.716974 -0.180589 12 1 0 3.530218 0.559993 -0.557840 13 1 0 4.540830 -0.511963 1.429493 14 1 0 3.247746 0.596014 1.892492 15 6 0 -3.313543 0.043048 0.193225 16 1 0 -2.610056 1.886435 -0.245667 17 1 0 1.087985 -1.958738 -0.115204 18 6 0 -1.759580 -1.701782 -0.290564 19 1 0 2.967391 -1.150141 1.891878 20 1 0 3.255620 -1.381134 -1.606285 21 8 0 -4.420319 0.387361 0.412080 22 1 0 -2.014914 -1.917286 -1.323464 23 8 0 -2.915091 -1.212226 0.369678 24 1 0 -1.528202 -2.634322 0.198844 --------------------------------------------------------------------- Rotational constants (GHZ): 1.4468029 0.3621475 0.3088718 Standard basis: 6-31G(d) (6D, 7F) There are 243 symmetry adapted cartesian basis functions of A symmetry. There are 243 symmetry adapted basis functions of A symmetry. 243 basis functions, 456 primitive gaussians, 243 cartesian basis functions 55 alpha electrons 55 beta electrons nuclear repulsion energy 1026.8830372724 Hartrees. NAtoms= 24 NActive= 24 NUniq= 24 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. One-electron integrals computed using PRISM. NBasis= 243 RedAO= T EigKep= 8.41D-04 NBF= 243 NBsUse= 243 1.00D-06 EigRej= -1.00D+00 NBFU= 243 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 0.000000 0.000000 Rot= 0.999958 -0.009129 0.000315 -0.000700 Ang= -1.05 deg. ExpMin= 1.61D-01 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn= 5 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 5 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 5 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -771.027264393 A.U. after 13 cycles NFock= 13 Conv=0.68D-08 -V/T= 2.0016 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 0.000822579 0.001194907 0.002017156 2 6 -0.001122417 0.000344126 -0.001741854 3 8 -0.002680634 -0.000832292 -0.000578291 4 7 -0.001421468 0.001968151 -0.001055558 5 6 0.002768772 0.000745821 -0.001771426 6 7 -0.001453268 -0.000341097 0.000827472 7 6 0.002302067 0.004314385 -0.001687275 8 8 -0.001297840 -0.000504884 -0.000569154 9 7 -0.000468817 -0.003784974 0.003013334 10 6 0.000683852 -0.000123222 -0.001011035 11 6 0.000113257 -0.002208261 0.000635625 12 1 -0.000492231 0.000648733 -0.000766429 13 1 0.000420227 -0.000127517 0.000280364 14 1 0.000276311 0.000401213 0.000599697 15 6 0.001973798 -0.002495517 0.001871208 16 1 0.000112698 -0.000047532 0.000047438 17 1 -0.000174783 -0.000259789 0.000364681 18 6 -0.000083498 -0.002138291 0.003754308 19 1 0.000046702 0.000065326 0.000286578 20 1 0.001425791 -0.000731604 -0.000866413 21 8 -0.001244066 0.002083076 -0.001079097 22 1 -0.000027095 0.002199665 -0.000365018 23 8 -0.000503223 0.000680746 -0.002305238 24 1 0.000023286 -0.001051168 0.000098927 ------------------------------------------------------------------- Cartesian Forces: Max 0.004314385 RMS 0.001475596 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.003982788 RMS 0.000768297 Search for a local minimum. Step number 32 out of a maximum of 134 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swapping is turned off. Update second derivatives using D2CorX and points 30 31 32 DE= -2.45D-04 DEPred=-5.51D-04 R= 4.45D-01 Trust test= 4.45D-01 RLast= 5.16D-01 DXMaxT set to 9.87D-01 ITU= 0 1 1 1 -1 -1 1 1 1 0 -1 1 1 0 0 0 0 1 0 0 ITU= 0 0 1 1 1 1 1 1 -1 1 1 0 Eigenvalues --- 0.00265 0.00383 0.00524 0.00736 0.00850 Eigenvalues --- 0.01652 0.01742 0.01839 0.01961 0.02102 Eigenvalues --- 0.02243 0.02568 0.02903 0.05635 0.05787 Eigenvalues --- 0.05953 0.06919 0.07577 0.07777 0.08430 Eigenvalues --- 0.08637 0.10544 0.12599 0.12812 0.14568 Eigenvalues --- 0.15754 0.16058 0.16129 0.16681 0.17016 Eigenvalues --- 0.18066 0.20807 0.21467 0.22805 0.23420 Eigenvalues --- 0.24304 0.24516 0.25064 0.26302 0.27668 Eigenvalues --- 0.28395 0.30852 0.33575 0.33752 0.33840 Eigenvalues --- 0.33881 0.34050 0.34274 0.34913 0.35853 Eigenvalues --- 0.38656 0.41055 0.43525 0.44345 0.45619 Eigenvalues --- 0.46979 0.48630 0.48775 0.49930 0.51455 Eigenvalues --- 0.54056 0.58183 0.60377 0.73477 0.88801 Eigenvalues --- 1.09231 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 32 31 RFO step: Lambda=-4.80241368D-04. DidBck=T Rises=F RFO-DIIS coefs: 0.63551 0.36449 Iteration 1 RMS(Cart)= 0.01999723 RMS(Int)= 0.00104602 Iteration 2 RMS(Cart)= 0.00100931 RMS(Int)= 0.00000932 Iteration 3 RMS(Cart)= 0.00000235 RMS(Int)= 0.00000920 Iteration 4 RMS(Cart)= 0.00000000 RMS(Int)= 0.00000920 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.86496 -0.00044 0.00046 -0.00029 0.00018 2.86513 R2 2.62105 0.00181 0.00069 0.00494 0.00563 2.62669 R3 2.80257 -0.00179 0.00013 -0.00677 -0.00664 2.79593 R4 2.03364 0.00020 0.00033 -0.00036 -0.00002 2.03362 R5 2.04521 0.00050 0.00029 0.00059 0.00087 2.04608 R6 2.04377 0.00048 -0.00020 0.00110 0.00091 2.04468 R7 2.04995 0.00010 -0.00018 0.00043 0.00025 2.05019 R8 1.79126 0.00117 -0.00069 0.00054 -0.00014 1.79112 R9 2.58629 0.00112 -0.00018 0.00175 0.00157 2.58786 R10 2.61678 -0.00055 -0.00008 0.00080 0.00071 2.61749 R11 1.88693 -0.00004 0.00005 -0.00022 -0.00016 1.88676 R12 2.42527 -0.00149 -0.00017 -0.00016 -0.00033 2.42494 R13 2.69252 0.00269 -0.00024 0.00148 0.00124 2.69376 R14 2.59069 -0.00049 0.00081 -0.00326 -0.00245 2.58824 R15 2.26431 -0.00138 0.00037 -0.00196 -0.00159 2.26273 R16 2.64675 0.00398 -0.00350 0.01193 0.00843 2.65518 R17 2.55833 -0.00039 0.00042 -0.00194 -0.00152 2.55681 R18 2.53330 -0.00025 -0.00043 0.00108 0.00065 2.53396 R19 2.02577 0.00040 -0.00037 0.00065 0.00028 2.02605 R20 2.82706 0.00061 -0.00040 0.00047 0.00007 2.82712 R21 2.22908 0.00248 -0.00043 0.00261 0.00217 2.23125 R22 2.51100 0.00011 0.00085 -0.00310 -0.00225 2.50875 R23 2.05148 -0.00073 0.00005 -0.00044 -0.00039 2.05109 R24 2.67968 0.00101 -0.00017 0.00279 0.00262 2.68230 R25 2.03765 0.00071 -0.00009 0.00018 0.00009 2.03775 A1 1.88612 0.00124 0.00455 0.00123 0.00578 1.89190 A2 1.94522 -0.00040 -0.00051 0.00010 -0.00042 1.94480 A3 1.92552 0.00015 -0.00012 0.00096 0.00084 1.92636 A4 1.91652 -0.00090 -0.00458 -0.00050 -0.00509 1.91143 A5 1.94490 -0.00011 -0.00040 0.00100 0.00059 1.94549 A6 1.84622 -0.00005 0.00084 -0.00283 -0.00199 1.84423 A7 1.91059 -0.00003 -0.00075 0.00249 0.00174 1.91233 A8 1.91515 0.00077 0.00064 0.00212 0.00276 1.91791 A9 1.92504 0.00027 -0.00144 0.00325 0.00180 1.92684 A10 1.90733 -0.00043 0.00056 -0.00401 -0.00345 1.90388 A11 1.89532 -0.00019 -0.00030 -0.00058 -0.00088 1.89444 A12 1.91021 -0.00041 0.00129 -0.00337 -0.00209 1.90813 A13 1.91873 0.00024 0.00032 0.00117 0.00149 1.92022 A14 2.17402 -0.00043 -0.00044 -0.00050 -0.00096 2.17306 A15 2.04485 0.00013 0.00011 -0.00111 -0.00101 2.04384 A16 2.00806 0.00033 0.00032 -0.00131 -0.00100 2.00707 A17 2.07867 -0.00089 0.00055 -0.00167 -0.00112 2.07755 A18 2.01492 0.00029 -0.00010 0.00005 -0.00006 2.01486 A19 2.18956 0.00061 -0.00046 0.00167 0.00120 2.19076 A20 2.08017 0.00022 -0.00097 0.00257 0.00158 2.08175 A21 2.15331 0.00003 -0.00057 0.00363 0.00307 2.15638 A22 2.05095 -0.00064 0.00109 -0.00327 -0.00221 2.04874 A23 2.07884 0.00061 -0.00053 -0.00035 -0.00086 2.07797 A24 2.05703 0.00033 -0.00189 0.00278 0.00088 2.05792 A25 2.09982 -0.00056 0.00162 -0.00168 -0.00007 2.09974 A26 2.12281 0.00024 0.00064 -0.00037 0.00024 2.12305 A27 2.11122 -0.00024 -0.00123 0.00200 0.00076 2.11198 A28 2.01773 0.00026 0.00120 -0.00172 -0.00051 2.01722 A29 2.15359 0.00000 0.00004 -0.00033 -0.00029 2.15330 A30 2.01036 -0.00017 0.00102 -0.00217 -0.00115 2.00920 A31 2.03841 -0.00038 -0.00029 -0.00171 -0.00200 2.03641 A32 2.23206 0.00056 -0.00062 0.00377 0.00316 2.23522 A33 2.13373 -0.00133 0.00121 -0.00371 -0.00250 2.13123 A34 2.01671 0.00063 -0.00064 0.00184 0.00118 2.01789 A35 2.13232 0.00071 -0.00059 0.00198 0.00140 2.13371 A36 1.95716 -0.00056 0.00098 -0.00502 -0.00405 1.95311 A37 1.92728 -0.00009 -0.00144 0.00247 0.00102 1.92830 A38 1.95540 0.00055 -0.00057 0.00421 0.00365 1.95905 A39 1.89640 -0.00130 0.00131 -0.00637 -0.00507 1.89133 A40 1.88666 0.00048 -0.00034 0.00332 0.00298 1.88964 A41 1.83600 0.00096 0.00008 0.00151 0.00158 1.83758 A42 2.10443 0.00070 -0.00155 0.00230 0.00075 2.10518 D1 1.06910 0.00042 0.00249 -0.00270 -0.00021 1.06889 D2 -3.12100 0.00035 0.00311 -0.00477 -0.00167 -3.12266 D3 -1.01530 0.00050 0.00420 -0.00553 -0.00133 -1.01663 D4 -3.10674 -0.00013 -0.00054 -0.00246 -0.00300 -3.10974 D5 -1.01365 -0.00020 0.00007 -0.00453 -0.00446 -1.01811 D6 1.09204 -0.00005 0.00116 -0.00529 -0.00413 1.08792 D7 -1.06116 -0.00034 0.00011 -0.00530 -0.00520 -1.06636 D8 1.03193 -0.00041 0.00072 -0.00738 -0.00665 1.02527 D9 3.13762 -0.00026 0.00181 -0.00814 -0.00632 3.13130 D10 -2.89010 0.00038 0.10190 0.01579 0.11769 -2.77241 D11 1.26793 0.00064 0.10250 0.01520 0.11769 1.38563 D12 -0.77180 0.00132 0.10453 0.01840 0.12294 -0.64886 D13 1.54415 0.00012 -0.02059 0.04308 0.02249 1.56665 D14 -1.50878 -0.00002 -0.02578 0.03387 0.00809 -1.50068 D15 -2.64959 0.00082 -0.01825 0.04435 0.02610 -2.62349 D16 0.58067 0.00068 -0.02344 0.03514 0.01170 0.59237 D17 -0.54892 0.00018 -0.02068 0.04361 0.02293 -0.52599 D18 2.68133 0.00005 -0.02588 0.03441 0.00853 2.68986 D19 -2.78115 -0.00003 0.00116 0.00509 0.00623 -2.77492 D20 0.36881 -0.00024 0.00207 -0.00015 0.00191 0.37072 D21 -0.01210 0.00011 0.00119 -0.00449 -0.00331 -0.01541 D22 3.13786 -0.00010 0.00210 -0.00973 -0.00763 3.13023 D23 2.87536 0.00037 0.00085 -0.01131 -0.01046 2.86490 D24 -0.23516 -0.00003 0.00166 -0.01508 -0.01343 -0.24859 D25 0.09934 0.00027 0.00086 -0.00194 -0.00109 0.09824 D26 -3.01118 -0.00013 0.00166 -0.00571 -0.00406 -3.01524 D27 3.11724 -0.00009 0.00054 -0.00024 0.00033 3.11756 D28 -0.03363 0.00014 -0.00047 0.00555 0.00511 -0.02852 D29 -3.11933 -0.00015 0.00063 0.00746 0.00810 -3.11124 D30 0.09023 -0.00022 -0.00107 0.00882 0.00775 0.09798 D31 0.03123 -0.00037 0.00160 0.00186 0.00347 0.03470 D32 -3.04239 -0.00044 -0.00010 0.00322 0.00312 -3.03926 D33 -3.08817 -0.00036 -0.00175 -0.01338 -0.01514 -3.10331 D34 0.03857 -0.00000 -0.00228 -0.01277 -0.01505 0.02352 D35 -3.09708 -0.00004 -0.00123 0.00397 0.00271 -3.09436 D36 -0.04538 0.00006 0.00408 0.01324 0.01730 -0.02808 D37 0.03032 0.00030 -0.00174 0.00459 0.00284 0.03316 D38 3.08202 0.00040 0.00357 0.01386 0.01742 3.09944 D39 3.09518 -0.00015 0.00220 0.00388 0.00605 3.10123 D40 -0.08367 0.00027 0.00248 0.00246 0.00492 -0.07874 D41 0.04566 -0.00029 -0.00308 -0.00584 -0.00893 0.03673 D42 -3.13319 0.00012 -0.00281 -0.00726 -0.01006 3.13994 D43 -0.03557 0.00043 0.00027 -0.00172 -0.00143 -0.03701 D44 3.02912 0.00045 0.00223 -0.00356 -0.00131 3.02781 D45 -3.13693 -0.00002 -0.00004 -0.00017 -0.00021 -3.13714 D46 -0.07223 0.00000 0.00191 -0.00200 -0.00009 -0.07232 D47 1.50286 -0.00107 -0.00167 -0.01326 -0.01492 1.48794 D48 -0.61479 0.00104 -0.00299 -0.00342 -0.00641 -0.62120 D49 -2.65511 -0.00045 -0.00181 -0.00952 -0.01133 -2.66644 D50 -1.56077 -0.00110 -0.00370 -0.01138 -0.01508 -1.57585 D51 2.60477 0.00100 -0.00502 -0.00155 -0.00658 2.59819 D52 0.56445 -0.00048 -0.00384 -0.00765 -0.01150 0.55295 D53 -0.39551 0.00057 -0.00628 0.02151 0.01522 -0.38028 D54 2.77713 0.00022 -0.00551 0.01785 0.01233 2.78946 D55 0.79505 -0.00091 0.00691 -0.01218 -0.00528 0.78977 D56 -1.35827 0.00072 0.00576 -0.00326 0.00249 -1.35579 D57 2.90803 0.00028 0.00550 -0.00490 0.00060 2.90863 Item Value Threshold Converged? Maximum Force 0.003983 0.000450 NO RMS Force 0.000768 0.000300 NO Maximum Displacement 0.182630 0.001800 NO RMS Displacement 0.019851 0.001200 NO Predicted change in Energy=-2.508578D-04 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.997709 -5.016857 2.218560 2 6 0 7.207750 -4.650486 3.674721 3 8 0 6.768511 -6.385514 2.139202 4 7 0 2.759633 -2.141791 0.232895 5 6 0 3.838527 -2.849299 0.691993 6 7 0 5.012933 -2.349109 0.560693 7 6 0 6.092787 -3.039508 1.043570 8 8 0 7.216270 -2.628054 0.996487 9 7 0 5.847849 -4.288668 1.638384 10 6 0 4.594130 -4.781920 1.762916 11 6 0 3.537017 -4.111035 1.282843 12 1 0 7.851802 -4.725888 1.632089 13 1 0 8.073673 -5.174537 4.059258 14 1 0 7.369731 -3.584619 3.766425 15 6 0 1.455655 -2.335689 0.657856 16 1 0 2.941619 -1.249644 -0.176767 17 1 0 4.519514 -5.744018 2.230121 18 6 0 2.112336 -4.562204 1.212879 19 1 0 6.342605 -4.934273 4.264663 20 1 0 6.954903 -6.695478 1.263108 21 8 0 0.604655 -1.543018 0.453923 22 1 0 1.893459 -5.068824 0.278268 23 8 0 1.233790 -3.454338 1.337455 24 1 0 1.853141 -5.223228 2.024457 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.516163 0.000000 3 O 1.389982 2.358192 0.000000 4 N 5.492737 6.158365 6.141197 0.000000 5 C 4.124215 4.846918 4.814981 1.369434 0.000000 6 N 3.715473 4.450924 4.676143 2.286437 1.283223 7 C 2.471719 3.280449 3.585076 3.545844 2.289427 8 O 2.692139 3.356075 3.952820 4.547652 3.398650 9 N 1.479541 2.475260 2.344184 4.015166 2.646662 10 C 2.457641 3.240877 2.727827 3.560425 2.335131 11 C 3.697630 4.414337 4.043410 2.363184 1.425478 12 H 1.076144 2.143090 2.045737 5.879242 4.528989 13 H 2.137927 1.082738 2.618498 7.216483 5.889115 14 H 2.141399 1.081998 3.294591 5.985030 4.739434 15 C 6.351285 6.895386 6.842653 1.385116 2.437834 16 H 6.031695 6.678290 6.810725 0.998433 2.029306 17 H 2.582702 3.241804 2.340465 4.479077 3.347981 18 C 5.008490 5.659656 5.085519 2.690308 2.486986 19 H 2.150004 1.084916 2.608656 6.073780 4.835442 20 H 1.931966 3.172035 0.947819 6.276759 4.983078 21 O 7.486831 7.976889 8.017671 2.247512 3.495851 22 H 5.460843 6.320806 5.381718 3.052841 2.980059 23 O 6.036603 6.525472 6.314090 2.295872 2.750881 24 H 5.152363 5.632339 5.052222 3.677863 3.369385 6 7 8 9 10 6 N 0.000000 7 C 1.369637 0.000000 8 O 2.263277 1.197383 0.000000 9 N 2.370737 1.405062 2.245495 0.000000 10 C 2.745780 2.408201 3.478818 1.353003 0.000000 11 C 2.409193 2.781615 3.977202 2.344762 1.340912 12 H 3.854367 2.506863 2.282279 2.051104 3.260779 13 H 5.439773 4.192449 4.074344 3.405831 4.187428 14 H 4.166257 3.056414 2.934471 2.709311 3.626505 15 C 3.558630 4.706073 5.777961 4.905805 4.129797 16 H 2.458254 3.823963 4.642110 4.580023 4.355472 17 H 3.815214 3.346261 4.301579 2.057345 1.072138 18 C 3.706292 4.265121 5.462409 3.769607 2.551493 19 H 4.708556 3.745395 4.094253 2.749351 3.055997 20 H 4.812023 3.762653 4.084524 2.675656 3.079735 21 O 4.482644 5.718982 6.721989 6.035944 5.302816 22 H 4.148221 4.726327 5.899620 4.253911 3.095177 23 O 4.013330 4.885520 6.048890 4.698532 3.638045 24 H 4.515247 4.868816 6.046057 4.120697 2.788580 11 12 13 14 15 11 C 0.000000 12 H 4.372343 0.000000 13 H 5.424091 2.478238 0.000000 14 H 4.597281 2.467848 1.763271 0.000000 15 C 2.806159 6.897309 7.964092 6.797008 0.000000 16 H 3.266881 6.282207 7.725715 6.372522 2.020935 17 H 2.128208 3.535304 4.037586 3.891911 4.845199 18 C 1.496050 5.757082 6.634333 5.925915 2.386765 19 H 4.176158 3.041635 1.759692 1.767708 6.606359 20 H 4.285053 2.195418 3.373925 4.014489 7.043850 21 O 3.985042 8.002491 9.053872 7.804297 1.180727 22 H 2.151236 6.119827 7.245834 6.660305 2.793884 23 O 2.395639 6.745497 7.559848 6.600503 1.327574 24 H 2.149978 6.032017 6.545060 6.012674 3.219235 16 17 18 19 20 16 H 0.000000 17 H 5.336877 0.000000 18 C 3.686716 2.868096 0.000000 19 H 6.698470 2.849335 5.229436 0.000000 20 H 6.916415 2.787744 5.291866 3.533566 0.000000 21 O 2.438286 6.010773 3.458988 7.677657 8.217559 22 H 3.986456 3.340925 1.085389 5.975312 5.406860 23 O 3.173361 4.103104 1.419411 6.071141 6.575839 24 H 4.671139 2.724530 1.078330 5.025665 5.364248 21 22 23 24 21 O 0.000000 22 H 3.758082 0.000000 23 O 2.197631 2.040491 0.000000 24 H 4.191567 1.753466 1.996131 0.000000 Stoichiometry C8H9N3O4 Framework group C1[X(C8H9N3O4)] Deg. of freedom 66 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 3.027954 -0.250558 -0.048108 2 6 0 3.466217 -0.351978 1.399784 3 8 0 3.307188 -1.458470 -0.676621 4 7 0 -2.334330 0.925921 -0.226897 5 6 0 -0.990544 0.662498 -0.212895 6 7 0 -0.163386 1.643411 -0.229674 7 6 0 1.181255 1.386445 -0.187094 8 8 0 2.018084 2.242452 -0.160692 9 7 0 1.581207 0.039870 -0.155884 10 6 0 0.679034 -0.968226 -0.134860 11 6 0 -0.637410 -0.718271 -0.185285 12 1 0 3.526134 0.570489 -0.533684 13 1 0 4.532860 -0.532635 1.444012 14 1 0 3.241978 0.571140 1.917750 15 6 0 -3.311950 0.040583 0.196164 16 1 0 -2.609673 1.885592 -0.236187 17 1 0 1.091083 -1.957787 -0.113296 18 6 0 -1.758995 -1.700963 -0.305826 19 1 0 2.956463 -1.173177 1.892558 20 1 0 3.355170 -1.332608 -1.614820 21 8 0 -4.416415 0.388503 0.426872 22 1 0 -2.015122 -1.897995 -1.341995 23 8 0 -2.917063 -1.216681 0.356804 24 1 0 -1.531046 -2.641059 0.170675 --------------------------------------------------------------------- Rotational constants (GHZ): 1.4421730 0.3622864 0.3091292 Standard basis: 6-31G(d) (6D, 7F) There are 243 symmetry adapted cartesian basis functions of A symmetry. There are 243 symmetry adapted basis functions of A symmetry. 243 basis functions, 456 primitive gaussians, 243 cartesian basis functions 55 alpha electrons 55 beta electrons nuclear repulsion energy 1026.6274980966 Hartrees. NAtoms= 24 NActive= 24 NUniq= 24 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. One-electron integrals computed using PRISM. NBasis= 243 RedAO= T EigKep= 8.41D-04 NBF= 243 NBsUse= 243 1.00D-06 EigRej= -1.00D+00 NBFU= 243 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 -0.000000 -0.000000 Rot= 0.999997 -0.002379 0.000314 -0.000091 Ang= -0.28 deg. ExpMin= 1.61D-01 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn= 5 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 5 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 5 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -771.027537887 A.U. after 12 cycles NFock= 12 Conv=0.91D-08 -V/T= 2.0016 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 0.000606857 -0.000774969 0.001226776 2 6 -0.000707264 0.000045149 -0.001024959 3 8 -0.000262532 0.000249620 0.000494050 4 7 -0.000916670 0.001289509 -0.000574109 5 6 0.001555347 0.000566609 -0.001193206 6 7 -0.001177445 0.000236915 0.000266557 7 6 0.000781222 0.000805455 -0.000268862 8 8 -0.000372909 0.000090905 -0.000419409 9 7 -0.000744596 -0.000047761 0.000915709 10 6 0.000481542 -0.000735138 -0.000871698 11 6 0.000259922 -0.001008567 0.000394615 12 1 -0.000213474 0.000283485 -0.000237499 13 1 0.000134714 -0.000212751 0.000017294 14 1 -0.000029238 0.000280655 0.000162115 15 6 0.001104346 -0.000774479 0.000745203 16 1 0.000116122 0.000015709 0.000000201 17 1 -0.000194269 -0.000142350 0.000225175 18 6 -0.000227525 -0.001433637 0.002638466 19 1 0.000051382 -0.000014380 0.000168129 20 1 0.000086846 -0.000127691 -0.000686937 21 8 -0.000137123 0.000569956 -0.000523384 22 1 -0.000110563 0.001535698 -0.000116787 23 8 -0.000174593 0.000150802 -0.001374267 24 1 0.000089899 -0.000848744 0.000036825 ------------------------------------------------------------------- Cartesian Forces: Max 0.002638466 RMS 0.000715431 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.001754210 RMS 0.000402221 Search for a local minimum. Step number 33 out of a maximum of 134 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swapping is turned off. Update second derivatives using D2CorX and points 30 31 32 33 DE= -2.73D-04 DEPred=-2.51D-04 R= 1.09D+00 TightC=F SS= 1.41D+00 RLast= 2.20D-01 DXNew= 1.6603D+00 6.6062D-01 Trust test= 1.09D+00 RLast= 2.20D-01 DXMaxT set to 9.87D-01 ITU= 1 0 1 1 1 -1 -1 1 1 1 0 -1 1 1 0 0 0 0 1 0 ITU= 0 0 0 1 1 1 1 1 1 -1 1 1 0 Eigenvalues --- 0.00265 0.00388 0.00521 0.00784 0.00866 Eigenvalues --- 0.01653 0.01747 0.01847 0.01963 0.02115 Eigenvalues --- 0.02224 0.02575 0.02933 0.05612 0.05783 Eigenvalues --- 0.05957 0.06925 0.07631 0.07784 0.08445 Eigenvalues --- 0.08565 0.09372 0.12600 0.12809 0.14702 Eigenvalues --- 0.15830 0.15989 0.16249 0.16605 0.17103 Eigenvalues --- 0.18657 0.20835 0.21833 0.23330 0.23443 Eigenvalues --- 0.24346 0.24555 0.24910 0.26898 0.27664 Eigenvalues --- 0.29592 0.30892 0.33565 0.33737 0.33842 Eigenvalues --- 0.33886 0.34060 0.34324 0.34692 0.36196 Eigenvalues --- 0.38573 0.41130 0.43439 0.44026 0.45395 Eigenvalues --- 0.45693 0.48024 0.48660 0.49079 0.51478 Eigenvalues --- 0.52478 0.57855 0.59690 0.72426 0.88671 Eigenvalues --- 1.08793 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 33 32 31 RFO step: Lambda=-1.29807173D-04. DidBck=F Rises=F RFO-DIIS coefs: 1.52044 -0.22985 -0.29058 Iteration 1 RMS(Cart)= 0.01763605 RMS(Int)= 0.00010424 Iteration 2 RMS(Cart)= 0.00015937 RMS(Int)= 0.00001207 Iteration 3 RMS(Cart)= 0.00000001 RMS(Int)= 0.00001207 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.86513 -0.00070 -0.00028 -0.00180 -0.00208 2.86305 R2 2.62669 -0.00008 0.00238 -0.00261 -0.00023 2.62646 R3 2.79593 -0.00008 -0.00356 0.00260 -0.00096 2.79496 R4 2.03362 0.00004 -0.00028 0.00010 -0.00018 2.03344 R5 2.04608 0.00022 0.00023 0.00035 0.00057 2.04665 R6 2.04468 0.00029 0.00063 0.00023 0.00086 2.04554 R7 2.05019 0.00005 0.00027 -0.00009 0.00019 2.05038 R8 1.79112 0.00069 0.00047 0.00052 0.00100 1.79211 R9 2.58786 0.00039 0.00096 0.00019 0.00115 2.58901 R10 2.61749 -0.00066 0.00043 -0.00115 -0.00072 2.61677 R11 1.88676 0.00004 -0.00013 0.00018 0.00005 1.88681 R12 2.42494 -0.00114 -0.00004 -0.00168 -0.00171 2.42323 R13 2.69376 0.00175 0.00084 0.00297 0.00382 2.69758 R14 2.58824 0.00004 -0.00192 0.00234 0.00042 2.58866 R15 2.26273 -0.00030 -0.00112 -0.00001 -0.00114 2.26159 R16 2.65518 0.00133 0.00718 -0.00334 0.00383 2.65902 R17 2.55681 -0.00032 -0.00112 0.00111 -0.00001 2.55680 R18 2.53396 -0.00030 0.00068 -0.00126 -0.00057 2.53338 R19 2.02605 0.00024 0.00044 0.00017 0.00061 2.02666 R20 2.82712 0.00032 0.00035 0.00028 0.00064 2.82777 R21 2.23125 0.00057 0.00148 -0.00084 0.00064 2.23189 R22 2.50875 0.00039 -0.00185 0.00127 -0.00059 2.50816 R23 2.05109 -0.00059 -0.00025 -0.00082 -0.00107 2.05002 R24 2.68230 0.00038 0.00150 -0.00017 0.00133 2.68363 R25 2.03775 0.00053 0.00012 0.00047 0.00059 2.03834 A1 1.89190 0.00026 -0.00062 0.00027 -0.00035 1.89155 A2 1.94480 -0.00026 0.00019 -0.00145 -0.00125 1.94355 A3 1.92636 0.00023 0.00053 0.00073 0.00126 1.92762 A4 1.91143 -0.00009 0.00100 -0.00013 0.00088 1.91230 A5 1.94549 -0.00001 0.00063 0.00068 0.00130 1.94679 A6 1.84423 -0.00015 -0.00171 -0.00014 -0.00184 1.84238 A7 1.91233 -0.00021 0.00150 -0.00073 0.00077 1.91310 A8 1.91791 0.00020 0.00093 -0.00050 0.00043 1.91834 A9 1.92684 0.00020 0.00209 0.00010 0.00219 1.92903 A10 1.90388 0.00003 -0.00224 0.00176 -0.00048 1.90340 A11 1.89444 -0.00007 -0.00022 -0.00106 -0.00129 1.89315 A12 1.90813 -0.00016 -0.00212 0.00044 -0.00167 1.90645 A13 1.92022 -0.00017 0.00052 -0.00266 -0.00214 1.91808 A14 2.17306 -0.00049 -0.00015 -0.00205 -0.00224 2.17082 A15 2.04384 0.00016 -0.00061 -0.00005 -0.00067 2.04317 A16 2.00707 0.00034 -0.00077 0.00134 0.00057 2.00764 A17 2.07755 -0.00058 -0.00102 -0.00004 -0.00106 2.07649 A18 2.01486 0.00029 0.00005 0.00039 0.00043 2.01530 A19 2.19076 0.00029 0.00099 -0.00035 0.00064 2.19140 A20 2.08175 -0.00016 0.00159 -0.00093 0.00065 2.08240 A21 2.15638 -0.00038 0.00205 -0.00267 -0.00061 2.15578 A22 2.04874 -0.00011 -0.00202 0.00073 -0.00130 2.04743 A23 2.07797 0.00049 -0.00003 0.00193 0.00190 2.07988 A24 2.05792 0.00034 0.00196 0.00125 0.00321 2.06113 A25 2.09974 -0.00066 -0.00133 -0.00226 -0.00359 2.09615 A26 2.12305 0.00033 -0.00039 0.00121 0.00079 2.12384 A27 2.11198 -0.00037 0.00138 -0.00129 0.00008 2.11206 A28 2.01722 0.00036 -0.00123 0.00238 0.00116 2.01837 A29 2.15330 0.00003 -0.00018 -0.00086 -0.00104 2.15226 A30 2.00920 0.00003 -0.00141 0.00085 -0.00057 2.00864 A31 2.03641 -0.00008 -0.00081 -0.00043 -0.00125 2.03516 A32 2.23522 0.00005 0.00214 -0.00024 0.00190 2.23712 A33 2.13123 -0.00083 -0.00226 -0.00036 -0.00260 2.12862 A34 2.01789 0.00057 0.00113 0.00096 0.00205 2.01994 A35 2.13371 0.00026 0.00120 -0.00059 0.00062 2.13434 A36 1.95311 -0.00023 -0.00289 -0.00214 -0.00505 1.94806 A37 1.92830 -0.00032 0.00168 -0.00233 -0.00070 1.92760 A38 1.95905 0.00037 0.00235 0.00276 0.00510 1.96415 A39 1.89133 -0.00090 -0.00368 -0.00512 -0.00882 1.88251 A40 1.88964 0.00025 0.00182 0.00117 0.00301 1.89265 A41 1.83758 0.00084 0.00076 0.00590 0.00664 1.84422 A42 2.10518 0.00047 0.00163 -0.00165 -0.00007 2.10511 D1 1.06889 0.00011 -0.00209 0.00305 0.00096 1.06986 D2 -3.12266 0.00014 -0.00334 0.00446 0.00111 -3.12155 D3 -1.01663 0.00020 -0.00404 0.00475 0.00071 -1.01592 D4 -3.10974 0.00000 -0.00113 0.00218 0.00105 -3.10869 D5 -1.01811 0.00004 -0.00238 0.00358 0.00120 -1.01691 D6 1.08792 0.00010 -0.00308 0.00388 0.00080 1.08872 D7 -1.06636 -0.00020 -0.00279 0.00157 -0.00122 -1.06757 D8 1.02527 -0.00016 -0.00404 0.00297 -0.00107 1.02420 D9 3.13130 -0.00010 -0.00474 0.00327 -0.00147 3.12984 D10 -2.77241 -0.00027 -0.01999 -0.00281 -0.02281 -2.79521 D11 1.38563 -0.00005 -0.02046 -0.00114 -0.02159 1.36403 D12 -0.64886 0.00019 -0.01935 -0.00129 -0.02064 -0.66950 D13 1.56665 0.00014 0.02812 0.00384 0.03196 1.59861 D14 -1.50068 0.00004 0.02477 0.00073 0.02550 -1.47519 D15 -2.62349 0.00024 0.02813 0.00318 0.03131 -2.59218 D16 0.59237 0.00014 0.02477 0.00007 0.02484 0.61721 D17 -0.52599 0.00010 0.02842 0.00384 0.03226 -0.49373 D18 2.68986 0.00000 0.02507 0.00073 0.02580 2.71566 D19 -2.77492 -0.00003 0.00232 0.00544 0.00773 -2.76718 D20 0.37072 -0.00014 -0.00066 0.00308 0.00241 0.37313 D21 -0.01541 0.00008 -0.00267 0.00342 0.00074 -0.01468 D22 3.13023 -0.00003 -0.00565 0.00107 -0.00458 3.12564 D23 2.86490 0.00027 -0.00612 0.00344 -0.00269 2.86221 D24 -0.24859 0.00004 -0.00831 0.00283 -0.00548 -0.25408 D25 0.09824 0.00019 -0.00125 0.00567 0.00441 0.10265 D26 -3.01524 -0.00004 -0.00344 0.00506 0.00161 -3.01363 D27 3.11756 -0.00004 -0.00026 -0.00167 -0.00191 3.11565 D28 -0.02852 0.00008 0.00303 0.00094 0.00399 -0.02453 D29 -3.11124 -0.00019 0.00371 -0.00066 0.00306 -3.10818 D30 0.09798 -0.00022 0.00489 -0.00320 0.00169 0.09968 D31 0.03470 -0.00030 0.00053 -0.00319 -0.00266 0.03205 D32 -3.03926 -0.00033 0.00171 -0.00573 -0.00402 -3.04329 D33 -3.10331 -0.00015 -0.00649 -0.00042 -0.00691 -3.11022 D34 0.02352 0.00005 -0.00601 -0.00129 -0.00730 0.01622 D35 -3.09436 -0.00001 0.00239 0.00121 0.00358 -3.09078 D36 -0.02808 0.00005 0.00576 0.00421 0.00996 -0.01812 D37 0.03316 0.00018 0.00286 0.00034 0.00319 0.03635 D38 3.09944 0.00023 0.00623 0.00334 0.00957 3.10901 D39 3.10123 -0.00020 0.00139 -0.00361 -0.00223 3.09900 D40 -0.07874 0.00019 0.00059 0.00291 0.00349 -0.07525 D41 0.03673 -0.00030 -0.00219 -0.00684 -0.00903 0.02770 D42 3.13994 0.00009 -0.00299 -0.00032 -0.00330 3.13663 D43 -0.03701 0.00042 -0.00096 0.00600 0.00504 -0.03197 D44 3.02781 0.00045 -0.00246 0.00889 0.00644 3.03425 D45 -3.13714 -0.00002 -0.00008 -0.00111 -0.00119 -3.13833 D46 -0.07232 0.00001 -0.00157 0.00177 0.00020 -0.07212 D47 1.48794 -0.00077 -0.00644 -0.01150 -0.01793 1.47002 D48 -0.62120 0.00074 -0.00096 -0.00194 -0.00290 -0.62410 D49 -2.66644 -0.00034 -0.00445 -0.00954 -0.01400 -2.68044 D50 -1.57585 -0.00080 -0.00490 -0.01447 -0.01937 -1.59522 D51 2.59819 0.00071 0.00058 -0.00491 -0.00434 2.59384 D52 0.55295 -0.00037 -0.00292 -0.01251 -0.01545 0.53750 D53 -0.38028 0.00025 0.01293 -0.00895 0.00399 -0.37630 D54 2.78946 0.00004 0.01081 -0.00956 0.00124 2.79069 D55 0.78977 -0.00063 -0.00825 0.00842 0.00017 0.78994 D56 -1.35579 0.00044 -0.00329 0.01594 0.01261 -1.34318 D57 2.90863 0.00015 -0.00407 0.01402 0.00996 2.91859 Item Value Threshold Converged? Maximum Force 0.001754 0.000450 NO RMS Force 0.000402 0.000300 NO Maximum Displacement 0.065413 0.001800 NO RMS Displacement 0.017626 0.001200 NO Predicted change in Energy=-6.448673D-05 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 7.001237 -5.011067 2.220622 2 6 0 7.188680 -4.660918 3.682700 3 8 0 6.785374 -6.380531 2.122184 4 7 0 2.760038 -2.148062 0.224367 5 6 0 3.841041 -2.854875 0.681382 6 7 0 5.013856 -2.355559 0.541653 7 6 0 6.096853 -3.042176 1.023508 8 8 0 7.219733 -2.632753 0.961872 9 7 0 5.852817 -4.285297 1.635880 10 6 0 4.600081 -4.779435 1.766591 11 6 0 3.540939 -4.112614 1.286179 12 1 0 7.858758 -4.704039 1.647672 13 1 0 8.054791 -5.181057 4.072934 14 1 0 7.338912 -3.594328 3.790033 15 6 0 1.460581 -2.335126 0.664716 16 1 0 2.941500 -1.258187 -0.190501 17 1 0 4.526288 -5.736940 2.243994 18 6 0 2.114369 -4.560653 1.228359 19 1 0 6.319654 -4.959293 4.259781 20 1 0 6.967287 -6.673269 1.238684 21 8 0 0.611313 -1.539672 0.462457 22 1 0 1.889365 -5.057939 0.290851 23 8 0 1.239813 -3.448674 1.352390 24 1 0 1.856722 -5.225536 2.037691 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.515062 0.000000 3 O 1.389862 2.356891 0.000000 4 N 5.492686 6.155273 6.141566 0.000000 5 C 4.123743 4.845243 4.814068 1.370043 0.000000 6 N 3.717572 4.462143 4.672982 2.285480 1.282316 7 C 2.475383 3.299047 3.581307 3.545758 2.289283 8 O 2.699735 3.393718 3.947256 4.546177 3.397583 9 N 1.479031 2.472871 2.344389 4.015648 2.646585 10 C 2.454658 3.222788 2.732299 3.562070 2.336183 11 C 3.695140 4.398859 4.045826 2.365738 1.427497 12 H 1.076049 2.142942 2.046446 5.878416 4.527159 13 H 2.137741 1.083040 2.618317 7.214218 5.888075 14 H 2.141081 1.082453 3.294094 5.980949 4.737679 15 C 6.346681 6.879582 6.844190 1.384734 2.436598 16 H 6.031507 6.679730 6.808985 0.998459 2.029474 17 H 2.579304 3.211857 2.352130 4.480913 3.349271 18 C 5.006888 5.637595 5.092069 2.691743 2.488023 19 H 2.150676 1.085015 2.608857 6.071116 4.834980 20 H 1.930872 3.173607 0.948346 6.261573 4.966300 21 O 7.481501 7.960773 8.019205 2.245850 3.494114 22 H 5.464196 6.304363 5.392025 3.038071 2.969013 23 O 6.032321 6.502991 6.319938 2.296761 2.751225 24 H 5.152232 5.608442 5.062881 3.684423 3.375964 6 7 8 9 10 6 N 0.000000 7 C 1.369858 0.000000 8 O 2.262590 1.196782 0.000000 9 N 2.371725 1.407090 2.248033 0.000000 10 C 2.747155 2.410511 3.481148 1.352998 0.000000 11 C 2.410612 2.783439 3.978529 2.344545 1.340608 12 H 3.851248 2.501136 2.273522 2.049216 3.261718 13 H 5.449832 4.208008 4.107296 3.404454 4.173192 14 H 4.182393 3.082409 2.989536 2.706713 3.605550 15 C 3.555464 4.703580 5.774488 4.902863 4.128588 16 H 2.456610 3.822654 4.639038 4.579828 4.356637 17 H 3.816992 3.349330 4.305167 2.058336 1.072462 18 C 3.706889 4.267073 5.463749 3.770661 2.552709 19 H 4.723243 3.768082 4.135110 2.749011 3.034019 20 H 4.790028 3.740159 4.057847 2.664999 3.077167 21 O 4.478206 5.715195 6.716804 6.032309 5.301614 22 H 4.138622 4.722609 5.894456 4.256175 3.098928 23 O 4.011931 4.885104 6.047948 4.696819 3.637841 24 H 4.521327 4.875894 6.053247 4.124836 2.792583 11 12 13 14 15 11 C 0.000000 12 H 4.373103 0.000000 13 H 5.411325 2.479490 0.000000 14 H 4.578483 2.468078 1.763583 0.000000 15 C 2.805988 6.893085 7.949772 6.775542 0.000000 16 H 3.269199 6.279506 7.727323 6.374907 2.020968 17 H 2.127618 3.539469 4.013023 3.858999 4.844070 18 C 1.496390 5.761457 6.615521 5.898458 2.387070 19 H 4.156974 3.042550 1.759202 1.767111 6.589487 20 H 4.277742 2.199968 3.382652 4.015889 7.033686 21 O 3.985130 7.996463 9.038838 7.781707 1.181064 22 H 2.147559 6.131873 7.234071 6.639577 2.781607 23 O 2.395909 6.743409 7.539657 6.569804 1.327262 24 H 2.154055 6.037261 6.523822 5.982136 3.224354 16 17 18 19 20 16 H 0.000000 17 H 5.338309 0.000000 18 C 3.688304 2.869237 0.000000 19 H 6.701874 2.807898 5.199313 0.000000 20 H 6.897293 2.801042 5.292832 3.533294 0.000000 21 O 2.436259 6.009823 3.460074 7.661504 8.206995 22 H 3.972001 3.350996 1.084823 5.948915 5.412298 23 O 3.174032 4.102687 1.420116 6.044805 6.573805 24 H 4.677760 2.725927 1.078643 4.992628 5.371426 21 22 23 24 21 O 0.000000 22 H 3.747141 0.000000 23 O 2.198018 2.034335 0.000000 24 H 4.197381 1.755165 2.001863 0.000000 Stoichiometry C8H9N3O4 Framework group C1[X(C8H9N3O4)] Deg. of freedom 66 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 3.027812 -0.245893 -0.037279 2 6 0 3.450025 -0.393825 1.410224 3 8 0 3.315907 -1.432439 -0.701228 4 7 0 -2.335320 0.924874 -0.226300 5 6 0 -0.990454 0.663688 -0.214645 6 7 0 -0.166726 1.646407 -0.222960 7 6 0 1.178984 1.393883 -0.180432 8 8 0 2.011998 2.252746 -0.153446 9 7 0 1.582260 0.046174 -0.149567 10 6 0 0.683025 -0.964714 -0.140312 11 6 0 -0.633728 -0.718336 -0.192156 12 1 0 3.527705 0.592117 -0.490852 13 1 0 4.516806 -0.573702 1.461177 14 1 0 3.217771 0.511437 1.956360 15 6 0 -3.308266 0.035521 0.197863 16 1 0 -2.611785 1.884293 -0.227896 17 1 0 1.096894 -1.953915 -0.121090 18 6 0 -1.754512 -1.701886 -0.317274 19 1 0 2.937768 -1.231320 1.872232 20 1 0 3.353817 -1.278143 -1.636169 21 8 0 -4.412383 0.382377 0.433511 22 1 0 -2.017788 -1.877881 -1.354844 23 8 0 -2.912354 -1.222087 0.350501 24 1 0 -1.525348 -2.650474 0.142222 --------------------------------------------------------------------- Rotational constants (GHZ): 1.4364704 0.3626863 0.3095690 Standard basis: 6-31G(d) (6D, 7F) There are 243 symmetry adapted cartesian basis functions of A symmetry. There are 243 symmetry adapted basis functions of A symmetry. 243 basis functions, 456 primitive gaussians, 243 cartesian basis functions 55 alpha electrons 55 beta electrons nuclear repulsion energy 1026.5595718341 Hartrees. NAtoms= 24 NActive= 24 NUniq= 24 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. One-electron integrals computed using PRISM. NBasis= 243 RedAO= T EigKep= 8.40D-04 NBF= 243 NBsUse= 243 1.00D-06 EigRej= -1.00D+00 NBFU= 243 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 0.000000 0.000000 Rot= 0.999987 -0.005092 0.000340 -0.000414 Ang= -0.59 deg. ExpMin= 1.61D-01 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn= 5 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 5 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 5 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -771.027614132 A.U. after 11 cycles NFock= 11 Conv=0.90D-08 -V/T= 2.0016 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 0.000360105 -0.000344683 0.000656047 2 6 -0.000127442 0.000238002 -0.000076841 3 8 -0.000195771 0.000152393 -0.000166196 4 7 -0.000097147 0.000147955 -0.000047013 5 6 0.000206918 0.000125294 -0.000123638 6 7 -0.000288149 0.000117146 -0.000009306 7 6 -0.000020682 -0.000302117 0.000147884 8 8 0.000064369 0.000016877 -0.000140694 9 7 -0.000232527 0.000484431 -0.000019050 10 6 -0.000031050 -0.000272110 -0.000194294 11 6 0.000128240 -0.000096702 0.000020236 12 1 -0.000060370 0.000084340 -0.000126627 13 1 0.000005212 -0.000088874 -0.000077679 14 1 0.000000800 0.000077516 0.000089440 15 6 0.000366035 -0.000029626 -0.000010442 16 1 0.000009524 -0.000015830 -0.000005372 17 1 -0.000020194 -0.000023534 0.000035495 18 6 0.000054617 -0.000355800 0.000321702 19 1 0.000018172 -0.000036420 -0.000003797 20 1 0.000076687 -0.000164069 -0.000148165 21 8 -0.000194218 0.000148740 -0.000105867 22 1 -0.000035698 0.000247012 0.000001960 23 8 -0.000015543 -0.000012259 -0.000058153 24 1 0.000028111 -0.000097682 0.000040369 ------------------------------------------------------------------- Cartesian Forces: Max 0.000656047 RMS 0.000176689 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000257963 RMS 0.000092049 Search for a local minimum. Step number 34 out of a maximum of 134 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swapping is turned off. Update second derivatives using D2CorX and points 30 31 32 33 34 DE= -7.62D-05 DEPred=-6.45D-05 R= 1.18D+00 TightC=F SS= 1.41D+00 RLast= 9.40D-02 DXNew= 1.6603D+00 2.8204D-01 Trust test= 1.18D+00 RLast= 9.40D-02 DXMaxT set to 9.87D-01 ITU= 1 1 0 1 1 1 -1 -1 1 1 1 0 -1 1 1 0 0 0 0 1 ITU= 0 0 0 0 1 1 1 1 1 1 -1 1 1 0 Eigenvalues --- 0.00265 0.00357 0.00509 0.00757 0.00853 Eigenvalues --- 0.01642 0.01752 0.01833 0.01960 0.02130 Eigenvalues --- 0.02231 0.02571 0.02896 0.05596 0.05777 Eigenvalues --- 0.05962 0.06926 0.07621 0.07774 0.08287 Eigenvalues --- 0.08556 0.09019 0.12637 0.12746 0.14658 Eigenvalues --- 0.15825 0.16015 0.16249 0.16575 0.17201 Eigenvalues --- 0.18593 0.20819 0.21814 0.23323 0.23787 Eigenvalues --- 0.24299 0.24568 0.24987 0.26674 0.27774 Eigenvalues --- 0.29156 0.31037 0.33571 0.33735 0.33848 Eigenvalues --- 0.33887 0.34006 0.34311 0.34681 0.35971 Eigenvalues --- 0.38630 0.41031 0.43567 0.44551 0.45648 Eigenvalues --- 0.46515 0.48156 0.48674 0.49123 0.51481 Eigenvalues --- 0.52202 0.57911 0.59549 0.72084 0.88772 Eigenvalues --- 1.08387 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 34 33 32 31 RFO step: Lambda=-1.10196901D-05. DidBck=F Rises=F RFO-DIIS coefs: 1.28310 -0.22294 -0.06625 0.00609 Iteration 1 RMS(Cart)= 0.00621533 RMS(Int)= 0.00001383 Iteration 2 RMS(Cart)= 0.00002005 RMS(Int)= 0.00000369 Iteration 3 RMS(Cart)= 0.00000000 RMS(Int)= 0.00000369 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.86305 -0.00004 -0.00057 0.00051 -0.00006 2.86299 R2 2.62646 0.00005 0.00029 0.00005 0.00033 2.62679 R3 2.79496 0.00016 -0.00067 0.00073 0.00006 2.79503 R4 2.03344 0.00004 -0.00005 0.00002 -0.00002 2.03341 R5 2.04665 0.00002 0.00022 -0.00013 0.00009 2.04674 R6 2.04554 0.00009 0.00029 0.00007 0.00037 2.04590 R7 2.05038 -0.00001 0.00006 -0.00006 0.00000 2.05039 R8 1.79211 0.00020 0.00026 0.00002 0.00028 1.79239 R9 2.58901 0.00001 0.00042 -0.00019 0.00023 2.58923 R10 2.61677 -0.00014 -0.00016 -0.00001 -0.00018 2.61659 R11 1.88681 -0.00001 0.00001 0.00001 0.00001 1.88683 R12 2.42323 -0.00024 -0.00051 -0.00001 -0.00051 2.42271 R13 2.69758 0.00025 0.00115 -0.00018 0.00097 2.69855 R14 2.58866 0.00010 -0.00002 0.00057 0.00056 2.58921 R15 2.26159 0.00007 -0.00041 0.00024 -0.00017 2.26142 R16 2.65902 -0.00013 0.00153 -0.00159 -0.00006 2.65896 R17 2.55680 -0.00006 -0.00009 0.00031 0.00023 2.55702 R18 2.53338 -0.00015 -0.00013 -0.00024 -0.00037 2.53301 R19 2.02666 0.00004 0.00018 -0.00005 0.00014 2.02679 R20 2.82777 -0.00004 0.00018 -0.00017 0.00001 2.82778 R21 2.23189 0.00026 0.00030 -0.00015 0.00016 2.23204 R22 2.50816 0.00020 -0.00029 0.00040 0.00011 2.50827 R23 2.05002 -0.00011 -0.00033 0.00004 -0.00028 2.04973 R24 2.68363 0.00010 0.00053 -0.00015 0.00039 2.68402 R25 2.03834 0.00008 0.00017 -0.00006 0.00011 2.03845 A1 1.89155 0.00022 0.00033 0.00110 0.00143 1.89298 A2 1.94355 -0.00001 -0.00039 0.00009 -0.00030 1.94325 A3 1.92762 0.00003 0.00040 0.00003 0.00043 1.92805 A4 1.91230 -0.00019 -0.00013 -0.00075 -0.00088 1.91142 A5 1.94679 -0.00003 0.00040 -0.00021 0.00019 1.94698 A6 1.84238 -0.00004 -0.00063 -0.00032 -0.00095 1.84143 A7 1.91310 -0.00018 0.00031 -0.00102 -0.00071 1.91239 A8 1.91834 0.00016 0.00030 0.00090 0.00120 1.91953 A9 1.92903 -0.00001 0.00070 -0.00050 0.00020 1.92923 A10 1.90340 0.00003 -0.00034 0.00049 0.00015 1.90355 A11 1.89315 0.00004 -0.00042 -0.00014 -0.00057 1.89259 A12 1.90645 -0.00003 -0.00058 0.00028 -0.00030 1.90615 A13 1.91808 0.00017 -0.00051 0.00157 0.00105 1.91913 A14 2.17082 -0.00008 -0.00070 0.00002 -0.00068 2.17014 A15 2.04317 0.00004 -0.00025 0.00013 -0.00012 2.04305 A16 2.00764 0.00004 0.00011 0.00012 0.00022 2.00786 A17 2.07649 -0.00009 -0.00036 0.00026 -0.00010 2.07639 A18 2.01530 0.00007 0.00012 -0.00001 0.00010 2.01540 A19 2.19140 0.00001 0.00024 -0.00024 -0.00000 2.19140 A20 2.08240 -0.00010 0.00026 -0.00028 -0.00002 2.08238 A21 2.15578 -0.00008 0.00000 -0.00030 -0.00030 2.15548 A22 2.04743 0.00003 -0.00048 0.00032 -0.00017 2.04727 A23 2.07988 0.00005 0.00048 -0.00002 0.00047 2.08034 A24 2.06113 0.00009 0.00093 0.00022 0.00114 2.06227 A25 2.09615 -0.00020 -0.00099 -0.00031 -0.00131 2.09484 A26 2.12384 0.00012 0.00025 0.00017 0.00040 2.12425 A27 2.11206 -0.00013 0.00005 -0.00028 -0.00024 2.11182 A28 2.01837 0.00008 0.00032 0.00016 0.00048 2.01885 A29 2.15226 0.00005 -0.00031 0.00014 -0.00017 2.15208 A30 2.00864 0.00007 -0.00021 0.00031 0.00010 2.00874 A31 2.03516 0.00003 -0.00048 0.00022 -0.00026 2.03491 A32 2.23712 -0.00009 0.00072 -0.00046 0.00025 2.23738 A33 2.12862 -0.00003 -0.00087 0.00068 -0.00019 2.12844 A34 2.01994 0.00004 0.00064 -0.00038 0.00026 2.02019 A35 2.13434 -0.00001 0.00025 -0.00031 -0.00006 2.13428 A36 1.94806 0.00002 -0.00166 0.00081 -0.00086 1.94720 A37 1.92760 -0.00010 -0.00016 -0.00023 -0.00040 1.92719 A38 1.96415 0.00003 0.00165 -0.00089 0.00076 1.96490 A39 1.88251 -0.00014 -0.00278 0.00119 -0.00160 1.88091 A40 1.89265 0.00005 0.00103 -0.00045 0.00058 1.89324 A41 1.84422 0.00014 0.00198 -0.00042 0.00155 1.84577 A42 2.10511 0.00008 0.00000 -0.00036 -0.00036 2.10476 D1 1.06986 0.00004 0.00030 0.00022 0.00052 1.07038 D2 -3.12155 0.00007 0.00027 0.00074 0.00101 -3.12054 D3 -1.01592 0.00012 0.00019 0.00135 0.00154 -1.01437 D4 -3.10869 -0.00006 0.00011 0.00006 0.00017 -3.10852 D5 -1.01691 -0.00003 0.00007 0.00058 0.00066 -1.01626 D6 1.08872 0.00002 -0.00000 0.00120 0.00119 1.08991 D7 -1.06757 -0.00008 -0.00066 -0.00026 -0.00092 -1.06849 D8 1.02420 -0.00006 -0.00069 0.00026 -0.00043 1.02377 D9 3.12984 -0.00001 -0.00077 0.00087 0.00011 3.12994 D10 -2.79521 -0.00002 0.00233 0.00008 0.00241 -2.79281 D11 1.36403 -0.00003 0.00268 -0.00026 0.00242 1.36646 D12 -0.66950 0.00015 0.00330 0.00072 0.00402 -0.66548 D13 1.59861 0.00004 0.01006 0.00130 0.01136 1.60996 D14 -1.47519 -0.00001 0.00727 0.00009 0.00737 -1.46782 D15 -2.59218 0.00018 0.01013 0.00224 0.01237 -2.57982 D16 0.61721 0.00013 0.00735 0.00103 0.00838 0.62559 D17 -0.49373 0.00002 0.01017 0.00141 0.01158 -0.48215 D18 2.71566 -0.00003 0.00738 0.00021 0.00759 2.72325 D19 -2.76718 0.00001 0.00258 -0.00115 0.00144 -2.76575 D20 0.37313 0.00001 0.00083 0.00124 0.00207 0.37520 D21 -0.01468 0.00002 0.00003 -0.00031 -0.00028 -0.01496 D22 3.12564 0.00003 -0.00172 0.00207 0.00035 3.12599 D23 2.86221 0.00005 -0.00138 0.00113 -0.00025 2.86196 D24 -0.25408 0.00003 -0.00233 0.00165 -0.00069 -0.25476 D25 0.10265 0.00003 0.00120 0.00031 0.00150 0.10415 D26 -3.01363 0.00001 0.00024 0.00083 0.00107 -3.01257 D27 3.11565 -0.00000 -0.00051 0.00130 0.00079 3.11645 D28 -0.02453 -0.00001 0.00143 -0.00135 0.00009 -0.02444 D29 -3.10818 -0.00004 0.00136 -0.00146 -0.00009 -3.10827 D30 0.09968 -0.00006 0.00093 -0.00243 -0.00150 0.09817 D31 0.03205 -0.00004 -0.00052 0.00111 0.00059 0.03264 D32 -3.04329 -0.00005 -0.00095 0.00013 -0.00082 -3.04411 D33 -3.11022 -0.00006 -0.00290 -0.00011 -0.00301 -3.11323 D34 0.01622 0.00001 -0.00301 0.00017 -0.00284 0.01338 D35 -3.09078 -0.00001 0.00116 0.00001 0.00116 -3.08962 D36 -0.01812 0.00004 0.00393 0.00122 0.00515 -0.01297 D37 0.03635 0.00007 0.00105 0.00027 0.00131 0.03766 D38 3.10901 0.00011 0.00382 0.00148 0.00530 3.11431 D39 3.09900 -0.00004 -0.00023 -0.00023 -0.00047 3.09853 D40 -0.07525 0.00005 0.00133 0.00043 0.00175 -0.07350 D41 0.02770 -0.00009 -0.00315 -0.00148 -0.00463 0.02307 D42 3.13663 -0.00000 -0.00159 -0.00082 -0.00241 3.13422 D43 -0.03197 0.00009 0.00135 0.00036 0.00170 -0.03027 D44 3.03425 0.00011 0.00178 0.00150 0.00328 3.03753 D45 -3.13833 -0.00001 -0.00035 -0.00035 -0.00070 -3.13903 D46 -0.07212 0.00001 0.00008 0.00080 0.00088 -0.07123 D47 1.47002 -0.00011 -0.00600 0.00298 -0.00301 1.46701 D48 -0.62410 0.00012 -0.00126 0.00110 -0.00016 -0.62426 D49 -2.68044 -0.00001 -0.00468 0.00235 -0.00233 -2.68277 D50 -1.59522 -0.00013 -0.00645 0.00182 -0.00463 -1.59985 D51 2.59384 0.00010 -0.00171 -0.00006 -0.00178 2.59207 D52 0.53750 -0.00003 -0.00513 0.00119 -0.00395 0.53356 D53 -0.37630 -0.00002 0.00194 -0.00319 -0.00125 -0.37755 D54 2.79069 -0.00004 0.00100 -0.00268 -0.00168 2.78901 D55 0.78994 -0.00006 -0.00016 0.00185 0.00170 0.79164 D56 -1.34318 0.00007 0.00382 0.00023 0.00403 -1.33915 D57 2.91859 0.00000 0.00295 0.00039 0.00334 2.92193 Item Value Threshold Converged? Maximum Force 0.000258 0.000450 YES RMS Force 0.000092 0.000300 YES Maximum Displacement 0.023085 0.001800 NO RMS Displacement 0.006216 0.001200 NO Predicted change in Energy=-5.507395D-06 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 7.001993 -5.008978 2.221583 2 6 0 7.182542 -4.664634 3.685873 3 8 0 6.789451 -6.378488 2.114457 4 7 0 2.759941 -2.149811 0.221416 5 6 0 3.841515 -2.855766 0.678768 6 7 0 5.013978 -2.357245 0.535778 7 6 0 6.097885 -3.043384 1.017108 8 8 0 7.220921 -2.635568 0.949656 9 7 0 5.853995 -4.283453 1.635625 10 6 0 4.601552 -4.778334 1.767556 11 6 0 3.542037 -4.112540 1.287082 12 1 0 7.860376 -4.696478 1.652922 13 1 0 8.048652 -5.184418 4.076709 14 1 0 7.329038 -3.598007 3.799753 15 6 0 1.461737 -2.334737 0.666047 16 1 0 2.941152 -1.261067 -0.195992 17 1 0 4.527975 -5.734509 2.247808 18 6 0 2.114922 -4.559411 1.233681 19 1 0 6.312535 -4.968729 4.258478 20 1 0 6.977693 -6.667185 1.230795 21 8 0 0.612312 -1.539484 0.463176 22 1 0 1.887264 -5.055464 0.296335 23 8 0 1.241999 -3.445918 1.357976 24 1 0 1.858535 -5.224392 2.043411 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.515030 0.000000 3 O 1.390038 2.358212 0.000000 4 N 5.492769 6.155177 6.140217 0.000000 5 C 4.123739 4.845322 4.812598 1.370163 0.000000 6 N 3.718310 4.466521 4.670645 2.285287 1.282045 7 C 2.476234 3.305638 3.578457 3.545908 2.289297 8 O 2.701630 3.406680 3.943650 4.546057 3.397389 9 N 1.479065 2.472621 2.343828 4.015668 2.646496 10 C 2.453865 3.217822 2.732716 3.562473 2.336532 11 C 3.694345 4.394574 4.045338 2.366353 1.428010 12 H 1.076036 2.143213 2.046717 5.877854 4.526416 13 H 2.137233 1.083086 2.619508 7.214055 5.888007 14 H 2.142060 1.082646 3.295823 5.981507 4.738596 15 C 6.345525 6.875709 6.843562 1.384640 2.436180 16 H 6.031744 6.681507 6.807024 0.998465 2.029513 17 H 2.578342 3.203028 2.355157 4.481325 3.349668 18 C 5.006148 5.630727 5.092743 2.692006 2.488263 19 H 2.150794 1.085017 2.609923 6.071663 4.835791 20 H 1.931812 3.174835 0.948493 6.262184 4.966614 21 O 7.480468 7.957403 8.018711 2.245719 3.493827 22 H 5.465271 6.299339 5.393273 3.034797 2.967157 23 O 6.030464 6.495723 6.320320 2.296913 2.750833 24 H 5.151049 5.599648 5.064674 3.685817 3.377107 6 7 8 9 10 6 N 0.000000 7 C 1.370152 0.000000 8 O 2.262599 1.196693 0.000000 9 N 2.371828 1.407059 2.248236 0.000000 10 C 2.747552 2.410858 3.481594 1.353118 0.000000 11 C 2.410835 2.783583 3.978629 2.344321 1.340413 12 H 3.849936 2.498671 2.269546 2.048525 3.261867 13 H 5.453470 4.213155 4.118281 3.403990 4.168883 14 H 4.189573 3.092970 3.010155 2.707220 3.600302 15 C 3.554700 4.703115 5.774005 4.901990 4.128307 16 H 2.456360 3.822725 4.638770 4.579770 4.357019 17 H 3.817480 3.349835 4.305879 2.058801 1.072533 18 C 3.706902 4.267228 5.463796 3.770727 2.552700 19 H 4.729122 3.776177 4.149351 2.749404 3.027938 20 H 4.786941 3.735192 4.048720 2.666226 3.082518 21 O 4.477574 5.714898 6.716530 6.031521 5.301470 22 H 4.136914 4.722002 5.893269 4.257306 3.099782 23 O 4.011115 4.884450 6.047388 4.695643 3.637263 24 H 4.522202 4.876698 6.054213 4.124968 2.792706 11 12 13 14 15 11 C 0.000000 12 H 4.372971 0.000000 13 H 5.407450 2.479572 0.000000 14 H 4.573799 2.469381 1.763873 0.000000 15 C 2.806050 6.891613 7.946115 6.770612 0.000000 16 H 3.269781 6.278479 7.728856 6.378151 2.021026 17 H 2.127405 3.540663 4.005327 3.849562 4.843783 18 C 1.496396 5.762360 6.609280 5.890333 2.387055 19 H 4.151856 3.042837 1.758881 1.767084 6.585872 20 H 4.281717 2.200229 3.383012 4.017815 7.036676 21 O 3.985314 7.994782 9.035613 7.777189 1.181146 22 H 2.146848 6.135737 7.229837 6.634080 2.778509 23 O 2.395743 6.741944 7.532888 6.560293 1.327318 24 H 2.154630 6.037655 6.515631 5.971287 3.225629 16 17 18 19 20 16 H 0.000000 17 H 5.338712 0.000000 18 C 3.688589 2.869169 0.000000 19 H 6.704870 2.795330 5.190076 0.000000 20 H 6.896049 2.811639 5.299930 3.534693 0.000000 21 O 2.436290 6.009622 3.459981 7.658758 8.209788 22 H 3.968691 3.353014 1.084672 5.940465 5.420639 23 O 3.174194 4.102083 1.420320 6.036737 6.579583 24 H 4.679202 2.725419 1.078702 4.980964 5.380314 21 22 23 24 21 O 0.000000 22 H 3.743721 0.000000 23 O 2.198105 2.033244 0.000000 24 H 4.198661 1.755459 2.003224 0.000000 Stoichiometry C8H9N3O4 Framework group C1[X(C8H9N3O4)] Deg. of freedom 66 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 3.027769 -0.244566 -0.033363 2 6 0 3.445459 -0.408477 1.413698 3 8 0 3.317135 -1.423131 -0.711196 4 7 0 -2.335642 0.924770 -0.225669 5 6 0 -0.990493 0.664430 -0.213676 6 7 0 -0.167684 1.647582 -0.219589 7 6 0 1.178501 1.395898 -0.177645 8 8 0 2.010657 2.255497 -0.151566 9 7 0 1.582437 0.048425 -0.146508 10 6 0 0.684103 -0.963458 -0.142352 11 6 0 -0.632590 -0.717868 -0.194431 12 1 0 3.527836 0.599093 -0.476112 13 1 0 4.512236 -0.588486 1.465251 14 1 0 3.211112 0.489988 1.970442 15 6 0 -3.307420 0.033992 0.197875 16 1 0 -2.612629 1.884046 -0.225340 17 1 0 1.098457 -1.952563 -0.124734 18 6 0 -1.752984 -1.701699 -0.320908 19 1 0 2.932957 -1.251854 1.864609 20 1 0 3.359859 -1.257880 -1.644204 21 8 0 -4.411962 0.379576 0.433813 22 1 0 -2.018230 -1.872652 -1.358662 23 8 0 -2.910402 -1.223489 0.349173 24 1 0 -1.522862 -2.652264 0.134138 --------------------------------------------------------------------- Rotational constants (GHZ): 1.4349703 0.3627865 0.3097125 Standard basis: 6-31G(d) (6D, 7F) There are 243 symmetry adapted cartesian basis functions of A symmetry. There are 243 symmetry adapted basis functions of A symmetry. 243 basis functions, 456 primitive gaussians, 243 cartesian basis functions 55 alpha electrons 55 beta electrons nuclear repulsion energy 1026.5354975150 Hartrees. NAtoms= 24 NActive= 24 NUniq= 24 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. One-electron integrals computed using PRISM. NBasis= 243 RedAO= T EigKep= 8.39D-04 NBF= 243 NBsUse= 243 1.00D-06 EigRej= -1.00D+00 NBFU= 243 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 -0.000000 0.000000 Rot= 0.999998 -0.001807 0.000103 -0.000117 Ang= -0.21 deg. ExpMin= 1.61D-01 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn= 5 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 5 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 5 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -771.027620059 A.U. after 11 cycles NFock= 11 Conv=0.40D-08 -V/T= 2.0016 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 0.000156673 -0.000155512 0.000019936 2 6 -0.000050347 -0.000069172 0.000029675 3 8 -0.000003315 0.000098773 0.000131360 4 7 -0.000000582 -0.000016597 0.000132383 5 6 -0.000022544 -0.000158741 -0.000075045 6 7 0.000040686 0.000075055 0.000025498 7 6 -0.000209471 -0.000304559 0.000112344 8 8 0.000138409 0.000084645 -0.000070546 9 7 -0.000145753 0.000315351 -0.000104375 10 6 -0.000047189 -0.000026983 0.000063681 11 6 0.000003106 0.000164890 -0.000026888 12 1 -0.000006482 0.000016370 -0.000021668 13 1 0.000007002 -0.000022032 -0.000026404 14 1 -0.000007612 -0.000045580 -0.000050857 15 6 0.000130490 0.000069383 -0.000097300 16 1 -0.000014434 -0.000021571 -0.000008235 17 1 0.000037504 0.000002529 -0.000041519 18 6 0.000104606 -0.000113360 -0.000139975 19 1 -0.000001854 -0.000008356 -0.000000976 20 1 0.000031404 0.000063958 -0.000000165 21 8 -0.000125180 0.000070510 -0.000034644 22 1 -0.000037510 -0.000012846 -0.000003348 23 8 0.000044772 -0.000072944 0.000142054 24 1 -0.000022379 0.000066790 0.000045012 ------------------------------------------------------------------- Cartesian Forces: Max 0.000315351 RMS 0.000094050 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000189060 RMS 0.000050299 Search for a local minimum. Step number 35 out of a maximum of 134 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swapping is turned off. Update second derivatives using D2CorX and points 30 31 32 33 34 35 DE= -5.93D-06 DEPred=-5.51D-06 R= 1.08D+00 TightC=F SS= 1.41D+00 RLast= 2.96D-02 DXNew= 1.6603D+00 8.8890D-02 Trust test= 1.08D+00 RLast= 2.96D-02 DXMaxT set to 9.87D-01 ITU= 1 1 1 0 1 1 1 -1 -1 1 1 1 0 -1 1 1 0 0 0 0 ITU= 1 0 0 0 0 1 1 1 1 1 1 -1 1 1 0 Eigenvalues --- 0.00264 0.00327 0.00496 0.00678 0.00837 Eigenvalues --- 0.01579 0.01728 0.01815 0.01980 0.02126 Eigenvalues --- 0.02232 0.02566 0.02912 0.05587 0.05779 Eigenvalues --- 0.05975 0.06953 0.07636 0.07783 0.08344 Eigenvalues --- 0.08696 0.09174 0.12625 0.12697 0.14698 Eigenvalues --- 0.15839 0.16017 0.16229 0.16703 0.17860 Eigenvalues --- 0.19127 0.20837 0.21978 0.23311 0.23622 Eigenvalues --- 0.24281 0.24656 0.24952 0.26552 0.27696 Eigenvalues --- 0.28584 0.31106 0.33603 0.33719 0.33855 Eigenvalues --- 0.33897 0.34007 0.34311 0.34924 0.36226 Eigenvalues --- 0.38612 0.40920 0.43587 0.45006 0.45651 Eigenvalues --- 0.47071 0.48473 0.48677 0.49519 0.51523 Eigenvalues --- 0.52518 0.57937 0.59501 0.72270 0.88876 Eigenvalues --- 1.07614 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 35 34 33 32 31 RFO step: Lambda=-1.86986034D-06. DidBck=F Rises=F RFO-DIIS coefs: 1.13958 -0.09300 -0.02315 -0.01732 -0.00611 Iteration 1 RMS(Cart)= 0.00228473 RMS(Int)= 0.00000206 Iteration 2 RMS(Cart)= 0.00000262 RMS(Int)= 0.00000117 Iteration 3 RMS(Cart)= 0.00000000 RMS(Int)= 0.00000117 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.86299 -0.00009 -0.00011 -0.00017 -0.00027 2.86272 R2 2.62679 -0.00017 0.00016 -0.00040 -0.00024 2.62655 R3 2.79503 0.00019 -0.00019 0.00039 0.00020 2.79522 R4 2.03341 0.00001 -0.00002 -0.00000 -0.00002 2.03340 R5 2.04674 0.00001 0.00005 -0.00001 0.00004 2.04678 R6 2.04590 -0.00005 0.00012 -0.00015 -0.00004 2.04587 R7 2.05039 0.00000 0.00002 -0.00001 0.00001 2.05040 R8 1.79239 -0.00001 0.00009 -0.00013 -0.00003 1.79236 R9 2.58923 -0.00002 0.00012 -0.00010 0.00003 2.58926 R10 2.61659 -0.00005 -0.00004 -0.00007 -0.00012 2.61647 R11 1.88683 -0.00002 -0.00000 -0.00001 -0.00001 1.88681 R12 2.42271 0.00001 -0.00016 0.00006 -0.00010 2.42262 R13 2.69855 -0.00011 0.00035 -0.00028 0.00006 2.69861 R14 2.58921 -0.00001 0.00003 0.00010 0.00013 2.58934 R15 2.26142 0.00016 -0.00012 0.00019 0.00007 2.26149 R16 2.65896 -0.00018 0.00043 -0.00072 -0.00029 2.65866 R17 2.55702 -0.00004 -0.00001 0.00008 0.00006 2.55709 R18 2.53301 -0.00003 -0.00006 -0.00004 -0.00010 2.53291 R19 2.02679 -0.00002 0.00006 -0.00008 -0.00002 2.02678 R20 2.82778 -0.00005 0.00004 -0.00005 -0.00001 2.82777 R21 2.23204 0.00014 0.00011 -0.00004 0.00007 2.23211 R22 2.50827 0.00011 -0.00008 0.00022 0.00014 2.50841 R23 2.04973 0.00002 -0.00010 0.00007 -0.00003 2.04970 R24 2.68402 0.00000 0.00018 -0.00015 0.00003 2.68404 R25 2.03845 -0.00000 0.00005 -0.00001 0.00004 2.03849 A1 1.89298 -0.00013 0.00024 -0.00072 -0.00048 1.89249 A2 1.94325 0.00006 -0.00010 0.00011 0.00001 1.94327 A3 1.92805 0.00004 0.00014 0.00012 0.00026 1.92831 A4 1.91142 0.00004 -0.00012 0.00021 0.00009 1.91151 A5 1.94698 0.00003 0.00011 0.00014 0.00025 1.94723 A6 1.84143 -0.00004 -0.00028 0.00018 -0.00010 1.84133 A7 1.91239 -0.00004 -0.00001 -0.00017 -0.00018 1.91221 A8 1.91953 -0.00006 0.00024 -0.00040 -0.00016 1.91937 A9 1.92923 0.00001 0.00020 0.00000 0.00020 1.92943 A10 1.90355 0.00004 -0.00009 0.00024 0.00015 1.90370 A11 1.89259 0.00002 -0.00015 0.00012 -0.00003 1.89255 A12 1.90615 0.00003 -0.00019 0.00022 0.00003 1.90619 A13 1.91913 -0.00012 0.00008 -0.00062 -0.00054 1.91859 A14 2.17014 0.00003 -0.00021 0.00023 0.00001 2.17015 A15 2.04305 0.00000 -0.00007 0.00013 0.00006 2.04311 A16 2.00786 -0.00003 0.00003 0.00005 0.00008 2.00794 A17 2.07639 -0.00000 -0.00010 0.00008 -0.00002 2.07637 A18 2.01540 0.00001 0.00003 -0.00002 0.00001 2.01541 A19 2.19140 -0.00001 0.00007 -0.00006 0.00001 2.19140 A20 2.08238 -0.00004 0.00008 -0.00012 -0.00004 2.08234 A21 2.15548 -0.00008 0.00001 -0.00032 -0.00030 2.15518 A22 2.04727 0.00003 -0.00015 0.00016 0.00000 2.04727 A23 2.08034 0.00005 0.00014 0.00016 0.00030 2.08064 A24 2.06227 0.00004 0.00036 0.00008 0.00044 2.06271 A25 2.09484 -0.00005 -0.00038 -0.00007 -0.00045 2.09439 A26 2.12425 0.00001 0.00009 0.00003 0.00011 2.12436 A27 2.11182 -0.00002 0.00001 -0.00008 -0.00008 2.11175 A28 2.01885 -0.00002 0.00009 -0.00006 0.00002 2.01887 A29 2.15208 0.00004 -0.00008 0.00013 0.00005 2.15213 A30 2.00874 0.00002 -0.00006 0.00008 0.00002 2.00876 A31 2.03491 0.00004 -0.00014 0.00022 0.00008 2.03499 A32 2.23738 -0.00006 0.00021 -0.00028 -0.00007 2.23730 A33 2.12844 0.00006 -0.00023 0.00025 0.00003 2.12846 A34 2.02019 -0.00006 0.00017 -0.00018 -0.00001 2.02018 A35 2.13428 0.00000 0.00006 -0.00008 -0.00002 2.13426 A36 1.94720 0.00006 -0.00047 0.00073 0.00026 1.94746 A37 1.92719 -0.00004 -0.00004 -0.00023 -0.00028 1.92692 A38 1.96490 0.00000 0.00044 -0.00032 0.00012 1.96502 A39 1.88091 0.00001 -0.00077 0.00049 -0.00029 1.88062 A40 1.89324 0.00001 0.00030 -0.00006 0.00024 1.89347 A41 1.84577 -0.00004 0.00056 -0.00064 -0.00008 1.84569 A42 2.10476 0.00001 -0.00001 0.00001 -0.00000 2.10475 D1 1.07038 -0.00001 0.00007 -0.00012 -0.00005 1.07033 D2 -3.12054 -0.00002 0.00010 -0.00018 -0.00008 -3.12062 D3 -1.01437 -0.00001 0.00015 -0.00017 -0.00002 -1.01439 D4 -3.10852 0.00000 0.00001 -0.00026 -0.00025 -3.10877 D5 -1.01626 -0.00001 0.00004 -0.00032 -0.00028 -1.01653 D6 1.08991 -0.00000 0.00009 -0.00030 -0.00021 1.08970 D7 -1.06849 0.00002 -0.00031 0.00011 -0.00020 -1.06869 D8 1.02377 0.00001 -0.00028 0.00005 -0.00023 1.02354 D9 3.12994 0.00001 -0.00023 0.00006 -0.00017 3.12977 D10 -2.79281 0.00002 0.00032 0.00004 0.00036 -2.79245 D11 1.36646 0.00000 0.00037 0.00022 0.00059 1.36705 D12 -0.66548 0.00001 0.00073 -0.00022 0.00051 -0.66496 D13 1.60996 0.00009 0.00395 0.00086 0.00480 1.61476 D14 -1.46782 0.00006 0.00284 0.00026 0.00310 -1.46472 D15 -2.57982 -0.00001 0.00410 0.00017 0.00427 -2.57555 D16 0.62559 -0.00003 0.00299 -0.00043 0.00256 0.62815 D17 -0.48215 0.00003 0.00400 0.00054 0.00455 -0.47761 D18 2.72325 0.00000 0.00289 -0.00005 0.00284 2.72609 D19 -2.76575 0.00002 0.00069 -0.00030 0.00038 -2.76537 D20 0.37520 -0.00000 0.00041 -0.00097 -0.00056 0.37464 D21 -0.01496 0.00003 -0.00010 0.00096 0.00085 -0.01411 D22 3.12599 0.00001 -0.00038 0.00029 -0.00009 3.12590 D23 2.86196 0.00001 -0.00042 0.00111 0.00069 2.86265 D24 -0.25476 0.00002 -0.00069 0.00140 0.00071 -0.25405 D25 0.10415 -0.00000 0.00037 -0.00014 0.00024 0.10439 D26 -3.01257 0.00001 0.00010 0.00015 0.00025 -3.01232 D27 3.11645 -0.00002 0.00002 -0.00024 -0.00022 3.11622 D28 -0.02444 0.00001 0.00033 0.00050 0.00083 -0.02361 D29 -3.10827 0.00002 0.00031 0.00055 0.00086 -3.10740 D30 0.09817 0.00003 0.00007 0.00033 0.00040 0.09858 D31 0.03264 -0.00001 0.00001 -0.00017 -0.00015 0.03249 D32 -3.04411 -0.00000 -0.00023 -0.00039 -0.00061 -3.04472 D33 -3.11323 -0.00003 -0.00107 -0.00044 -0.00150 -3.11473 D34 0.01338 -0.00001 -0.00105 -0.00052 -0.00157 0.01181 D35 -3.08962 -0.00001 0.00041 -0.00034 0.00007 -3.08955 D36 -0.01297 0.00001 0.00152 0.00026 0.00178 -0.01119 D37 0.03766 0.00001 0.00043 -0.00043 -0.00000 0.03766 D38 3.11431 0.00003 0.00153 0.00018 0.00171 3.11602 D39 3.09853 0.00002 -0.00006 0.00068 0.00061 3.09914 D40 -0.07350 0.00000 0.00048 -0.00007 0.00041 -0.07309 D41 0.02307 -0.00001 -0.00122 0.00005 -0.00117 0.02190 D42 3.13422 -0.00002 -0.00068 -0.00069 -0.00137 3.13286 D43 -0.03027 0.00000 0.00043 -0.00011 0.00032 -0.02995 D44 3.03753 0.00001 0.00069 0.00016 0.00085 3.03838 D45 -3.13903 0.00002 -0.00016 0.00069 0.00053 -3.13850 D46 -0.07123 0.00003 0.00010 0.00096 0.00106 -0.07017 D47 1.46701 -0.00001 -0.00158 0.00087 -0.00071 1.46630 D48 -0.62426 -0.00003 -0.00026 -0.00007 -0.00033 -0.62459 D49 -2.68277 0.00005 -0.00121 0.00109 -0.00012 -2.68289 D50 -1.59985 -0.00001 -0.00184 0.00060 -0.00124 -1.60109 D51 2.59207 -0.00003 -0.00052 -0.00034 -0.00086 2.59120 D52 0.53356 0.00005 -0.00148 0.00082 -0.00066 0.53290 D53 -0.37755 -0.00004 0.00047 -0.00120 -0.00073 -0.37827 D54 2.78901 -0.00003 0.00020 -0.00091 -0.00071 2.78830 D55 0.79164 0.00003 0.00001 0.00050 0.00051 0.79215 D56 -1.33915 -0.00002 0.00111 -0.00056 0.00055 -1.33860 D57 2.92193 -0.00002 0.00085 -0.00041 0.00045 2.92238 Item Value Threshold Converged? Maximum Force 0.000189 0.000450 YES RMS Force 0.000050 0.000300 YES Maximum Displacement 0.008320 0.001800 NO RMS Displacement 0.002285 0.001200 NO Predicted change in Energy=-9.030769D-07 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 7.002330 -5.008077 2.221826 2 6 0 7.180506 -4.666652 3.686939 3 8 0 6.791085 -6.377462 2.112246 4 7 0 2.759863 -2.150260 0.220486 5 6 0 3.841670 -2.856139 0.677446 6 7 0 5.014014 -2.357689 0.533695 7 6 0 6.098171 -3.043664 1.014884 8 8 0 7.221265 -2.636267 0.945253 9 7 0 5.854359 -4.282402 1.635739 10 6 0 4.601998 -4.777417 1.768308 11 6 0 3.542391 -4.112233 1.287342 12 1 0 7.861086 -4.693695 1.654785 13 1 0 8.046485 -5.186696 4.077781 14 1 0 7.326068 -3.600157 3.803048 15 6 0 1.462006 -2.334709 0.666137 16 1 0 2.940892 -1.261960 -0.197930 17 1 0 4.528664 -5.733235 2.249289 18 6 0 2.115202 -4.559031 1.235449 19 1 0 6.310003 -4.972520 4.257854 20 1 0 6.981183 -6.664161 1.228350 21 8 0 0.612362 -1.539743 0.462848 22 1 0 1.886389 -5.055500 0.298626 23 8 0 1.242769 -3.445121 1.359602 24 1 0 1.859239 -5.223211 2.045998 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.514885 0.000000 3 O 1.389909 2.357579 0.000000 4 N 5.492814 6.155535 6.139930 0.000000 5 C 4.123799 4.845909 4.812215 1.370177 0.000000 6 N 3.718568 4.468551 4.669944 2.285240 1.281994 7 C 2.476516 3.308386 3.577505 3.545919 2.289285 8 O 2.702416 3.411886 3.942520 4.545944 3.397312 9 N 1.479168 2.472597 2.343883 4.015580 2.646407 10 C 2.453665 3.215916 2.733228 3.562467 2.336533 11 C 3.694181 4.393327 4.045459 2.366404 1.428044 12 H 1.076027 2.143262 2.046764 5.877819 4.526313 13 H 2.136992 1.083108 2.618641 7.214364 5.888484 14 H 2.141801 1.082627 3.295215 5.982239 4.739618 15 C 6.345254 6.874914 6.843549 1.384579 2.436148 16 H 6.031906 6.682698 6.806560 0.998459 2.029555 17 H 2.577912 3.199484 2.356344 4.481341 3.349677 18 C 5.005856 5.628382 5.093068 2.692195 2.488353 19 H 2.150812 1.085022 2.609394 6.071984 4.836430 20 H 1.931335 3.174025 0.948475 6.261841 4.965992 21 O 7.480310 7.956936 8.018769 2.245713 3.493906 22 H 5.465693 6.297583 5.393779 3.034713 2.967122 23 O 6.029826 6.493485 6.320515 2.296916 2.750731 24 H 5.150591 5.596278 5.065549 3.686007 3.377277 6 7 8 9 10 6 N 0.000000 7 C 1.370219 0.000000 8 O 2.262509 1.196730 0.000000 9 N 2.371751 1.406904 2.248325 0.000000 10 C 2.747564 2.410825 3.481738 1.353152 0.000000 11 C 2.410826 2.783537 3.978644 2.344255 1.340360 12 H 3.849622 2.497988 2.268439 2.048531 3.262138 13 H 5.455246 4.215430 4.122912 3.403929 4.167213 14 H 4.192611 3.096978 3.017791 2.707141 3.598147 15 C 3.554550 4.703006 5.773899 4.901673 4.128093 16 H 2.456365 3.822799 4.638661 4.579706 4.357041 17 H 3.817479 3.349761 4.306022 2.058841 1.072525 18 C 3.706950 4.267203 5.463801 3.770683 2.552604 19 H 4.731415 3.779181 4.154732 2.749429 3.025423 20 H 4.785187 3.732731 4.044962 2.666173 3.084134 21 O 4.477565 5.714947 6.716597 6.031284 5.301316 22 H 4.137086 4.722247 5.893363 4.257974 3.100296 23 O 4.010850 4.884150 6.047176 4.695109 3.636822 24 H 4.522265 4.876696 6.054358 4.124854 2.792593 11 12 13 14 15 11 C 0.000000 12 H 4.373126 0.000000 13 H 5.406281 2.479583 0.000000 14 H 4.572440 2.469232 1.763969 0.000000 15 C 2.805974 6.891332 7.945345 6.769696 0.000000 16 H 3.269845 6.278349 7.729963 6.380028 2.021016 17 H 2.127376 3.541061 4.002143 3.845732 4.843629 18 C 1.496393 5.762739 6.607036 5.887710 2.387130 19 H 4.150146 3.042954 1.758882 1.767093 6.584949 20 H 4.282652 2.199730 3.381867 4.016982 7.037156 21 O 3.985294 7.994506 9.035164 7.776637 1.181183 22 H 2.147011 6.137351 7.228140 6.632429 2.778105 23 O 2.395521 6.741527 7.530745 6.557514 1.327393 24 H 2.154724 6.037847 6.512410 5.967223 3.225718 16 17 18 19 20 16 H 0.000000 17 H 5.338746 0.000000 18 C 3.688769 2.869047 0.000000 19 H 6.706204 2.790374 5.186739 0.000000 20 H 6.895071 2.814923 5.301830 3.534123 0.000000 21 O 2.436359 6.009507 3.459992 7.658273 8.210210 22 H 3.968563 3.353511 1.084654 5.937233 5.423017 23 O 3.174227 4.101722 1.420334 6.034043 6.580946 24 H 4.679391 2.725305 1.078722 4.976390 5.383233 21 22 23 24 21 O 0.000000 22 H 3.743082 0.000000 23 O 2.198191 2.033036 0.000000 24 H 4.198691 1.755612 2.003193 0.000000 Stoichiometry C8H9N3O4 Framework group C1[X(C8H9N3O4)] Deg. of freedom 66 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 3.027777 -0.243947 -0.032263 2 6 0 3.444374 -0.414403 1.414204 3 8 0 3.317761 -1.419622 -0.714571 4 7 0 -2.335799 0.924790 -0.224935 5 6 0 -0.990570 0.664760 -0.213527 6 7 0 -0.168059 1.648102 -0.218078 7 6 0 1.178249 1.396659 -0.176439 8 8 0 2.010018 2.256693 -0.150671 9 7 0 1.582394 0.049415 -0.145167 10 6 0 0.684371 -0.962794 -0.142640 11 6 0 -0.632303 -0.717491 -0.195196 12 1 0 3.527972 0.601700 -0.471033 13 1 0 4.511126 -0.594764 1.465514 14 1 0 3.209704 0.481646 1.974657 15 6 0 -3.307240 0.033350 0.197789 16 1 0 -2.613066 1.883978 -0.223881 17 1 0 1.099017 -1.951786 -0.126072 18 6 0 -1.752351 -1.701616 -0.322408 19 1 0 2.931575 -1.259725 1.861129 20 1 0 3.361515 -1.250012 -1.646732 21 8 0 -4.412032 0.378273 0.433703 22 1 0 -2.018133 -1.871606 -1.360164 23 8 0 -2.909661 -1.224116 0.348395 24 1 0 -1.522001 -2.652508 0.131887 --------------------------------------------------------------------- Rotational constants (GHZ): 1.4345759 0.3628105 0.3097422 Standard basis: 6-31G(d) (6D, 7F) There are 243 symmetry adapted cartesian basis functions of A symmetry. There are 243 symmetry adapted basis functions of A symmetry. 243 basis functions, 456 primitive gaussians, 243 cartesian basis functions 55 alpha electrons 55 beta electrons nuclear repulsion energy 1026.5342876850 Hartrees. NAtoms= 24 NActive= 24 NUniq= 24 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. One-electron integrals computed using PRISM. NBasis= 243 RedAO= T EigKep= 8.39D-04 NBF= 243 NBsUse= 243 1.00D-06 EigRej= -1.00D+00 NBFU= 243 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 -0.000000 -0.000000 Rot= 1.000000 -0.000716 0.000027 -0.000052 Ang= -0.08 deg. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. SCF Done: E(RHF) = -771.027621068 A.U. after 9 cycles NFock= 9 Conv=0.70D-08 -V/T= 2.0016 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 0.000059911 -0.000067870 0.000042587 2 6 0.000007055 -0.000002657 0.000068203 3 8 0.000019601 0.000031607 0.000004812 4 7 0.000020833 -0.000057149 0.000095395 5 6 -0.000079819 -0.000071440 0.000072450 6 7 0.000073368 0.000016396 -0.000015856 7 6 -0.000146022 -0.000155963 0.000051422 8 8 0.000095848 0.000035307 -0.000026280 9 7 -0.000059747 0.000150096 -0.000084581 10 6 -0.000024883 0.000011568 0.000034057 11 6 -0.000026859 0.000088084 -0.000057118 12 1 -0.000007990 0.000007461 -0.000012688 13 1 -0.000006528 0.000003363 -0.000016116 14 1 0.000001170 -0.000018785 -0.000002435 15 6 0.000043178 0.000053707 -0.000080418 16 1 -0.000012756 -0.000018992 -0.000011404 17 1 0.000032818 0.000008351 -0.000013265 18 6 0.000077578 -0.000024778 -0.000158362 19 1 0.000000825 -0.000001034 -0.000010923 20 1 -0.000001044 -0.000015532 -0.000012941 21 8 -0.000070249 0.000027941 -0.000011146 22 1 -0.000003441 -0.000058476 0.000001026 23 8 0.000009926 -0.000004808 0.000124516 24 1 -0.000002772 0.000063604 0.000019064 ------------------------------------------------------------------- Cartesian Forces: Max 0.000158362 RMS 0.000056957 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000117935 RMS 0.000029534 Search for a local minimum. Step number 36 out of a maximum of 134 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swapping is turned off. Update second derivatives using D2CorX and points 30 31 32 33 34 35 36 DE= -1.01D-06 DEPred=-9.03D-07 R= 1.12D+00 TightC=F SS= 1.41D+00 RLast= 1.08D-02 DXNew= 1.6603D+00 3.2258D-02 Trust test= 1.12D+00 RLast= 1.08D-02 DXMaxT set to 9.87D-01 ITU= 1 1 1 1 0 1 1 1 -1 -1 1 1 1 0 -1 1 1 0 0 0 ITU= 0 1 0 0 0 0 1 1 1 1 1 1 -1 1 1 0 Eigenvalues --- 0.00251 0.00278 0.00520 0.00661 0.00834 Eigenvalues --- 0.01392 0.01710 0.01811 0.01984 0.02087 Eigenvalues --- 0.02335 0.02692 0.02942 0.05587 0.05782 Eigenvalues --- 0.05982 0.07062 0.07642 0.07793 0.08328 Eigenvalues --- 0.08652 0.09333 0.12662 0.12688 0.14692 Eigenvalues --- 0.15791 0.15985 0.16286 0.16644 0.18380 Eigenvalues --- 0.19571 0.20851 0.22085 0.22857 0.23376 Eigenvalues --- 0.24445 0.24715 0.25001 0.26836 0.27557 Eigenvalues --- 0.29415 0.31694 0.33547 0.33724 0.33860 Eigenvalues --- 0.33995 0.34059 0.34309 0.34817 0.36659 Eigenvalues --- 0.38611 0.40509 0.42764 0.44005 0.45555 Eigenvalues --- 0.45926 0.48137 0.48854 0.49436 0.51599 Eigenvalues --- 0.52461 0.57963 0.59453 0.72651 0.88409 Eigenvalues --- 1.06329 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 36 35 34 33 32 31 RFO step: Lambda=-9.04605725D-07. DidBck=F Rises=F RFO-DIIS coefs: 1.81200 -0.38339 -0.60358 0.18710 0.01933 RFO-DIIS coefs: -0.03146 Iteration 1 RMS(Cart)= 0.00291725 RMS(Int)= 0.00000321 Iteration 2 RMS(Cart)= 0.00000407 RMS(Int)= 0.00000165 Iteration 3 RMS(Cart)= 0.00000000 RMS(Int)= 0.00000165 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.86272 0.00003 0.00008 0.00002 0.00010 2.86282 R2 2.62655 -0.00002 -0.00001 -0.00010 -0.00011 2.62644 R3 2.79522 0.00011 0.00026 -0.00001 0.00025 2.79548 R4 2.03340 0.00000 -0.00002 -0.00003 -0.00005 2.03335 R5 2.04678 -0.00001 -0.00004 0.00001 -0.00004 2.04674 R6 2.04587 -0.00002 0.00000 -0.00003 -0.00003 2.04584 R7 2.05040 -0.00001 -0.00000 -0.00002 -0.00003 2.05037 R8 1.79236 0.00002 -0.00002 0.00006 0.00004 1.79240 R9 2.58926 -0.00002 -0.00005 -0.00003 -0.00008 2.58918 R10 2.61647 -0.00002 -0.00003 -0.00010 -0.00013 2.61635 R11 1.88681 -0.00001 -0.00002 -0.00000 -0.00002 1.88679 R12 2.42262 0.00005 0.00001 0.00005 0.00006 2.42267 R13 2.69861 -0.00012 -0.00016 -0.00006 -0.00022 2.69839 R14 2.58934 -0.00001 0.00017 -0.00011 0.00006 2.58940 R15 2.26149 0.00010 0.00013 0.00001 0.00014 2.26163 R16 2.65866 -0.00012 -0.00053 0.00012 -0.00041 2.65825 R17 2.55709 -0.00002 0.00010 -0.00006 0.00003 2.55712 R18 2.53291 0.00000 -0.00009 0.00006 -0.00004 2.53288 R19 2.02678 -0.00002 -0.00003 0.00001 -0.00002 2.02676 R20 2.82777 -0.00006 -0.00008 -0.00004 -0.00012 2.82765 R21 2.23211 0.00007 0.00007 -0.00005 0.00002 2.23213 R22 2.50841 0.00004 0.00016 -0.00000 0.00016 2.50857 R23 2.04970 0.00003 0.00003 0.00001 0.00004 2.04974 R24 2.68404 0.00003 0.00000 0.00007 0.00007 2.68412 R25 2.03849 -0.00002 -0.00002 -0.00001 -0.00003 2.03846 A1 1.89249 -0.00003 -0.00004 -0.00022 -0.00026 1.89223 A2 1.94327 0.00004 0.00014 0.00006 0.00020 1.94347 A3 1.92831 0.00001 0.00020 -0.00002 0.00018 1.92849 A4 1.91151 0.00000 -0.00013 0.00020 0.00007 1.91158 A5 1.94723 0.00000 0.00009 0.00004 0.00013 1.94736 A6 1.84133 -0.00002 -0.00026 -0.00004 -0.00031 1.84102 A7 1.91221 -0.00002 -0.00050 0.00035 -0.00015 1.91206 A8 1.91937 0.00000 0.00028 -0.00025 0.00003 1.91940 A9 1.92943 -0.00001 0.00001 0.00006 0.00007 1.92950 A10 1.90370 0.00000 0.00018 -0.00012 0.00006 1.90375 A11 1.89255 0.00001 -0.00003 0.00005 0.00001 1.89257 A12 1.90619 0.00001 0.00006 -0.00008 -0.00002 1.90616 A13 1.91859 0.00002 0.00037 -0.00040 -0.00002 1.91856 A14 2.17015 0.00004 0.00014 0.00013 0.00026 2.17042 A15 2.04311 -0.00001 0.00009 0.00006 0.00015 2.04326 A16 2.00794 -0.00003 0.00002 0.00007 0.00009 2.00804 A17 2.07637 0.00002 0.00006 -0.00004 0.00003 2.07640 A18 2.01541 -0.00000 -0.00001 -0.00000 -0.00002 2.01540 A19 2.19140 -0.00001 -0.00005 0.00004 -0.00001 2.19139 A20 2.08234 -0.00001 -0.00005 0.00003 -0.00002 2.08233 A21 2.15518 -0.00002 -0.00018 -0.00007 -0.00026 2.15492 A22 2.04727 0.00002 0.00004 -0.00003 0.00001 2.04727 A23 2.08064 0.00000 0.00015 0.00010 0.00025 2.08089 A24 2.06271 0.00001 0.00046 0.00005 0.00051 2.06322 A25 2.09439 -0.00001 -0.00044 -0.00002 -0.00046 2.09393 A26 2.12436 -0.00000 0.00007 -0.00004 0.00003 2.12439 A27 2.11175 0.00001 -0.00006 0.00008 0.00002 2.11177 A28 2.01887 -0.00004 -0.00009 -0.00010 -0.00019 2.01868 A29 2.15213 0.00003 0.00014 0.00001 0.00015 2.15228 A30 2.00876 0.00000 0.00006 -0.00009 -0.00004 2.00872 A31 2.03499 0.00002 0.00018 0.00004 0.00021 2.03520 A32 2.23730 -0.00002 -0.00019 0.00005 -0.00014 2.23716 A33 2.12846 0.00006 0.00026 -0.00006 0.00020 2.12867 A34 2.02018 -0.00006 -0.00019 -0.00004 -0.00023 2.01995 A35 2.13426 0.00000 -0.00008 0.00010 0.00002 2.13428 A36 1.94746 0.00003 0.00059 -0.00011 0.00049 1.94795 A37 1.92692 -0.00000 -0.00014 0.00004 -0.00010 1.92682 A38 1.96502 -0.00002 -0.00038 0.00003 -0.00034 1.96468 A39 1.88062 0.00003 0.00045 -0.00010 0.00036 1.88098 A40 1.89347 0.00000 -0.00002 0.00007 0.00005 1.89352 A41 1.84569 -0.00004 -0.00055 0.00007 -0.00047 1.84522 A42 2.10475 -0.00002 0.00000 -0.00004 -0.00004 2.10471 D1 1.07033 -0.00001 -0.00020 0.00003 -0.00017 1.07016 D2 -3.12062 -0.00001 -0.00012 -0.00006 -0.00018 -3.12080 D3 -1.01439 -0.00000 0.00014 -0.00028 -0.00014 -1.01453 D4 -3.10877 0.00000 -0.00030 0.00017 -0.00013 -3.10889 D5 -1.01653 0.00000 -0.00021 0.00008 -0.00013 -1.01667 D6 1.08970 0.00000 0.00005 -0.00014 -0.00009 1.08961 D7 -1.06869 0.00000 -0.00042 0.00014 -0.00028 -1.06897 D8 1.02354 0.00000 -0.00033 0.00005 -0.00028 1.02326 D9 3.12977 0.00000 -0.00007 -0.00017 -0.00024 3.12953 D10 -2.79245 0.00001 -0.00205 0.00019 -0.00186 -2.79431 D11 1.36705 -0.00002 -0.00212 0.00014 -0.00199 1.36506 D12 -0.66496 0.00001 -0.00178 0.00004 -0.00173 -0.66670 D13 1.61476 0.00003 0.00522 0.00014 0.00537 1.62013 D14 -1.46472 0.00002 0.00353 0.00039 0.00392 -1.46080 D15 -2.57555 0.00002 0.00518 0.00004 0.00521 -2.57034 D16 0.62815 0.00001 0.00349 0.00028 0.00377 0.63192 D17 -0.47761 0.00001 0.00507 0.00016 0.00523 -0.47237 D18 2.72609 -0.00000 0.00338 0.00041 0.00379 2.72988 D19 -2.76537 0.00000 -0.00045 -0.00055 -0.00100 -2.76637 D20 0.37464 0.00001 -0.00015 -0.00019 -0.00034 0.37430 D21 -0.01411 0.00001 0.00030 0.00026 0.00056 -0.01355 D22 3.12590 0.00002 0.00060 0.00062 0.00123 3.12713 D23 2.86265 0.00001 0.00073 0.00051 0.00124 2.86389 D24 -0.25405 0.00001 0.00094 0.00051 0.00144 -0.25261 D25 0.10439 -0.00001 -0.00002 -0.00028 -0.00031 0.10408 D26 -3.01232 0.00000 0.00019 -0.00029 -0.00010 -3.01242 D27 3.11622 0.00000 0.00045 0.00020 0.00065 3.11688 D28 -0.02361 -0.00001 0.00011 -0.00020 -0.00009 -0.02370 D29 -3.10740 0.00001 0.00017 -0.00026 -0.00009 -3.10749 D30 0.09858 0.00001 -0.00043 -0.00018 -0.00061 0.09796 D31 0.03249 0.00002 0.00050 0.00013 0.00063 0.03311 D32 -3.04472 0.00002 -0.00010 0.00020 0.00010 -3.04462 D33 -3.11473 -0.00001 -0.00133 0.00044 -0.00089 -3.11562 D34 0.01181 -0.00000 -0.00120 0.00040 -0.00080 0.01101 D35 -3.08955 -0.00001 0.00006 -0.00033 -0.00026 -3.08981 D36 -0.01119 0.00001 0.00177 -0.00058 0.00119 -0.01000 D37 0.03766 0.00000 0.00018 -0.00037 -0.00018 0.03748 D38 3.11602 0.00002 0.00189 -0.00062 0.00127 3.11729 D39 3.09914 0.00002 0.00057 0.00028 0.00085 3.09999 D40 -0.07309 0.00000 0.00032 0.00011 0.00042 -0.07267 D41 0.02190 0.00000 -0.00120 0.00054 -0.00066 0.02124 D42 3.13286 -0.00001 -0.00144 0.00036 -0.00109 3.13177 D43 -0.02995 -0.00002 0.00007 -0.00029 -0.00023 -0.03017 D44 3.03838 -0.00001 0.00076 -0.00038 0.00039 3.03877 D45 -3.13850 0.00000 0.00034 -0.00010 0.00024 -3.13825 D46 -0.07017 0.00001 0.00104 -0.00018 0.00086 -0.06931 D47 1.46630 0.00003 0.00124 0.00011 0.00134 1.46764 D48 -0.62459 -0.00003 0.00035 0.00028 0.00063 -0.62396 D49 -2.68289 0.00004 0.00137 0.00014 0.00151 -2.68138 D50 -1.60109 0.00003 0.00053 0.00020 0.00073 -1.60036 D51 2.59120 -0.00003 -0.00035 0.00037 0.00002 2.59123 D52 0.53290 0.00004 0.00067 0.00023 0.00090 0.53381 D53 -0.37827 -0.00003 -0.00110 -0.00040 -0.00149 -0.37976 D54 2.78830 -0.00002 -0.00089 -0.00040 -0.00129 2.78701 D55 0.79215 0.00004 0.00045 0.00003 0.00048 0.79263 D56 -1.33860 -0.00002 -0.00050 0.00020 -0.00030 -1.33889 D57 2.92238 -0.00001 -0.00041 0.00013 -0.00028 2.92209 Item Value Threshold Converged? Maximum Force 0.000118 0.000450 YES RMS Force 0.000030 0.000300 YES Maximum Displacement 0.009910 0.001800 NO RMS Displacement 0.002917 0.001200 NO Predicted change in Energy=-3.860765D-07 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 7.002824 -5.007085 2.221948 2 6 0 7.178667 -4.669524 3.688293 3 8 0 6.793254 -6.376365 2.108647 4 7 0 2.759792 -2.150787 0.219444 5 6 0 3.841734 -2.856007 0.676978 6 7 0 5.014091 -2.357906 0.531860 7 6 0 6.098488 -3.043632 1.012951 8 8 0 7.221677 -2.636652 0.941160 9 7 0 5.854835 -4.281046 1.636009 10 6 0 4.602510 -4.775921 1.769620 11 6 0 3.542724 -4.111379 1.288215 12 1 0 7.861850 -4.690177 1.656775 13 1 0 8.044597 -5.189903 4.078743 14 1 0 7.323089 -3.603239 3.807572 15 6 0 1.461921 -2.334928 0.664973 16 1 0 2.940584 -1.263385 -0.200946 17 1 0 4.529595 -5.731331 2.251455 18 6 0 2.115575 -4.558275 1.237885 19 1 0 6.307721 -4.977764 4.257223 20 1 0 6.983252 -6.660332 1.223826 21 8 0 0.611821 -1.540892 0.459895 22 1 0 1.885894 -5.056944 0.302422 23 8 0 1.243274 -3.444075 1.360804 24 1 0 1.860230 -5.220450 2.050247 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.514937 0.000000 3 O 1.389851 2.357356 0.000000 4 N 5.492885 6.156574 6.139497 0.000000 5 C 4.123902 4.846853 4.811868 1.370135 0.000000 6 N 3.718818 4.471246 4.669015 2.285249 1.282024 7 C 2.476822 3.311762 3.576361 3.545944 2.289328 8 O 2.703196 3.417771 3.941069 4.545916 3.397341 9 N 1.479303 2.472917 2.344010 4.015464 2.646328 10 C 2.453476 3.213909 2.734177 3.562300 2.336390 11 C 3.694109 4.392264 4.045889 2.366258 1.427927 12 H 1.076000 2.143415 2.046782 5.877535 4.526094 13 H 2.136914 1.083088 2.618173 7.215233 5.889239 14 H 2.141858 1.082613 3.295042 5.983975 4.741182 15 C 6.345566 6.875463 6.844014 1.384512 2.436222 16 H 6.032205 6.685007 6.805869 0.998447 2.029597 17 H 2.577259 3.195234 2.358096 4.481246 3.349570 18 C 5.005498 5.625991 5.093561 2.692255 2.488364 19 H 2.150900 1.085007 2.609254 6.073159 4.837468 20 H 1.931284 3.174130 0.948497 6.259584 4.963977 21 O 7.480926 7.958289 8.019370 2.245790 3.494136 22 H 5.465349 6.295050 5.393098 3.035842 2.968118 23 O 6.029676 6.492135 6.321383 2.296764 2.750534 24 H 5.149881 5.592181 5.066979 3.685632 3.376806 6 7 8 9 10 6 N 0.000000 7 C 1.370251 0.000000 8 O 2.262446 1.196804 0.000000 9 N 2.371595 1.406685 2.248356 0.000000 10 C 2.747407 2.410668 3.481788 1.353170 0.000000 11 C 2.410738 2.783484 3.978688 2.344270 1.340341 12 H 3.848982 2.497012 2.266913 2.048397 3.262420 13 H 5.457523 4.218163 4.128040 3.404120 4.165500 14 H 4.196738 3.102049 3.026696 2.707559 3.595828 15 C 3.554737 4.703308 5.774262 4.901834 4.128195 16 H 2.456504 3.822981 4.638752 4.579688 4.356953 17 H 3.817295 3.349484 4.305951 2.058727 1.072516 18 C 3.706951 4.267123 5.463786 3.770599 2.552442 19 H 4.734498 3.782849 4.160816 2.749779 3.022689 20 H 4.781975 3.729316 4.040637 2.665375 3.084936 21 O 4.478021 5.715559 6.717329 6.031657 5.301546 22 H 4.138002 4.722735 5.893757 4.258281 3.100266 23 O 4.010732 4.884103 6.047258 4.694971 3.636676 24 H 4.521780 4.876203 6.054023 4.124432 2.792214 11 12 13 14 15 11 C 0.000000 12 H 4.373294 0.000000 13 H 5.405286 2.479727 0.000000 14 H 4.571271 2.469337 1.763977 0.000000 15 C 2.806056 6.891297 7.945838 6.770364 0.000000 16 H 3.269747 6.277969 7.732026 6.383532 2.021006 17 H 2.127437 3.541408 3.998421 3.841079 4.843873 18 C 1.496330 5.763033 6.604751 5.885030 2.387209 19 H 4.148595 3.043083 1.758863 1.767054 6.585638 20 H 4.282353 2.200202 3.382184 4.017095 7.036088 21 O 3.985437 7.994589 9.036454 7.778260 1.181194 22 H 2.147316 6.138472 7.225503 6.630416 2.778592 23 O 2.395419 6.741359 7.529483 6.555620 1.327477 24 H 2.154418 6.037835 6.508619 5.962079 3.225504 16 17 18 19 20 16 H 0.000000 17 H 5.338705 0.000000 18 C 3.688791 2.868950 0.000000 19 H 6.708912 2.784367 5.183287 0.000000 20 H 6.892037 2.817711 5.302181 3.533960 0.000000 21 O 2.436568 6.009860 3.459934 7.659965 8.208982 22 H 3.969489 3.353010 1.084673 5.932897 5.422443 23 O 3.174167 4.101793 1.420373 6.032418 6.581065 24 H 4.679039 2.725251 1.078707 4.970897 5.385312 21 22 23 24 21 O 0.000000 22 H 3.743085 0.000000 23 O 2.198289 2.033343 0.000000 24 H 4.198439 1.755644 2.002867 0.000000 Stoichiometry C8H9N3O4 Framework group C1[X(C8H9N3O4)] Deg. of freedom 66 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 3.027923 -0.243276 -0.031544 2 6 0 3.444107 -0.421337 1.414181 3 8 0 3.318442 -1.415364 -0.719653 4 7 0 -2.335900 0.924719 -0.223825 5 6 0 -0.990643 0.665073 -0.212070 6 7 0 -0.168360 1.648649 -0.215935 7 6 0 1.178044 1.397483 -0.174723 8 8 0 2.009474 2.257957 -0.149266 9 7 0 1.582432 0.050536 -0.143644 10 6 0 0.684674 -0.961935 -0.142255 11 6 0 -0.632036 -0.716986 -0.195051 12 1 0 3.527931 0.604780 -0.465788 13 1 0 4.510836 -0.601943 1.464695 14 1 0 3.209284 0.471729 1.979285 15 6 0 -3.307516 0.032695 0.197040 16 1 0 -2.613575 1.883777 -0.222966 17 1 0 1.099776 -1.950743 -0.126775 18 6 0 -1.751583 -1.701490 -0.322997 19 1 0 2.931252 -1.268994 1.856558 20 1 0 3.360908 -1.241319 -1.651077 21 8 0 -4.412858 0.376805 0.431618 22 1 0 -2.016900 -1.872040 -1.360800 23 8 0 -2.909255 -1.224635 0.347723 24 1 0 -1.520966 -2.652051 0.131820 --------------------------------------------------------------------- Rotational constants (GHZ): 1.4344635 0.3627774 0.3097284 Standard basis: 6-31G(d) (6D, 7F) There are 243 symmetry adapted cartesian basis functions of A symmetry. There are 243 symmetry adapted basis functions of A symmetry. 243 basis functions, 456 primitive gaussians, 243 cartesian basis functions 55 alpha electrons 55 beta electrons nuclear repulsion energy 1026.5130273350 Hartrees. NAtoms= 24 NActive= 24 NUniq= 24 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. One-electron integrals computed using PRISM. NBasis= 243 RedAO= T EigKep= 8.38D-04 NBF= 243 NBsUse= 243 1.00D-06 EigRej= -1.00D+00 NBFU= 243 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 -0.000000 0.000000 Rot= 1.000000 -0.000820 0.000015 -0.000054 Ang= -0.09 deg. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. SCF Done: E(RHF) = -771.027621657 A.U. after 9 cycles NFock= 9 Conv=0.87D-08 -V/T= 2.0016 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 0.000010242 0.000018011 0.000011811 2 6 -0.000001396 0.000003324 -0.000003127 3 8 -0.000006953 -0.000012734 -0.000025846 4 7 0.000001589 0.000015755 0.000050862 5 6 -0.000006917 -0.000023191 -0.000040865 6 7 0.000007604 -0.000005207 0.000007351 7 6 -0.000001840 0.000039684 -0.000018177 8 8 -0.000000056 -0.000012538 0.000004648 9 7 0.000000488 -0.000026111 0.000023968 10 6 -0.000003749 0.000008490 -0.000010058 11 6 -0.000004826 0.000001993 0.000019789 12 1 0.000003231 0.000000419 0.000000683 13 1 -0.000001642 0.000003356 -0.000003181 14 1 0.000003841 0.000004614 0.000007493 15 6 0.000014603 -0.000004857 -0.000016602 16 1 -0.000000312 -0.000006903 -0.000007831 17 1 0.000003416 -0.000000970 0.000002960 18 6 0.000000866 -0.000009174 -0.000027096 19 1 -0.000002136 0.000000322 0.000000687 20 1 0.000001050 -0.000013565 0.000004453 21 8 -0.000020060 0.000007903 -0.000008514 22 1 0.000008295 -0.000008832 -0.000000310 23 8 -0.000003876 0.000011613 0.000027825 24 1 -0.000001464 0.000008598 -0.000000923 ------------------------------------------------------------------- Cartesian Forces: Max 0.000050862 RMS 0.000014012 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000028545 RMS 0.000006601 Search for a local minimum. Step number 37 out of a maximum of 134 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swapping is turned off. Update second derivatives using D2CorX and points 30 31 32 33 34 35 36 37 DE= -5.89D-07 DEPred=-3.86D-07 R= 1.52D+00 Trust test= 1.52D+00 RLast= 1.29D-02 DXMaxT set to 9.87D-01 ITU= 0 1 1 1 1 0 1 1 1 -1 -1 1 1 1 0 -1 1 1 0 0 ITU= 0 0 1 0 0 0 0 1 1 1 1 1 1 -1 1 1 0 Eigenvalues --- 0.00235 0.00276 0.00515 0.00665 0.00822 Eigenvalues --- 0.01274 0.01707 0.01809 0.02008 0.02044 Eigenvalues --- 0.02348 0.02693 0.02925 0.05588 0.05793 Eigenvalues --- 0.05984 0.07047 0.07634 0.07760 0.08031 Eigenvalues --- 0.08376 0.09114 0.12663 0.12769 0.14655 Eigenvalues --- 0.15735 0.15984 0.16275 0.16602 0.18264 Eigenvalues --- 0.19573 0.20867 0.22220 0.23212 0.23588 Eigenvalues --- 0.24513 0.24762 0.24990 0.26897 0.27620 Eigenvalues --- 0.30105 0.31618 0.33530 0.33719 0.33861 Eigenvalues --- 0.33994 0.34047 0.34312 0.34615 0.35853 Eigenvalues --- 0.38533 0.40358 0.42487 0.44156 0.45437 Eigenvalues --- 0.45943 0.48034 0.48935 0.49363 0.51625 Eigenvalues --- 0.52265 0.58198 0.59482 0.72214 0.88399 Eigenvalues --- 1.05602 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 37 36 35 34 33 32 31 RFO step: Lambda=-6.65155259D-08. DidBck=F Rises=F RFO-DIIS coefs: 1.00867 0.28333 -0.28203 -0.03048 0.02019 RFO-DIIS coefs: 0.00158 -0.00126 Iteration 1 RMS(Cart)= 0.00045600 RMS(Int)= 0.00000022 Iteration 2 RMS(Cart)= 0.00000010 RMS(Int)= 0.00000021 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.86282 0.00000 -0.00004 0.00004 -0.00000 2.86282 R2 2.62644 0.00003 -0.00007 0.00010 0.00003 2.62647 R3 2.79548 0.00000 0.00008 -0.00007 0.00001 2.79549 R4 2.03335 0.00000 -0.00000 0.00000 -0.00000 2.03334 R5 2.04674 -0.00000 -0.00000 -0.00001 -0.00001 2.04673 R6 2.04584 0.00001 -0.00002 0.00004 0.00002 2.04586 R7 2.05037 0.00000 -0.00000 0.00000 0.00000 2.05037 R8 1.79240 0.00000 -0.00002 0.00002 -0.00000 1.79240 R9 2.58918 -0.00000 -0.00001 0.00000 -0.00001 2.58917 R10 2.61635 -0.00000 -0.00002 -0.00000 -0.00002 2.61633 R11 1.88679 -0.00000 -0.00000 -0.00000 -0.00001 1.88678 R12 2.42267 0.00001 0.00000 0.00001 0.00001 2.42268 R13 2.69839 -0.00000 -0.00005 0.00004 -0.00001 2.69838 R14 2.58940 -0.00001 0.00003 -0.00003 -0.00000 2.58940 R15 2.26163 -0.00000 0.00004 -0.00004 0.00000 2.26163 R16 2.65825 0.00002 -0.00016 0.00015 -0.00001 2.65824 R17 2.55712 0.00000 0.00002 -0.00002 0.00000 2.55712 R18 2.53288 0.00000 -0.00002 0.00002 -0.00000 2.53287 R19 2.02676 0.00000 -0.00001 0.00002 0.00001 2.02677 R20 2.82765 -0.00000 -0.00001 0.00000 -0.00001 2.82764 R21 2.23213 0.00002 0.00001 0.00000 0.00001 2.23215 R22 2.50857 0.00001 0.00005 -0.00004 0.00002 2.50858 R23 2.04974 0.00000 0.00001 -0.00001 -0.00000 2.04973 R24 2.68412 0.00002 -0.00002 0.00005 0.00004 2.68416 R25 2.03846 -0.00001 0.00000 -0.00001 -0.00001 2.03845 A1 1.89223 0.00001 -0.00014 0.00016 0.00002 1.89226 A2 1.94347 -0.00001 0.00003 -0.00004 -0.00001 1.94345 A3 1.92849 -0.00000 0.00006 -0.00004 0.00001 1.92850 A4 1.91158 -0.00001 0.00002 -0.00007 -0.00005 1.91153 A5 1.94736 -0.00000 0.00005 -0.00004 0.00001 1.94737 A6 1.84102 0.00001 -0.00001 0.00002 0.00001 1.84104 A7 1.91206 -0.00000 -0.00007 0.00002 -0.00006 1.91200 A8 1.91940 0.00001 -0.00005 0.00011 0.00006 1.91947 A9 1.92950 -0.00000 0.00002 -0.00001 0.00001 1.92951 A10 1.90375 -0.00000 0.00005 -0.00006 -0.00001 1.90374 A11 1.89257 0.00000 0.00001 -0.00001 -0.00000 1.89256 A12 1.90616 -0.00000 0.00004 -0.00005 -0.00001 1.90616 A13 1.91856 0.00002 -0.00011 0.00021 0.00010 1.91866 A14 2.17042 0.00001 0.00005 0.00006 0.00011 2.17053 A15 2.04326 -0.00000 0.00003 0.00002 0.00005 2.04331 A16 2.00804 -0.00000 0.00001 0.00004 0.00005 2.00809 A17 2.07640 -0.00000 0.00001 -0.00003 -0.00001 2.07638 A18 2.01540 -0.00000 -0.00000 0.00002 0.00002 2.01541 A19 2.19139 0.00000 -0.00001 0.00001 -0.00000 2.19139 A20 2.08233 0.00000 -0.00002 0.00004 0.00001 2.08234 A21 2.15492 0.00002 -0.00008 0.00011 0.00003 2.15495 A22 2.04727 -0.00000 0.00002 -0.00003 -0.00001 2.04726 A23 2.08089 -0.00001 0.00006 -0.00008 -0.00002 2.08087 A24 2.06322 -0.00000 0.00008 -0.00001 0.00007 2.06329 A25 2.09393 0.00001 -0.00008 0.00003 -0.00005 2.09388 A26 2.12439 -0.00001 0.00002 -0.00002 -0.00000 2.12438 A27 2.11177 0.00001 -0.00002 0.00004 0.00002 2.11179 A28 2.01868 -0.00001 -0.00002 -0.00001 -0.00003 2.01865 A29 2.15228 0.00000 0.00003 -0.00002 0.00001 2.15230 A30 2.00872 -0.00000 0.00002 -0.00003 -0.00001 2.00871 A31 2.03520 -0.00000 0.00005 -0.00003 0.00002 2.03522 A32 2.23716 0.00001 -0.00006 0.00005 -0.00001 2.23715 A33 2.12867 0.00001 0.00006 -0.00002 0.00004 2.12871 A34 2.01995 -0.00001 -0.00004 0.00002 -0.00003 2.01993 A35 2.13428 -0.00000 -0.00002 0.00000 -0.00001 2.13427 A36 1.94795 -0.00001 0.00017 -0.00014 0.00003 1.94798 A37 1.92682 0.00000 -0.00007 0.00005 -0.00002 1.92680 A38 1.96468 -0.00000 -0.00006 0.00002 -0.00004 1.96464 A39 1.88098 0.00001 0.00008 0.00002 0.00010 1.88108 A40 1.89352 0.00000 0.00001 -0.00000 0.00001 1.89353 A41 1.84522 -0.00001 -0.00015 0.00007 -0.00008 1.84514 A42 2.10471 -0.00001 0.00000 -0.00001 -0.00001 2.10470 D1 1.07016 0.00000 -0.00004 -0.00001 -0.00005 1.07010 D2 -3.12080 0.00000 -0.00005 -0.00001 -0.00006 -3.12086 D3 -1.01453 0.00000 -0.00002 -0.00000 -0.00002 -1.01455 D4 -3.10889 -0.00000 -0.00009 -0.00002 -0.00011 -3.10901 D5 -1.01667 -0.00000 -0.00010 -0.00002 -0.00012 -1.01679 D6 1.08961 -0.00000 -0.00007 -0.00001 -0.00008 1.08952 D7 -1.06897 -0.00000 -0.00004 -0.00005 -0.00009 -1.06906 D8 1.02326 -0.00000 -0.00005 -0.00005 -0.00010 1.02316 D9 3.12953 0.00000 -0.00002 -0.00004 -0.00006 3.12947 D10 -2.79431 0.00000 0.00019 0.00001 0.00020 -2.79411 D11 1.36506 0.00000 0.00023 0.00001 0.00024 1.36529 D12 -0.66670 0.00000 0.00020 0.00005 0.00024 -0.66645 D13 1.62013 -0.00000 0.00097 -0.00007 0.00090 1.62103 D14 -1.46080 -0.00000 0.00058 0.00000 0.00058 -1.46022 D15 -2.57034 0.00001 0.00083 0.00006 0.00089 -2.56945 D16 0.63192 0.00000 0.00043 0.00013 0.00056 0.63248 D17 -0.47237 0.00000 0.00089 -0.00001 0.00088 -0.47149 D18 2.72988 0.00000 0.00050 0.00006 0.00056 2.73044 D19 -2.76637 -0.00000 -0.00005 -0.00018 -0.00022 -2.76659 D20 0.37430 -0.00001 -0.00020 -0.00031 -0.00051 0.37379 D21 -0.01355 0.00001 0.00023 0.00020 0.00044 -0.01311 D22 3.12713 0.00000 0.00008 0.00007 0.00015 3.12728 D23 2.86389 0.00001 0.00027 0.00025 0.00052 2.86440 D24 -0.25261 0.00001 0.00032 0.00024 0.00057 -0.25204 D25 0.10408 -0.00000 -0.00001 -0.00012 -0.00013 0.10395 D26 -3.01242 -0.00000 0.00005 -0.00013 -0.00008 -3.01250 D27 3.11688 -0.00001 -0.00001 -0.00017 -0.00018 3.11670 D28 -0.02370 0.00000 0.00016 -0.00002 0.00014 -0.02356 D29 -3.10749 0.00001 0.00018 0.00004 0.00022 -3.10727 D30 0.09796 0.00001 0.00006 0.00018 0.00024 0.09821 D31 0.03311 -0.00000 0.00001 -0.00010 -0.00009 0.03303 D32 -3.04462 0.00000 -0.00010 0.00004 -0.00006 -3.04468 D33 -3.11562 -0.00000 -0.00032 0.00012 -0.00020 -3.11583 D34 0.01101 -0.00000 -0.00033 0.00012 -0.00021 0.01079 D35 -3.08981 -0.00000 -0.00004 -0.00003 -0.00007 -3.08988 D36 -0.01000 -0.00000 0.00036 -0.00010 0.00026 -0.00974 D37 0.03748 -0.00000 -0.00005 -0.00003 -0.00008 0.03740 D38 3.11729 0.00000 0.00035 -0.00010 0.00025 3.11754 D39 3.09999 0.00000 0.00022 -0.00009 0.00012 3.10012 D40 -0.07267 0.00000 0.00006 0.00011 0.00017 -0.07249 D41 0.02124 -0.00000 -0.00019 -0.00002 -0.00022 0.02103 D42 3.13177 0.00000 -0.00035 0.00018 -0.00017 3.13160 D43 -0.03017 0.00000 0.00000 0.00012 0.00012 -0.03005 D44 3.03877 -0.00000 0.00015 -0.00005 0.00010 3.03886 D45 -3.13825 0.00000 0.00018 -0.00011 0.00007 -3.13819 D46 -0.06931 -0.00000 0.00032 -0.00027 0.00004 -0.06927 D47 1.46764 0.00001 0.00015 -0.00006 0.00009 1.46773 D48 -0.62396 -0.00001 -0.00002 -0.00002 -0.00004 -0.62400 D49 -2.68138 0.00000 0.00025 -0.00016 0.00010 -2.68128 D50 -1.60036 0.00001 0.00001 0.00011 0.00012 -1.60024 D51 2.59123 -0.00000 -0.00016 0.00015 -0.00002 2.59121 D52 0.53381 0.00000 0.00011 0.00001 0.00012 0.53393 D53 -0.37976 -0.00000 -0.00030 -0.00004 -0.00034 -0.38011 D54 2.78701 -0.00001 -0.00025 -0.00005 -0.00029 2.78672 D55 0.79263 0.00000 0.00014 -0.00005 0.00010 0.79272 D56 -1.33889 0.00000 -0.00008 0.00009 0.00001 -1.33889 D57 2.92209 0.00000 -0.00006 0.00005 -0.00001 2.92208 Item Value Threshold Converged? Maximum Force 0.000029 0.000450 YES RMS Force 0.000007 0.000300 YES Maximum Displacement 0.001374 0.001800 YES RMS Displacement 0.000456 0.001200 YES Predicted change in Energy=-3.203134D-08 Optimization completed. -- Stationary point found. ---------------------------- ! Optimized Parameters ! ! (Angstroms and Degrees) ! -------------------------- -------------------------- ! Name Definition Value Derivative Info. ! -------------------------------------------------------------------------------- ! R1 R(1,2) 1.5149 -DE/DX = 0.0 ! ! R2 R(1,3) 1.3899 -DE/DX = 0.0 ! ! R3 R(1,9) 1.4793 -DE/DX = 0.0 ! ! R4 R(1,12) 1.076 -DE/DX = 0.0 ! ! R5 R(2,13) 1.0831 -DE/DX = 0.0 ! ! R6 R(2,14) 1.0826 -DE/DX = 0.0 ! ! R7 R(2,19) 1.085 -DE/DX = 0.0 ! ! R8 R(3,20) 0.9485 -DE/DX = 0.0 ! ! R9 R(4,5) 1.3701 -DE/DX = 0.0 ! ! R10 R(4,15) 1.3845 -DE/DX = 0.0 ! ! R11 R(4,16) 0.9984 -DE/DX = 0.0 ! ! R12 R(5,6) 1.282 -DE/DX = 0.0 ! ! R13 R(5,11) 1.4279 -DE/DX = 0.0 ! ! R14 R(6,7) 1.3703 -DE/DX = 0.0 ! ! R15 R(7,8) 1.1968 -DE/DX = 0.0 ! ! R16 R(7,9) 1.4067 -DE/DX = 0.0 ! ! R17 R(9,10) 1.3532 -DE/DX = 0.0 ! ! R18 R(10,11) 1.3403 -DE/DX = 0.0 ! ! R19 R(10,17) 1.0725 -DE/DX = 0.0 ! ! R20 R(11,18) 1.4963 -DE/DX = 0.0 ! ! R21 R(15,21) 1.1812 -DE/DX = 0.0 ! ! R22 R(15,23) 1.3275 -DE/DX = 0.0 ! ! R23 R(18,22) 1.0847 -DE/DX = 0.0 ! ! R24 R(18,23) 1.4204 -DE/DX = 0.0 ! ! R25 R(18,24) 1.0787 -DE/DX = 0.0 ! ! A1 A(2,1,3) 108.417 -DE/DX = 0.0 ! ! A2 A(2,1,9) 111.3524 -DE/DX = 0.0 ! ! A3 A(2,1,12) 110.4942 -DE/DX = 0.0 ! ! A4 A(3,1,9) 109.5257 -DE/DX = 0.0 ! ! A5 A(3,1,12) 111.5755 -DE/DX = 0.0 ! ! A6 A(9,1,12) 105.4827 -DE/DX = 0.0 ! ! A7 A(1,2,13) 109.5529 -DE/DX = 0.0 ! ! A8 A(1,2,14) 109.9737 -DE/DX = 0.0 ! ! A9 A(1,2,19) 110.5523 -DE/DX = 0.0 ! ! A10 A(13,2,14) 109.0771 -DE/DX = 0.0 ! ! A11 A(13,2,19) 108.436 -DE/DX = 0.0 ! ! A12 A(14,2,19) 109.2152 -DE/DX = 0.0 ! ! A13 A(1,3,20) 109.9255 -DE/DX = 0.0 ! ! A14 A(5,4,15) 124.3558 -DE/DX = 0.0 ! ! A15 A(5,4,16) 117.07 -DE/DX = 0.0 ! ! A16 A(15,4,16) 115.052 -DE/DX = 0.0 ! ! A17 A(4,5,6) 118.9688 -DE/DX = 0.0 ! ! A18 A(4,5,11) 115.4737 -DE/DX = 0.0 ! ! A19 A(6,5,11) 125.5574 -DE/DX = 0.0 ! ! A20 A(5,6,7) 119.3086 -DE/DX = 0.0 ! ! A21 A(6,7,8) 123.468 -DE/DX = 0.0 ! ! A22 A(6,7,9) 117.3002 -DE/DX = 0.0 ! ! A23 A(8,7,9) 119.2264 -DE/DX = 0.0 ! ! A24 A(1,9,7) 118.2136 -DE/DX = 0.0 ! ! A25 A(1,9,10) 119.9734 -DE/DX = 0.0 ! ! A26 A(7,9,10) 121.7184 -DE/DX = 0.0 ! ! A27 A(9,10,11) 120.9956 -DE/DX = 0.0 ! ! A28 A(9,10,17) 115.662 -DE/DX = 0.0 ! ! A29 A(11,10,17) 123.3168 -DE/DX = 0.0 ! ! A30 A(5,11,10) 115.0912 -DE/DX = 0.0 ! ! A31 A(5,11,18) 116.6085 -DE/DX = 0.0 ! ! A32 A(10,11,18) 128.1798 -DE/DX = 0.0 ! ! A33 A(4,15,21) 121.9637 -DE/DX = 0.0 ! ! A34 A(4,15,23) 115.7347 -DE/DX = 0.0 ! ! A35 A(21,15,23) 122.2853 -DE/DX = 0.0 ! ! A36 A(11,18,22) 111.6094 -DE/DX = 0.0 ! ! A37 A(11,18,23) 110.3985 -DE/DX = 0.0 ! ! A38 A(11,18,24) 112.5677 -DE/DX = 0.0 ! ! A39 A(22,18,23) 107.7721 -DE/DX = 0.0 ! ! A40 A(22,18,24) 108.4907 -DE/DX = 0.0 ! ! A41 A(23,18,24) 105.7233 -DE/DX = 0.0 ! ! A42 A(15,23,18) 120.5912 -DE/DX = 0.0 ! ! D1 D(3,1,2,13) 61.3154 -DE/DX = 0.0 ! ! D2 D(3,1,2,14) -178.8087 -DE/DX = 0.0 ! ! D3 D(3,1,2,19) -58.1283 -DE/DX = 0.0 ! ! D4 D(9,1,2,13) -178.1265 -DE/DX = 0.0 ! ! D5 D(9,1,2,14) -58.2507 -DE/DX = 0.0 ! ! D6 D(9,1,2,19) 62.4298 -DE/DX = 0.0 ! ! D7 D(12,1,2,13) -61.2475 -DE/DX = 0.0 ! ! D8 D(12,1,2,14) 58.6283 -DE/DX = 0.0 ! ! D9 D(12,1,2,19) 179.3088 -DE/DX = 0.0 ! ! D10 D(2,1,3,20) -160.1024 -DE/DX = 0.0 ! ! D11 D(9,1,3,20) 78.212 -DE/DX = 0.0 ! ! D12 D(12,1,3,20) -38.1989 -DE/DX = 0.0 ! ! D13 D(2,1,9,7) 92.8266 -DE/DX = 0.0 ! ! D14 D(2,1,9,10) -83.6977 -DE/DX = 0.0 ! ! D15 D(3,1,9,7) -147.2694 -DE/DX = 0.0 ! ! D16 D(3,1,9,10) 36.2063 -DE/DX = 0.0 ! ! D17 D(12,1,9,7) -27.065 -DE/DX = 0.0 ! ! D18 D(12,1,9,10) 156.4107 -DE/DX = 0.0 ! ! D19 D(15,4,5,6) -158.5012 -DE/DX = 0.0 ! ! D20 D(15,4,5,11) 21.4461 -DE/DX = 0.0 ! ! D21 D(16,4,5,6) -0.7761 -DE/DX = 0.0 ! ! D22 D(16,4,5,11) 179.1712 -DE/DX = 0.0 ! ! D23 D(5,4,15,21) 164.0888 -DE/DX = 0.0 ! ! D24 D(5,4,15,23) -14.4735 -DE/DX = 0.0 ! ! D25 D(16,4,15,21) 5.9634 -DE/DX = 0.0 ! ! D26 D(16,4,15,23) -172.5989 -DE/DX = 0.0 ! ! D27 D(4,5,6,7) 178.5839 -DE/DX = 0.0 ! ! D28 D(11,5,6,7) -1.3577 -DE/DX = 0.0 ! ! D29 D(4,5,11,10) -178.0462 -DE/DX = 0.0 ! ! D30 D(4,5,11,18) 5.6129 -DE/DX = 0.0 ! ! D31 D(6,5,11,10) 1.8972 -DE/DX = 0.0 ! ! D32 D(6,5,11,18) -174.4437 -DE/DX = 0.0 ! ! D33 D(5,6,7,8) -178.512 -DE/DX = 0.0 ! ! D34 D(5,6,7,9) 0.6307 -DE/DX = 0.0 ! ! D35 D(6,7,9,1) -177.0333 -DE/DX = 0.0 ! ! D36 D(6,7,9,10) -0.5728 -DE/DX = 0.0 ! ! D37 D(8,7,9,1) 2.1473 -DE/DX = 0.0 ! ! D38 D(8,7,9,10) 178.6077 -DE/DX = 0.0 ! ! D39 D(1,9,10,11) 177.6165 -DE/DX = 0.0 ! ! D40 D(1,9,10,17) -4.1634 -DE/DX = 0.0 ! ! D41 D(7,9,10,11) 1.2172 -DE/DX = 0.0 ! ! D42 D(7,9,10,17) 179.4372 -DE/DX = 0.0 ! ! D43 D(9,10,11,5) -1.7287 -DE/DX = 0.0 ! ! D44 D(9,10,11,18) 174.1086 -DE/DX = 0.0 ! ! D45 D(17,10,11,5) -179.8087 -DE/DX = 0.0 ! ! D46 D(17,10,11,18) -3.9714 -DE/DX = 0.0 ! ! D47 D(5,11,18,22) 84.0896 -DE/DX = 0.0 ! ! D48 D(5,11,18,23) -35.7501 -DE/DX = 0.0 ! ! D49 D(5,11,18,24) -153.6316 -DE/DX = 0.0 ! ! D50 D(10,11,18,22) -91.6939 -DE/DX = 0.0 ! ! D51 D(10,11,18,23) 148.4664 -DE/DX = 0.0 ! ! D52 D(10,11,18,24) 30.585 -DE/DX = 0.0 ! ! D53 D(4,15,23,18) -21.7589 -DE/DX = 0.0 ! ! D54 D(21,15,23,18) 159.6839 -DE/DX = 0.0 ! ! D55 D(11,18,23,15) 45.4142 -DE/DX = 0.0 ! ! D56 D(22,18,23,15) -76.713 -DE/DX = 0.0 ! ! D57 D(24,18,23,15) 167.4236 -DE/DX = 0.0 ! -------------------------------------------------------------------------------- GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 7.002824 -5.007085 2.221948 2 6 0 7.178667 -4.669524 3.688293 3 8 0 6.793254 -6.376365 2.108647 4 7 0 2.759792 -2.150787 0.219444 5 6 0 3.841734 -2.856007 0.676978 6 7 0 5.014091 -2.357906 0.531860 7 6 0 6.098488 -3.043632 1.012951 8 8 0 7.221677 -2.636652 0.941160 9 7 0 5.854835 -4.281046 1.636009 10 6 0 4.602510 -4.775921 1.769620 11 6 0 3.542724 -4.111379 1.288215 12 1 0 7.861850 -4.690177 1.656775 13 1 0 8.044597 -5.189903 4.078743 14 1 0 7.323089 -3.603239 3.807572 15 6 0 1.461921 -2.334928 0.664973 16 1 0 2.940584 -1.263385 -0.200946 17 1 0 4.529595 -5.731331 2.251455 18 6 0 2.115575 -4.558275 1.237885 19 1 0 6.307721 -4.977764 4.257223 20 1 0 6.983252 -6.660332 1.223826 21 8 0 0.611821 -1.540892 0.459895 22 1 0 1.885894 -5.056944 0.302422 23 8 0 1.243274 -3.444075 1.360804 24 1 0 1.860230 -5.220450 2.050247 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.514937 0.000000 3 O 1.389851 2.357356 0.000000 4 N 5.492885 6.156574 6.139497 0.000000 5 C 4.123902 4.846853 4.811868 1.370135 0.000000 6 N 3.718818 4.471246 4.669015 2.285249 1.282024 7 C 2.476822 3.311762 3.576361 3.545944 2.289328 8 O 2.703196 3.417771 3.941069 4.545916 3.397341 9 N 1.479303 2.472917 2.344010 4.015464 2.646328 10 C 2.453476 3.213909 2.734177 3.562300 2.336390 11 C 3.694109 4.392264 4.045889 2.366258 1.427927 12 H 1.076000 2.143415 2.046782 5.877535 4.526094 13 H 2.136914 1.083088 2.618173 7.215233 5.889239 14 H 2.141858 1.082613 3.295042 5.983975 4.741182 15 C 6.345566 6.875463 6.844014 1.384512 2.436222 16 H 6.032205 6.685007 6.805869 0.998447 2.029597 17 H 2.577259 3.195234 2.358096 4.481246 3.349570 18 C 5.005498 5.625991 5.093561 2.692255 2.488364 19 H 2.150900 1.085007 2.609254 6.073159 4.837468 20 H 1.931284 3.174130 0.948497 6.259584 4.963977 21 O 7.480926 7.958289 8.019370 2.245790 3.494136 22 H 5.465349 6.295050 5.393098 3.035842 2.968118 23 O 6.029676 6.492135 6.321383 2.296764 2.750534 24 H 5.149881 5.592181 5.066979 3.685632 3.376806 6 7 8 9 10 6 N 0.000000 7 C 1.370251 0.000000 8 O 2.262446 1.196804 0.000000 9 N 2.371595 1.406685 2.248356 0.000000 10 C 2.747407 2.410668 3.481788 1.353170 0.000000 11 C 2.410738 2.783484 3.978688 2.344270 1.340341 12 H 3.848982 2.497012 2.266913 2.048397 3.262420 13 H 5.457523 4.218163 4.128040 3.404120 4.165500 14 H 4.196738 3.102049 3.026696 2.707559 3.595828 15 C 3.554737 4.703308 5.774262 4.901834 4.128195 16 H 2.456504 3.822981 4.638752 4.579688 4.356953 17 H 3.817295 3.349484 4.305951 2.058727 1.072516 18 C 3.706951 4.267123 5.463786 3.770599 2.552442 19 H 4.734498 3.782849 4.160816 2.749779 3.022689 20 H 4.781975 3.729316 4.040637 2.665375 3.084936 21 O 4.478021 5.715559 6.717329 6.031657 5.301546 22 H 4.138002 4.722735 5.893757 4.258281 3.100266 23 O 4.010732 4.884103 6.047258 4.694971 3.636676 24 H 4.521780 4.876203 6.054023 4.124432 2.792214 11 12 13 14 15 11 C 0.000000 12 H 4.373294 0.000000 13 H 5.405286 2.479727 0.000000 14 H 4.571271 2.469337 1.763977 0.000000 15 C 2.806056 6.891297 7.945838 6.770364 0.000000 16 H 3.269747 6.277969 7.732026 6.383532 2.021006 17 H 2.127437 3.541408 3.998421 3.841079 4.843873 18 C 1.496330 5.763033 6.604751 5.885030 2.387209 19 H 4.148595 3.043083 1.758863 1.767054 6.585638 20 H 4.282353 2.200202 3.382184 4.017095 7.036088 21 O 3.985437 7.994589 9.036454 7.778260 1.181194 22 H 2.147316 6.138472 7.225503 6.630416 2.778592 23 O 2.395419 6.741359 7.529483 6.555620 1.327477 24 H 2.154418 6.037835 6.508619 5.962079 3.225504 16 17 18 19 20 16 H 0.000000 17 H 5.338705 0.000000 18 C 3.688791 2.868950 0.000000 19 H 6.708912 2.784367 5.183287 0.000000 20 H 6.892037 2.817711 5.302181 3.533960 0.000000 21 O 2.436568 6.009860 3.459934 7.659965 8.208982 22 H 3.969489 3.353010 1.084673 5.932897 5.422443 23 O 3.174167 4.101793 1.420373 6.032418 6.581065 24 H 4.679039 2.725251 1.078707 4.970897 5.385312 21 22 23 24 21 O 0.000000 22 H 3.743085 0.000000 23 O 2.198289 2.033343 0.000000 24 H 4.198439 1.755644 2.002867 0.000000 Stoichiometry C8H9N3O4 Framework group C1[X(C8H9N3O4)] Deg. of freedom 66 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 3.027923 -0.243276 -0.031544 2 6 0 3.444107 -0.421337 1.414181 3 8 0 3.318442 -1.415364 -0.719653 4 7 0 -2.335900 0.924719 -0.223825 5 6 0 -0.990643 0.665073 -0.212070 6 7 0 -0.168360 1.648649 -0.215935 7 6 0 1.178044 1.397483 -0.174723 8 8 0 2.009474 2.257957 -0.149266 9 7 0 1.582432 0.050536 -0.143644 10 6 0 0.684674 -0.961935 -0.142255 11 6 0 -0.632036 -0.716986 -0.195051 12 1 0 3.527931 0.604780 -0.465788 13 1 0 4.510836 -0.601943 1.464695 14 1 0 3.209284 0.471729 1.979285 15 6 0 -3.307516 0.032695 0.197040 16 1 0 -2.613575 1.883777 -0.222966 17 1 0 1.099776 -1.950743 -0.126775 18 6 0 -1.751583 -1.701490 -0.322997 19 1 0 2.931252 -1.268994 1.856558 20 1 0 3.360908 -1.241319 -1.651077 21 8 0 -4.412858 0.376805 0.431618 22 1 0 -2.016900 -1.872040 -1.360800 23 8 0 -2.909255 -1.224635 0.347723 24 1 0 -1.520966 -2.652051 0.131820 --------------------------------------------------------------------- Rotational constants (GHZ): 1.4344635 0.3627774 0.3097284 SCF density gives NOpUse= 1 NOpAll= 1. ********************************************************************** Population analysis using the SCF Density. ********************************************************************** Orbital symmetries: BldTbl: Degeneracy threshold= 1.00D-02 Occupied (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) Virtual (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) The electronic state is 1-A. Alpha occ. eigenvalues -- -20.63144 -20.60468 -20.55418 -20.53017 -15.64143 Alpha occ. eigenvalues -- -15.63258 -15.56729 -11.43054 -11.38915 -11.37007 Alpha occ. eigenvalues -- -11.34902 -11.33899 -11.33391 -11.26634 -11.23592 Alpha occ. eigenvalues -- -1.50447 -1.43642 -1.41274 -1.39664 -1.33406 Alpha occ. eigenvalues -- -1.29464 -1.21984 -1.12499 -1.04726 -0.99485 Alpha occ. eigenvalues -- -0.94221 -0.92354 -0.87520 -0.82248 -0.78877 Alpha occ. eigenvalues -- -0.77914 -0.75287 -0.72995 -0.71925 -0.70389 Alpha occ. eigenvalues -- -0.67949 -0.66689 -0.64567 -0.63038 -0.62705 Alpha occ. eigenvalues -- -0.61222 -0.60629 -0.57479 -0.56975 -0.56386 Alpha occ. eigenvalues -- -0.54114 -0.52516 -0.51456 -0.49333 -0.48150 Alpha occ. eigenvalues -- -0.47620 -0.45915 -0.43445 -0.40776 -0.35123 Alpha virt. eigenvalues -- 0.08582 0.15231 0.19647 0.21354 0.23737 Alpha virt. eigenvalues -- 0.24217 0.25548 0.25960 0.27996 0.28919 Alpha virt. eigenvalues -- 0.29721 0.31503 0.32436 0.34353 0.36684 Alpha virt. eigenvalues -- 0.38324 0.38827 0.40384 0.41990 0.43899 Alpha virt. eigenvalues -- 0.45979 0.47996 0.50932 0.52039 0.54298 Alpha virt. eigenvalues -- 0.55145 0.55614 0.63747 0.66227 0.66749 Alpha virt. eigenvalues -- 0.69026 0.70691 0.71921 0.72538 0.74301 Alpha virt. eigenvalues -- 0.75330 0.76066 0.77593 0.80555 0.81120 Alpha virt. eigenvalues -- 0.83620 0.84848 0.85711 0.87389 0.89463 Alpha virt. eigenvalues -- 0.90773 0.91947 0.94526 0.96440 0.97124 Alpha virt. eigenvalues -- 0.98866 1.01263 1.02471 1.03150 1.05606 Alpha virt. eigenvalues -- 1.05892 1.06554 1.09048 1.09767 1.10543 Alpha virt. eigenvalues -- 1.11885 1.13786 1.14150 1.14975 1.15882 Alpha virt. eigenvalues -- 1.16646 1.18542 1.20127 1.21625 1.23235 Alpha virt. eigenvalues -- 1.23631 1.24848 1.27442 1.29586 1.30454 Alpha virt. eigenvalues -- 1.31517 1.32270 1.33759 1.36072 1.38731 Alpha virt. eigenvalues -- 1.39314 1.41430 1.43921 1.44887 1.48898 Alpha virt. eigenvalues -- 1.50184 1.52337 1.53758 1.57391 1.60868 Alpha virt. eigenvalues -- 1.61555 1.64852 1.67545 1.68618 1.69419 Alpha virt. eigenvalues -- 1.71525 1.73596 1.77543 1.79870 1.83412 Alpha virt. eigenvalues -- 1.84986 1.88993 1.91501 1.93963 1.96578 Alpha virt. eigenvalues -- 1.99928 2.00647 2.01330 2.02697 2.05650 Alpha virt. eigenvalues -- 2.07004 2.08660 2.09977 2.11004 2.11513 Alpha virt. eigenvalues -- 2.13427 2.14049 2.16063 2.17062 2.18694 Alpha virt. eigenvalues -- 2.19489 2.22803 2.25263 2.26054 2.27664 Alpha virt. eigenvalues -- 2.31602 2.34558 2.34689 2.37249 2.41590 Alpha virt. eigenvalues -- 2.41935 2.45685 2.49144 2.50107 2.50495 Alpha virt. eigenvalues -- 2.51797 2.54848 2.55585 2.58442 2.58528 Alpha virt. eigenvalues -- 2.60556 2.63093 2.69925 2.71085 2.71920 Alpha virt. eigenvalues -- 2.76749 2.78300 2.80080 2.82673 2.84301 Alpha virt. eigenvalues -- 2.87958 2.90865 2.93499 2.96906 3.00383 Alpha virt. eigenvalues -- 3.01236 3.03661 3.05095 3.05836 3.08267 Alpha virt. eigenvalues -- 3.11062 3.16901 3.19003 3.22533 3.27495 Alpha virt. eigenvalues -- 3.29402 3.34703 3.38970 3.42895 3.54096 Alpha virt. eigenvalues -- 3.61184 3.75589 3.88321 4.20459 4.38848 Alpha virt. eigenvalues -- 4.45280 4.47073 4.48558 4.59087 4.60672 Alpha virt. eigenvalues -- 4.64993 4.74241 4.76280 4.80993 4.93334 Alpha virt. eigenvalues -- 4.97829 5.07259 5.11098 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 C 4.629830 0.382435 0.222586 0.000006 0.000223 0.002431 2 C 0.382435 5.124158 -0.064737 -0.000000 0.000050 -0.000235 3 O 0.222586 -0.064737 8.402859 -0.000000 -0.000003 -0.000047 4 N 0.000006 -0.000000 -0.000000 7.410643 0.258378 -0.088293 5 C 0.000223 0.000050 -0.000003 0.258378 4.231195 0.555781 6 N 0.002431 -0.000235 -0.000047 -0.088293 0.555781 7.090524 7 C -0.018737 -0.000040 0.000721 0.001906 -0.042560 0.420119 8 O 0.001274 -0.001787 0.000187 -0.000024 -0.000424 -0.078438 9 N 0.163181 -0.076899 -0.066821 -0.000349 -0.008964 -0.123831 10 C -0.024615 -0.002603 0.002384 0.003404 -0.052266 -0.016270 11 C 0.000759 -0.000291 0.000811 -0.084048 0.414971 -0.069697 12 H 0.429152 -0.041168 -0.030755 0.000000 -0.000053 0.000335 13 H -0.034798 0.387937 0.001775 0.000000 -0.000000 0.000002 14 H -0.034124 0.385903 0.002907 0.000000 -0.000010 -0.000021 15 C -0.000000 0.000000 -0.000000 0.286403 -0.023365 0.000345 16 H -0.000000 0.000000 0.000000 0.304577 -0.015211 0.005875 17 H -0.003392 -0.000422 0.009182 -0.000081 0.002646 -0.000464 18 C -0.000028 -0.000001 -0.000007 0.003831 -0.034149 0.003519 19 H -0.029262 0.382080 -0.000787 -0.000000 -0.000006 -0.000006 20 H -0.021296 0.006192 0.260436 -0.000000 -0.000003 0.000002 21 O -0.000000 0.000000 -0.000000 -0.094121 0.001397 -0.000028 22 H 0.000002 0.000000 -0.000001 0.000832 -0.003762 -0.000071 23 O 0.000000 -0.000000 -0.000000 -0.108799 0.000692 0.000039 24 H -0.000004 -0.000000 0.000001 -0.000456 0.003180 -0.000034 7 8 9 10 11 12 1 C -0.018737 0.001274 0.163181 -0.024615 0.000759 0.429152 2 C -0.000040 -0.001787 -0.076899 -0.002603 -0.000291 -0.041168 3 O 0.000721 0.000187 -0.066821 0.002384 0.000811 -0.030755 4 N 0.001906 -0.000024 -0.000349 0.003404 -0.084048 0.000000 5 C -0.042560 -0.000424 -0.008964 -0.052266 0.414971 -0.000053 6 N 0.420119 -0.078438 -0.123831 -0.016270 -0.069697 0.000335 7 C 3.828157 0.630315 0.248609 -0.035753 -0.013013 -0.003897 8 O 0.630315 8.164327 -0.114552 0.001136 0.000660 0.010716 9 N 0.248609 -0.114552 7.595985 0.292910 -0.036074 -0.052901 10 C -0.035753 0.001136 0.292910 4.679771 0.611664 0.004525 11 C -0.013013 0.000660 -0.036074 0.611664 5.274221 0.000053 12 H -0.003897 0.010716 -0.052901 0.004525 0.000053 0.453351 13 H 0.000014 -0.000010 0.004621 -0.000093 0.000001 -0.001504 14 H 0.001076 0.002613 -0.001122 0.000227 0.000014 -0.001581 15 C -0.000030 0.000000 -0.000006 0.000331 -0.005821 -0.000000 16 H 0.000046 -0.000015 0.000029 -0.000077 0.004606 0.000000 17 H 0.000618 -0.000090 -0.034327 0.386146 -0.032463 0.000328 18 C 0.000326 0.000003 0.001786 -0.033682 0.286461 0.000001 19 H -0.000022 -0.000009 -0.004588 0.002505 0.000077 0.003595 20 H 0.000171 -0.000000 0.003307 -0.000238 -0.000176 -0.005991 21 O 0.000000 -0.000000 -0.000000 -0.000001 -0.000078 -0.000000 22 H 0.000012 -0.000000 0.000002 -0.000707 -0.056510 -0.000000 23 O 0.000008 -0.000000 -0.000023 0.002135 -0.032563 0.000000 24 H -0.000012 -0.000000 0.000059 -0.001964 -0.046944 0.000000 13 14 15 16 17 18 1 C -0.034798 -0.034124 -0.000000 -0.000000 -0.003392 -0.000028 2 C 0.387937 0.385903 0.000000 0.000000 -0.000422 -0.000001 3 O 0.001775 0.002907 -0.000000 0.000000 0.009182 -0.000007 4 N 0.000000 0.000000 0.286403 0.304577 -0.000081 0.003831 5 C -0.000000 -0.000010 -0.023365 -0.015211 0.002646 -0.034149 6 N 0.000002 -0.000021 0.000345 0.005875 -0.000464 0.003519 7 C 0.000014 0.001076 -0.000030 0.000046 0.000618 0.000326 8 O -0.000010 0.002613 0.000000 -0.000015 -0.000090 0.000003 9 N 0.004621 -0.001122 -0.000006 0.000029 -0.034327 0.001786 10 C -0.000093 0.000227 0.000331 -0.000077 0.386146 -0.033682 11 C 0.000001 0.000014 -0.005821 0.004606 -0.032463 0.286461 12 H -0.001504 -0.001581 -0.000000 0.000000 0.000328 0.000001 13 H 0.496725 -0.020499 0.000000 -0.000000 -0.000017 0.000000 14 H -0.020499 0.490347 0.000000 0.000000 -0.000010 -0.000000 15 C 0.000000 0.000000 3.766643 -0.009999 -0.000000 -0.023160 16 H -0.000000 0.000000 -0.009999 0.272161 0.000002 -0.000228 17 H -0.000017 -0.000010 -0.000000 0.000002 0.395285 -0.000147 18 C 0.000000 -0.000000 -0.023160 -0.000228 -0.000147 4.784983 19 H -0.023370 -0.024227 0.000000 0.000000 0.000695 -0.000002 20 H -0.000231 -0.000168 0.000000 0.000000 -0.000572 -0.000000 21 O -0.000000 -0.000000 0.678653 0.003727 -0.000000 0.000865 22 H -0.000000 0.000000 -0.000695 -0.000040 -0.000037 0.410619 23 O 0.000000 -0.000000 0.309514 0.002264 0.000003 0.166911 24 H 0.000000 -0.000000 0.001816 0.000018 0.001249 0.417521 19 20 21 22 23 24 1 C -0.029262 -0.021296 -0.000000 0.000002 0.000000 -0.000004 2 C 0.382080 0.006192 0.000000 0.000000 -0.000000 -0.000000 3 O -0.000787 0.260436 -0.000000 -0.000001 -0.000000 0.000001 4 N -0.000000 -0.000000 -0.094121 0.000832 -0.108799 -0.000456 5 C -0.000006 -0.000003 0.001397 -0.003762 0.000692 0.003180 6 N -0.000006 0.000002 -0.000028 -0.000071 0.000039 -0.000034 7 C -0.000022 0.000171 0.000000 0.000012 0.000008 -0.000012 8 O -0.000009 -0.000000 -0.000000 -0.000000 -0.000000 -0.000000 9 N -0.004588 0.003307 -0.000000 0.000002 -0.000023 0.000059 10 C 0.002505 -0.000238 -0.000001 -0.000707 0.002135 -0.001964 11 C 0.000077 -0.000176 -0.000078 -0.056510 -0.032563 -0.046944 12 H 0.003595 -0.005991 -0.000000 -0.000000 0.000000 0.000000 13 H -0.023370 -0.000231 -0.000000 -0.000000 0.000000 0.000000 14 H -0.024227 -0.000168 -0.000000 0.000000 -0.000000 -0.000000 15 C 0.000000 0.000000 0.678653 -0.000695 0.309514 0.001816 16 H 0.000000 0.000000 0.003727 -0.000040 0.002264 0.000018 17 H 0.000695 -0.000572 -0.000000 -0.000037 0.000003 0.001249 18 C -0.000002 -0.000000 0.000865 0.410619 0.166911 0.417521 19 H 0.526233 -0.000188 -0.000000 -0.000000 0.000000 0.000000 20 H -0.000188 0.303728 0.000000 0.000000 -0.000000 -0.000000 21 O -0.000000 0.000000 8.043078 0.000146 -0.078161 -0.000060 22 H -0.000000 0.000000 0.000146 0.525937 -0.043766 -0.032119 23 O 0.000000 -0.000000 -0.078161 -0.043766 8.428183 -0.029407 24 H 0.000000 -0.000000 -0.000060 -0.032119 -0.029407 0.473782 Mulliken charges: 1 1 C 0.334377 2 C -0.480568 3 O -0.740690 4 N -0.893808 5 C 0.712262 6 N -0.701537 7 C 0.981966 8 O -0.615880 9 N -0.790030 10 C 0.181132 11 C -0.216619 12 H 0.235796 13 H 0.189445 14 H 0.198673 15 C 1.019373 16 H 0.432265 17 H 0.275868 18 C 0.014579 19 H 0.167283 20 H 0.455028 21 O -0.555418 22 H 0.200159 23 O -0.617030 24 H 0.213374 Sum of Mulliken charges = -0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 C 0.570172 2 C 0.074834 3 O -0.285662 4 N -0.461543 5 C 0.712262 6 N -0.701537 7 C 0.981966 8 O -0.615880 9 N -0.790030 10 C 0.457000 11 C -0.216619 15 C 1.019373 18 C 0.428112 21 O -0.555418 23 O -0.617030 DipInt: DoE/N= T F RetVal/Mat= T F Init=T NMatP= 1 IDeriv=0 Min/MaxMlt= 0 4 Entering OneElI... OneElI was handed 2147329804 working-precision words. Multipole integrals L=0 to 4 MinM= 0 MaxM= 0. Requested accuracy = 0.1000D-12 ShPair: Thresh= 1.00D-13 NBox= 0 BxSize= 0.00D+00 RnKept= 1.71D+01 NSMCal= 3081 NSMKep= 2620 PrmmSu-InSpLW: IPartL= 0 NPrtUS= 1 NPrtUL= 1 DoSpLW=F IThBeg= 0 IThEnd= 0 NThAct= 1. PrSmSu: IncTry= 512 NBBP= 2620 NTPThr= 100 NPartT= 1 Incr= 26 LDynOK=F GPUOK=F. PrsmSu: NPrtUS= 1 ThrOK=F IAlg=2 LenDen= 0 ISkipM=0 DoSpLW=F IThBeg= 0 IThEnd= 0. Prism: IPart= 0 DynPar=F LinDyn=F Incr= 26. PRISM was handed 2147084652 working-precision words and 2620 shell-pairs IPart= 0 NShTot= 2620 NBatch= 53 AvBLen= 49.4 PrsmSu-ThDecC: IPartSL= 0 0 NPrtUSL= 1 1 IThBeg= 0 IThEnd= 0 CPU= -1 GPU= -1 NThAct= 1. PrSmSu: NxtVal= 27. Electronic moments (au): -110.00000000 1.38439449 -1.94441184 -0.78835957 -2602.80691099 -636.79080396 -187.07491638 -4.42516992 2.40322288 2.14282875 1673.82537851 -341.40469025 -180.42397238 -431.65929509 872.41416444 -1047.05765513 -530.49985023 139.51941032 203.55537124 -35.14024245 -112724.88765615 -8462.00691131 -1467.18004278 7140.54411320 1180.49826009 -2704.74472755 3.09089015 -1310.16830780 34.48823685 -10795.96792651 -6340.08994903 -879.60357197 -364.67960624 454.44316087 614.93411129 Electronic spatial extent (au): = 3426.6726 DipInt: DoE/N= F T RetVal/Mat= T F Init=T NMatP= 1 IDeriv=0 Min/MaxMlt= 0 4 Nuclear moments (au): 110.00000000 -0.00000000 -0.00000000 0.00000000 2524.29209525 566.99751072 127.32737836 -0.00000000 0.00000000 -0.00000000 -1473.31894189 288.48381091 166.18621337 378.40474709 -869.72679695 1002.60425844 552.30976260 -146.40591507 -205.11408557 36.12858885 102642.50125010 6254.14090950 885.30416831 -7101.30456842 -1054.99539003 2567.92542987 20.13806583 1179.82713744 10.56311907 8861.33087510 4953.16669938 446.80972387 404.48850700 -444.57713555 -647.72524944 Total moments (au): 0.00000000 1.38439449 -1.94441184 -0.78835957 -78.51481575 -69.79329324 -59.74753802 -4.42516992 2.40322288 2.14282875 200.50643662 -52.92087934 -14.23775901 -53.25454801 2.68736749 -44.45339669 21.80991238 -6.88650474 -1.55871432 0.98834640 -10082.38640605 -2207.86600181 -581.87587447 39.23954478 125.50287005 -136.81929768 23.22895598 -130.34117036 45.05135593 -1934.63705142 -1386.92324966 -432.79384810 39.80890076 9.86602531 -32.79113815 Traceless Quadrup. (au): -9.16293341 -0.44141091 9.60434431 -4.42516992 2.40322288 2.14282875 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= 3.5188 Y= -4.9422 Z= -2.0038 Tot= 6.3892 Quadrupole moment (field-independent basis, Debye-Ang): XX= -105.6051 YY= -93.8744 ZZ= -80.3625 XY= -5.9520 XZ= 3.2324 YZ= 2.8822 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= -12.3245 YY= -0.5937 ZZ= 12.9182 XY= -5.9520 XZ= 3.2324 YZ= 2.8822 Octapole moment (field-independent basis, Debye-Ang**2): XXX= 142.7128 YYY= -37.6670 ZZZ= -10.1339 XYY= -37.9045 XXY= 1.9128 XXZ= -31.6402 XZZ= 15.5235 YZZ= -4.9015 YYZ= -1.1094 XYZ= 0.7035 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -3797.5102 YYYY= -831.5882 ZZZZ= -219.1624 XXXY= 14.7795 XXXZ= 47.2704 YYYX= -51.5327 YYYZ= 8.7491 ZZZX= -49.0927 ZZZY= 16.9685 XXYY= -728.6771 XXZZ= -522.3818 YYZZ= -163.0109 XXYZ= 14.9939 YYXZ= 3.7160 ZZXY= -12.3507 N-N= 1.026513027335D+03 E-N=-3.861763909912D+03 KE= 7.697621761061D+02 Entering OneElI... OneElI was handed 2147358583 working-precision words. Calculate electrostatic properties NBasis = 243 MinDer = 0 MaxDer = 0 NGrid = 24 NMatD = 1 Requested accuracy = 0.1000D-12 PrtBox: NBox= 1 Levels= 1 BoxLen= 29.89 SMaxX= 16.86 Shift= 8.339093 5.011650 3.120083 Box 1 Number 0 centers from 1 to 78: ShPair: Thresh= 1.00D-13 NBox= 1 BxSize= 2.99D+01 RnKept= 1.55D+01 NSMCal= 3081 NSMKep= 2422 PrmmSu-InSpLW: IPartL= 0 NPrtUS= 12 NPrtUL= 1 DoSpLW=F IThBeg= 0 IThEnd= 11 NThAct= 12. PrSmSu: IncTry= 512 NBBP= 58128 NTPThr= 100 NPartT= 12 Incr= 48 LDynOK=F GPUOK=F. PrsmSu: NPrtUS= 12 ThrOK=T IAlg=2 LenDen= 0 ISkipM=0 DoSpLW=F IThBeg= 0 IThEnd= 11. Prism: IPart= 0 DynPar=F LinDyn=F Incr= 48. PRISM was handed 178855158 working-precision words and 2422 shell-pairs PRISM was handed 178855158 working-precision words and 2422 shell-pairs PRISM was handed 178855158 working-precision words and 2422 shell-pairs PRISM was handed 178855158 working-precision words and 2422 shell-pairs PRISM was handed 178855158 working-precision words and 2422 shell-pairs PRISM was handed 178855158 working-precision words and 2422 shell-pairs PRISM was handed 178855158 working-precision words and 2422 shell-pairs PRISM was handed 178855158 working-precision words and 2422 shell-pairs PRISM was handed 178855158 working-precision words and 2422 shell-pairs PRISM was handed 178855158 working-precision words and 2422 shell-pairs PRISM was handed 178855158 working-precision words and 2422 shell-pairs PRISM was handed 178855158 working-precision words and 2422 shell-pairs IPart= 0 NShTot= 5352 NBatch= 223 AvBLen= 24.0 PrsmSu-ThDecC: IPartSL= 0 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 12. IPart= 6 NShTot= 4824 NBatch= 201 AvBLen= 24.0 PrsmSu-ThDecC: IPartSL= 6 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 11. IPart= 7 NShTot= 4704 NBatch= 196 AvBLen= 24.0 PrsmSu-ThDecC: IPartSL= 7 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 10. IPart= 5 NShTot= 4896 NBatch= 204 AvBLen= 24.0 PrsmSu-ThDecC: IPartSL= 5 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 9. IPart= 11 NShTot= 4392 NBatch= 183 AvBLen= 24.0 PrsmSu-ThDecC: IPartSL= 11 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 8. IPart= 9 NShTot= 4584 NBatch= 191 AvBLen= 24.0 PrsmSu-ThDecC: IPartSL= 9 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 7. IPart= 8 NShTot= 4608 NBatch= 192 AvBLen= 24.0 PrsmSu-ThDecC: IPartSL= 8 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 6. IPart= 2 NShTot= 5064 NBatch= 211 AvBLen= 24.0 PrsmSu-ThDecC: IPartSL= 2 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 5. IPart= 10 NShTot= 4536 NBatch= 189 AvBLen= 24.0 PrsmSu-ThDecC: IPartSL= 10 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 4. IPart= 4 NShTot= 4944 NBatch= 206 AvBLen= 24.0 PrsmSu-ThDecC: IPartSL= 4 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 3. IPart= 1 NShTot= 5208 NBatch= 217 AvBLen= 24.0 PrsmSu-ThDecC: IPartSL= 1 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 2. IPart= 3 NShTot= 5016 NBatch= 209 AvBLen= 24.0 PrsmSu-ThDecC: IPartSL= 3 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 1. PrSmSu: NxtVal= 577. -------------------------------------------------------- Center ---- EFG at Nuclei ---- 3XX-RR 3YY-RR 3ZZ-RR -------------------------------------------------------- 1 Atom -0.214224 0.000239 0.213985 2 Atom 0.026764 0.031990 -0.058754 3 Atom 1.629518 -0.270157 -1.359361 4 Atom -0.481370 -0.361644 0.843013 5 Atom 0.126187 0.386056 -0.512243 6 Atom -0.468821 0.704266 -0.235445 7 Atom 0.305767 0.124860 -0.430627 8 Atom 0.385102 0.268362 -0.653464 9 Atom -0.370638 -0.385634 0.756272 10 Atom 0.281495 0.177995 -0.459490 11 Atom 0.047187 -0.034719 -0.012469 12 Atom 0.041449 -0.115612 0.074163 13 Atom -0.301064 0.150795 0.150269 14 Atom 0.137045 -0.159744 0.022699 15 Atom 0.324017 0.030106 -0.354123 16 Atom 0.130488 -0.373476 0.242988 17 Atom 0.088006 -0.253716 0.165709 18 Atom -0.238943 0.119460 0.119483 19 Atom 0.050188 -0.126119 0.075932 20 Atom 0.284473 0.205436 -0.489908 21 Atom -0.693039 1.303124 -0.610084 22 Atom 0.117654 0.145145 -0.262799 23 Atom -0.059488 -0.767986 0.827475 24 Atom 0.124101 -0.204486 0.080386 -------------------------------------------------------- XY XZ YZ -------------------------------------------------------- 1 Atom 0.198251 0.005791 -0.268729 2 Atom -0.006092 -0.025699 0.032357 3 Atom 0.479172 0.403066 -0.655956 4 Atom -0.013715 0.175838 0.218188 5 Atom 0.064787 -0.013996 -0.001043 6 Atom -0.394224 -0.017164 -0.014915 7 Atom 0.150083 0.026674 0.002691 8 Atom -1.255655 0.066668 -0.077429 9 Atom -0.064957 -0.072232 0.052695 10 Atom -0.154832 0.029709 -0.010490 11 Atom -0.008305 -0.002782 -0.009865 12 Atom -0.167616 0.090734 0.142606 13 Atom 0.077492 -0.021568 0.006851 14 Atom 0.086921 0.049911 -0.202320 15 Atom -0.071292 -0.179024 -0.042488 16 Atom 0.161253 0.010703 0.004269 17 Atom 0.159103 -0.007397 0.007513 18 Atom 0.152825 0.259339 -0.138061 19 Atom -0.178656 0.084622 0.150036 20 Atom 0.004531 0.037716 0.134731 21 Atom 0.599231 -0.112165 -0.443709 22 Atom -0.011423 -0.100982 -0.070365 23 Atom 1.247102 0.784546 -0.072897 24 Atom 0.095000 -0.035440 0.173795 -------------------------------------------------------- --------------------------------------------------------------------------------- Nuclear Quadrupole Coupling Constant in Principal Axis System --------------------------------------------------------------------------------- Atom a.u. MegaHertz Gauss 10(-4) cm-1 Axes Baa -0.5185 2.490 0.889 0.831 0.9316 0.3203 -0.1716 4 N(14) Bbb -0.3839 1.844 0.658 0.615 -0.3420 0.9324 -0.1168 Bcc 0.9024 -4.334 -1.546 -1.446 0.1226 0.1675 0.9782 Baa -0.5902 2.835 1.011 0.946 0.9548 0.2915 0.0584 6 N(14) Bbb -0.2343 1.125 0.402 0.375 -0.0585 -0.0087 0.9983 Bcc 0.8245 -3.960 -1.413 -1.321 -0.2914 0.9565 -0.0087 Baa -0.4436 2.130 0.760 0.711 0.6692 0.7431 0.0077 9 N(14) Bbb -0.3201 1.537 0.549 0.513 0.7401 -0.6674 0.0823 Bcc 0.7637 -3.668 -1.309 -1.223 -0.0663 0.0494 0.9966 --------------------------------------------------------------------------------- No NMR shielding tensors so no spin-rotation constants. Leave Link 601 at Tue May 7 07:26:51 2024, MaxMem= 2147483648 cpu: 1.2 elap: 0.1 FitSet: NAtFit= 24 NAtPot= 24 NAtFrz= 0 MDM= 28 TotChg= 0.00000 Merz-Kollman atomic radii used. Atom Element Radius 1 6 1.50 2 6 1.50 3 8 1.40 4 7 1.50 5 6 1.50 6 7 1.50 7 6 1.50 8 8 1.40 9 7 1.50 10 6 1.50 11 6 1.50 12 1 1.20 13 1 1.20 14 1 1.20 15 6 1.50 16 1 1.20 17 1 1.20 18 6 1.50 19 1 1.20 20 1 1.20 21 8 1.40 22 1 1.20 23 8 1.40 24 1 1.20 Generate VDW surfaces: Layer= 4 Dens= 6 Start= 1.400 Inc= 0.200 ********************************************************************** Electrostatic Properties Using The SCF Density. ********************************************************************** Atomic Center 1 is at 3.027923 -0.243276 -0.031544 Atomic Center 2 is at 3.444107 -0.421337 1.414181 Atomic Center 3 is at 3.318442 -1.415364 -0.719653 Atomic Center 4 is at -2.335900 0.924719 -0.223825 Atomic Center 5 is at -0.990643 0.665073 -0.212070 Atomic Center 6 is at -0.168360 1.648649 -0.215935 Atomic Center 7 is at 1.178044 1.397483 -0.174723 Atomic Center 8 is at 2.009474 2.257957 -0.149266 Atomic Center 9 is at 1.582432 0.050536 -0.143644 Atomic Center 10 is at 0.684674 -0.961935 -0.142255 Atomic Center 11 is at -0.632036 -0.716986 -0.195051 Atomic Center 12 is at 3.527931 0.604780 -0.465788 Atomic Center 13 is at 4.510836 -0.601943 1.464695 Atomic Center 14 is at 3.209284 0.471729 1.979285 Atomic Center 15 is at -3.307516 0.032695 0.197040 Atomic Center 16 is at -2.613575 1.883777 -0.222966 Atomic Center 17 is at 1.099776 -1.950743 -0.126775 Atomic Center 18 is at -1.751583 -1.701490 -0.322997 Atomic Center 19 is at 2.931252 -1.268994 1.856558 Atomic Center 20 is at 3.360908 -1.241319 -1.651077 Atomic Center 21 is at -4.412858 0.376805 0.431618 Atomic Center 22 is at -2.016900 -1.872040 -1.360800 Atomic Center 23 is at -2.909255 -1.224635 0.347723 Atomic Center 24 is at -1.520966 -2.652051 0.131820 ESP Fit Center 25 is at 5.087572 -0.243276 -0.441233 ESP Fit Center 26 is at 4.968070 -0.243276 -0.835179 ESP Fit Center 27 is at 2.626106 0.452692 -1.971691 ESP Fit Center 28 is at 3.444107 -0.421337 3.514181 ESP Fit Center 29 is at 3.853797 -0.421337 3.473830 ESP Fit Center 30 is at 3.034417 -0.421337 3.473830 ESP Fit Center 31 is at 3.239262 -0.776138 3.473830 ESP Fit Center 32 is at 3.648952 -0.776138 3.473830 ESP Fit Center 33 is at 4.247742 -0.421337 3.354328 ESP Fit Center 34 is at 4.140076 -0.019519 3.354328 ESP Fit Center 35 is at 2.640472 -0.421337 3.354328 ESP Fit Center 36 is at 3.845925 -1.117305 3.354328 ESP Fit Center 37 is at 4.140076 -0.823154 3.354328 ESP Fit Center 38 is at 4.610805 -0.421337 3.160267 ESP Fit Center 39 is at 4.532020 0.000123 3.160267 ESP Fit Center 40 is at 4.306307 -1.207336 3.160267 ESP Fit Center 41 is at 4.532020 -0.842796 3.160267 ESP Fit Center 42 is at 4.693305 0.381474 2.899106 ESP Fit Center 43 is at 4.416526 -1.543567 2.899106 ESP Fit Center 44 is at 4.435997 -1.858337 2.580879 ESP Fit Center 45 is at 1.515333 -0.211570 2.217816 ESP Fit Center 46 is at 4.352888 -2.135480 2.217816 ESP Fit Center 47 is at 4.863137 1.071482 1.823871 ESP Fit Center 48 is at 4.929031 1.063588 1.414181 ESP Fit Center 49 is at 4.610805 1.324750 1.414181 ESP Fit Center 50 is at 4.247742 -2.361484 1.414181 ESP Fit Center 51 is at 4.863137 1.071482 1.004492 ESP Fit Center 52 is at 4.533587 1.326573 1.004492 ESP Fit Center 53 is at 4.159434 1.510104 1.004492 ESP Fit Center 54 is at 4.159434 -2.352777 1.004492 ESP Fit Center 55 is at 3.424741 -2.562508 0.866021 ESP Fit Center 56 is at 3.831959 -2.446645 0.866021 ESP Fit Center 57 is at 2.713364 -2.740301 0.591843 ESP Fit Center 58 is at 3.111152 -2.857102 0.591843 ESP Fit Center 59 is at 3.525733 -2.857102 0.591843 ESP Fit Center 60 is at 3.923521 -2.740301 0.591843 ESP Fit Center 61 is at 4.272289 -2.516161 0.591843 ESP Fit Center 62 is at 4.543782 -2.202842 0.591843 ESP Fit Center 63 is at 2.595720 -2.951226 0.260347 ESP Fit Center 64 is at 3.000379 -3.082708 0.260347 ESP Fit Center 65 is at 3.425024 -3.109424 0.260347 ESP Fit Center 66 is at 3.842971 -3.029696 0.260347 ESP Fit Center 67 is at 4.227960 -2.848534 0.260347 ESP Fit Center 68 is at 4.555801 -2.577321 0.260347 ESP Fit Center 69 is at 4.805894 -2.233097 0.260347 ESP Fit Center 70 is at 4.962525 -1.837492 0.260347 ESP Fit Center 71 is at 5.182513 -1.415364 -0.113979 ESP Fit Center 72 is at 5.135777 -1.000569 -0.113979 ESP Fit Center 73 is at 2.509652 -3.094834 -0.113979 ESP Fit Center 74 is at 2.903648 -3.232698 -0.113979 ESP Fit Center 75 is at 3.318442 -3.279435 -0.113979 ESP Fit Center 76 is at 3.733237 -3.232698 -0.113979 ESP Fit Center 77 is at 4.127232 -3.094834 -0.113979 ESP Fit Center 78 is at 4.480671 -2.872753 -0.113979 ESP Fit Center 79 is at 4.775832 -2.577593 -0.113979 ESP Fit Center 80 is at 4.997912 -2.224154 -0.113979 ESP Fit Center 81 is at 5.135777 -1.830159 -0.113979 ESP Fit Center 82 is at 5.267705 -1.415364 -0.514777 ESP Fit Center 83 is at 5.222133 -0.996330 -0.514777 ESP Fit Center 84 is at 5.087545 -0.596890 -0.514777 ESP Fit Center 85 is at 2.596946 -3.226184 -0.514777 ESP Fit Center 86 is at 3.003087 -3.338948 -0.514777 ESP Fit Center 87 is at 3.423973 -3.361768 -0.514777 ESP Fit Center 88 is at 3.839925 -3.293576 -0.514777 ESP Fit Center 89 is at 4.231494 -3.137561 -0.514777 ESP Fit Center 90 is at 4.580368 -2.901018 -0.514777 ESP Fit Center 91 is at 4.870237 -2.595007 -0.514777 ESP Fit Center 92 is at 5.087545 -2.233838 -0.514777 ESP Fit Center 93 is at 5.222133 -1.834398 -0.514777 ESP Fit Center 94 is at 5.267705 -1.415364 -0.924529 ESP Fit Center 95 is at 5.222133 -0.996330 -0.924529 ESP Fit Center 96 is at 5.087545 -0.596890 -0.924529 ESP Fit Center 97 is at 2.224541 -3.028747 -0.924529 ESP Fit Center 98 is at 2.596946 -3.226184 -0.924529 ESP Fit Center 99 is at 3.003087 -3.338948 -0.924529 ESP Fit Center 100 is at 3.423973 -3.361768 -0.924529 ESP Fit Center 101 is at 3.839925 -3.293576 -0.924529 ESP Fit Center 102 is at 4.231494 -3.137561 -0.924529 ESP Fit Center 103 is at 4.580368 -2.901018 -0.924529 ESP Fit Center 104 is at 4.870237 -2.595007 -0.924529 ESP Fit Center 105 is at 5.087545 -2.233838 -0.924529 ESP Fit Center 106 is at 5.222133 -1.834398 -0.924529 ESP Fit Center 107 is at 5.182513 -1.415364 -1.325326 ESP Fit Center 108 is at 5.135777 -1.000569 -1.325326 ESP Fit Center 109 is at 4.997912 -0.606574 -1.325326 ESP Fit Center 110 is at 4.775832 -0.253135 -1.325326 ESP Fit Center 111 is at 2.156213 -2.872753 -1.325326 ESP Fit Center 112 is at 2.509652 -3.094834 -1.325326 ESP Fit Center 113 is at 2.903648 -3.232698 -1.325326 ESP Fit Center 114 is at 3.318442 -3.279435 -1.325326 ESP Fit Center 115 is at 3.733237 -3.232698 -1.325326 ESP Fit Center 116 is at 4.127232 -3.094834 -1.325326 ESP Fit Center 117 is at 4.480671 -2.872753 -1.325326 ESP Fit Center 118 is at 4.775832 -2.577593 -1.325326 ESP Fit Center 119 is at 4.997912 -2.224154 -1.325326 ESP Fit Center 120 is at 5.135777 -1.830159 -1.325326 ESP Fit Center 121 is at 1.740231 -2.040222 -1.699653 ESP Fit Center 122 is at 1.945209 -2.413076 -1.699653 ESP Fit Center 123 is at 2.236473 -2.723241 -1.699653 ESP Fit Center 124 is at 2.595720 -2.951226 -1.699653 ESP Fit Center 125 is at 3.000379 -3.082708 -1.699653 ESP Fit Center 126 is at 3.425024 -3.109424 -1.699653 ESP Fit Center 127 is at 3.842971 -3.029696 -1.699653 ESP Fit Center 128 is at 4.227960 -2.848534 -1.699653 ESP Fit Center 129 is at 4.555801 -2.577321 -1.699653 ESP Fit Center 130 is at 4.805894 -2.233097 -1.699653 ESP Fit Center 131 is at 4.962525 -1.837492 -1.699653 ESP Fit Center 132 is at -2.335900 0.924719 1.876175 ESP Fit Center 133 is at -1.926210 0.924719 1.835825 ESP Fit Center 134 is at -2.131055 1.279521 1.835825 ESP Fit Center 135 is at -2.540745 1.279521 1.835825 ESP Fit Center 136 is at -1.639931 1.326537 1.716323 ESP Fit Center 137 is at -1.934082 1.620688 1.716323 ESP Fit Center 138 is at -2.335900 1.728355 1.716323 ESP Fit Center 139 is at -2.737717 1.620688 1.716323 ESP Fit Center 140 is at -1.815858 1.969104 1.522262 ESP Fit Center 141 is at -2.228250 2.086440 1.522262 ESP Fit Center 142 is at -2.655182 2.046879 1.522262 ESP Fit Center 143 is at -3.038992 1.855764 1.522262 ESP Fit Center 144 is at -1.719040 2.275454 1.261100 ESP Fit Center 145 is at -3.881982 1.736166 -1.390522 ESP Fit Center 146 is at -4.031248 1.342585 -1.390522 ESP Fit Center 147 is at -1.719040 2.275454 -1.708749 ESP Fit Center 148 is at -3.585097 1.727530 -1.708749 ESP Fit Center 149 is at -3.760674 1.343071 -1.708749 ESP Fit Center 150 is at -3.820824 0.924719 -1.708749 ESP Fit Center 151 is at -1.473700 1.710718 -1.969911 ESP Fit Center 152 is at -1.815858 1.969104 -1.969911 ESP Fit Center 153 is at -2.228250 2.086440 -1.969911 ESP Fit Center 154 is at -2.655182 2.046879 -1.969911 ESP Fit Center 155 is at -3.038992 1.855764 -1.969911 ESP Fit Center 156 is at -3.327846 1.538906 -1.969911 ESP Fit Center 157 is at -3.482732 1.139099 -1.969911 ESP Fit Center 158 is at -3.482732 0.710339 -1.969911 ESP Fit Center 159 is at -3.327846 0.310532 -1.969911 ESP Fit Center 160 is at -3.038992 -0.006325 -1.969911 ESP Fit Center 161 is at -2.655182 -0.197440 -1.969911 ESP Fit Center 162 is at -2.228250 -0.237001 -1.969911 ESP Fit Center 163 is at -1.639931 1.326537 -2.163972 ESP Fit Center 164 is at -1.934082 1.620688 -2.163972 ESP Fit Center 165 is at -2.335900 1.728355 -2.163972 ESP Fit Center 166 is at -2.737717 1.620688 -2.163972 ESP Fit Center 167 is at -3.031868 1.326537 -2.163972 ESP Fit Center 168 is at -3.139535 0.924719 -2.163972 ESP Fit Center 169 is at -3.031868 0.522902 -2.163972 ESP Fit Center 170 is at -2.737717 0.228751 -2.163972 ESP Fit Center 171 is at -2.335900 0.121084 -2.163972 ESP Fit Center 172 is at -1.934082 0.228751 -2.163972 ESP Fit Center 173 is at -1.926210 0.924719 -2.283474 ESP Fit Center 174 is at -2.131055 1.279521 -2.283474 ESP Fit Center 175 is at -2.540745 1.279521 -2.283474 ESP Fit Center 176 is at -2.745589 0.924719 -2.283474 ESP Fit Center 177 is at -2.540745 0.569918 -2.283474 ESP Fit Center 178 is at -2.131055 0.569918 -2.283474 ESP Fit Center 179 is at -2.335900 0.924719 -2.323825 ESP Fit Center 180 is at -0.990643 0.665073 1.887930 ESP Fit Center 181 is at -0.580953 0.665073 1.847579 ESP Fit Center 182 is at -0.785798 1.019875 1.847579 ESP Fit Center 183 is at -1.195488 1.019875 1.847579 ESP Fit Center 184 is at -1.400333 0.665073 1.847579 ESP Fit Center 185 is at -1.195488 0.310272 1.847579 ESP Fit Center 186 is at -0.785798 0.310272 1.847579 ESP Fit Center 187 is at -0.187008 0.665073 1.728077 ESP Fit Center 188 is at -0.990643 1.468708 1.728077 ESP Fit Center 189 is at -1.392461 1.361042 1.728077 ESP Fit Center 190 is at -1.686611 0.263256 1.728077 ESP Fit Center 191 is at -1.392461 -0.030895 1.728077 ESP Fit Center 192 is at -0.294674 0.263256 1.728077 ESP Fit Center 193 is at 0.097270 0.243613 1.534016 ESP Fit Center 194 is at -1.693735 -0.265971 -1.958156 ESP Fit Center 195 is at 0.097270 0.243613 -1.958156 ESP Fit Center 196 is at -0.187008 0.665073 -2.152217 ESP Fit Center 197 is at -0.990643 1.468708 -2.152217 ESP Fit Center 198 is at -1.392461 1.361042 -2.152217 ESP Fit Center 199 is at -1.686611 0.263256 -2.152217 ESP Fit Center 200 is at -1.392461 -0.030895 -2.152217 ESP Fit Center 201 is at -0.294674 0.263256 -2.152217 ESP Fit Center 202 is at -0.580953 0.665073 -2.271719 ESP Fit Center 203 is at -0.785798 1.019875 -2.271719 ESP Fit Center 204 is at -1.195488 1.019875 -2.271719 ESP Fit Center 205 is at -1.400333 0.665073 -2.271719 ESP Fit Center 206 is at -1.195488 0.310272 -2.271719 ESP Fit Center 207 is at -0.785798 0.310272 -2.271719 ESP Fit Center 208 is at -0.990643 0.665073 -2.312070 ESP Fit Center 209 is at -0.168360 1.648649 1.884065 ESP Fit Center 210 is at 0.241329 1.648649 1.843714 ESP Fit Center 211 is at 0.036484 2.003450 1.843714 ESP Fit Center 212 is at -0.373205 2.003450 1.843714 ESP Fit Center 213 is at -0.578050 1.648649 1.843714 ESP Fit Center 214 is at -0.373205 1.293847 1.843714 ESP Fit Center 215 is at 0.036484 1.293847 1.843714 ESP Fit Center 216 is at 0.527608 2.050466 1.724212 ESP Fit Center 217 is at 0.233457 2.344617 1.724212 ESP Fit Center 218 is at -0.168360 2.452284 1.724212 ESP Fit Center 219 is at -0.570178 2.344617 1.724212 ESP Fit Center 220 is at -0.864329 2.050466 1.724212 ESP Fit Center 221 is at -0.971996 1.648649 1.724212 ESP Fit Center 222 is at -0.168360 0.845014 1.724212 ESP Fit Center 223 is at 0.233457 0.952680 1.724212 ESP Fit Center 224 is at 0.351681 2.693034 1.530151 ESP Fit Center 225 is at -0.060711 2.810369 1.530151 ESP Fit Center 226 is at -0.487642 2.770808 1.530151 ESP Fit Center 227 is at -0.871453 2.579693 1.530151 ESP Fit Center 228 is at -1.160307 2.262836 1.530151 ESP Fit Center 229 is at -1.315193 1.863029 1.530151 ESP Fit Center 230 is at 0.448499 2.999383 1.268989 ESP Fit Center 231 is at 0.042966 3.118459 1.268989 ESP Fit Center 232 is at -0.379687 3.118459 1.268989 ESP Fit Center 233 is at -0.785220 2.999383 1.268989 ESP Fit Center 234 is at -1.140779 2.770880 1.268989 ESP Fit Center 235 is at -1.417558 2.451459 1.268989 ESP Fit Center 236 is at 0.450810 3.281268 0.950762 ESP Fit Center 237 is at 0.042107 3.382004 0.950762 ESP Fit Center 238 is at -0.378828 3.382004 0.950762 ESP Fit Center 239 is at -0.787531 3.281268 0.950762 ESP Fit Center 240 is at -1.160250 3.085650 0.950762 ESP Fit Center 241 is at -1.475325 2.806518 0.950762 ESP Fit Center 242 is at 0.350684 3.518077 0.587700 ESP Fit Center 243 is at -0.063323 3.585950 0.587700 ESP Fit Center 244 is at -0.482241 3.563237 0.587700 ESP Fit Center 245 is at -0.886483 3.451000 0.587700 ESP Fit Center 246 is at -1.257146 3.254487 0.587700 ESP Fit Center 247 is at -1.576898 2.982887 0.587700 ESP Fit Center 248 is at 0.546967 3.580089 0.193755 ESP Fit Center 249 is at 0.143528 3.684547 0.193755 ESP Fit Center 250 is at -0.272680 3.705654 0.193755 ESP Fit Center 251 is at -0.684617 3.642548 0.193755 ESP Fit Center 252 is at -1.075418 3.497811 0.193755 ESP Fit Center 253 is at -1.429084 3.277369 0.193755 ESP Fit Center 254 is at 0.241329 3.708298 -0.215935 ESP Fit Center 255 is at -0.168360 3.748649 -0.215935 ESP Fit Center 256 is at -0.578050 3.708298 -0.215935 ESP Fit Center 257 is at -0.971996 3.588796 -0.215935 ESP Fit Center 258 is at -1.335058 3.394735 -0.215935 ESP Fit Center 259 is at 0.546967 3.580089 -0.625625 ESP Fit Center 260 is at 0.143528 3.684547 -0.625625 ESP Fit Center 261 is at -0.272680 3.705654 -0.625625 ESP Fit Center 262 is at -0.684617 3.642548 -0.625625 ESP Fit Center 263 is at -1.075418 3.497811 -0.625625 ESP Fit Center 264 is at -1.429084 3.277369 -0.625625 ESP Fit Center 265 is at 0.350684 3.518077 -1.019570 ESP Fit Center 266 is at -0.063323 3.585950 -1.019570 ESP Fit Center 267 is at -0.482241 3.563237 -1.019570 ESP Fit Center 268 is at -0.886483 3.451000 -1.019570 ESP Fit Center 269 is at -1.257146 3.254487 -1.019570 ESP Fit Center 270 is at -1.576898 2.982887 -1.019570 ESP Fit Center 271 is at 0.450810 3.281268 -1.382633 ESP Fit Center 272 is at 0.042107 3.382004 -1.382633 ESP Fit Center 273 is at -0.378828 3.382004 -1.382633 ESP Fit Center 274 is at -0.787531 3.281268 -1.382633 ESP Fit Center 275 is at -1.160250 3.085650 -1.382633 ESP Fit Center 276 is at -1.475325 2.806518 -1.382633 ESP Fit Center 277 is at 0.448499 2.999383 -1.700859 ESP Fit Center 278 is at 0.042966 3.118459 -1.700859 ESP Fit Center 279 is at -0.379687 3.118459 -1.700859 ESP Fit Center 280 is at -0.785220 2.999383 -1.700859 ESP Fit Center 281 is at -1.140779 2.770880 -1.700859 ESP Fit Center 282 is at -1.417558 2.451459 -1.700859 ESP Fit Center 283 is at 0.693839 2.434648 -1.962021 ESP Fit Center 284 is at 0.351681 2.693034 -1.962021 ESP Fit Center 285 is at -0.060711 2.810369 -1.962021 ESP Fit Center 286 is at -0.487642 2.770808 -1.962021 ESP Fit Center 287 is at -0.871453 2.579693 -1.962021 ESP Fit Center 288 is at -1.160307 2.262836 -1.962021 ESP Fit Center 289 is at -1.315193 1.863029 -1.962021 ESP Fit Center 290 is at 0.351681 0.604264 -1.962021 ESP Fit Center 291 is at 0.527608 2.050466 -2.156082 ESP Fit Center 292 is at 0.233457 2.344617 -2.156082 ESP Fit Center 293 is at -0.168360 2.452284 -2.156082 ESP Fit Center 294 is at -0.570178 2.344617 -2.156082 ESP Fit Center 295 is at -0.864329 2.050466 -2.156082 ESP Fit Center 296 is at -0.971996 1.648649 -2.156082 ESP Fit Center 297 is at -0.168360 0.845014 -2.156082 ESP Fit Center 298 is at 0.233457 0.952680 -2.156082 ESP Fit Center 299 is at 0.241329 1.648649 -2.275584 ESP Fit Center 300 is at 0.036484 2.003450 -2.275584 ESP Fit Center 301 is at -0.373205 2.003450 -2.275584 ESP Fit Center 302 is at -0.578050 1.648649 -2.275584 ESP Fit Center 303 is at -0.373205 1.293847 -2.275584 ESP Fit Center 304 is at 0.036484 1.293847 -2.275584 ESP Fit Center 305 is at -0.168360 1.648649 -2.315935 ESP Fit Center 306 is at 1.178044 1.397483 1.925277 ESP Fit Center 307 is at 1.587734 1.397483 1.884926 ESP Fit Center 308 is at 1.382889 1.752285 1.884926 ESP Fit Center 309 is at 0.973199 1.752285 1.884926 ESP Fit Center 310 is at 0.768354 1.397483 1.884926 ESP Fit Center 311 is at 0.973199 1.042681 1.884926 ESP Fit Center 312 is at 1.382889 1.042681 1.884926 ESP Fit Center 313 is at 1.874013 1.799301 1.765424 ESP Fit Center 314 is at 1.579862 2.093452 1.765424 ESP Fit Center 315 is at 1.178044 2.201118 1.765424 ESP Fit Center 316 is at 0.776226 2.093452 1.765424 ESP Fit Center 317 is at 0.482075 0.995666 1.765424 ESP Fit Center 318 is at 0.776226 0.701515 1.765424 ESP Fit Center 319 is at 0.858762 2.519643 1.571363 ESP Fit Center 320 is at 2.344741 1.397483 -1.920809 ESP Fit Center 321 is at 0.858762 2.519643 -1.920809 ESP Fit Center 322 is at 0.474952 0.466438 -1.920809 ESP Fit Center 323 is at 2.265957 0.976023 -1.920809 ESP Fit Center 324 is at 1.981679 1.397483 -2.114870 ESP Fit Center 325 is at 1.874013 1.799301 -2.114870 ESP Fit Center 326 is at 1.579862 2.093452 -2.114870 ESP Fit Center 327 is at 1.178044 2.201118 -2.114870 ESP Fit Center 328 is at 0.776226 2.093452 -2.114870 ESP Fit Center 329 is at 0.482075 0.995666 -2.114870 ESP Fit Center 330 is at 0.776226 0.701515 -2.114870 ESP Fit Center 331 is at 1.874013 0.995666 -2.114870 ESP Fit Center 332 is at 1.587734 1.397483 -2.234372 ESP Fit Center 333 is at 1.382889 1.752285 -2.234372 ESP Fit Center 334 is at 0.973199 1.752285 -2.234372 ESP Fit Center 335 is at 0.768354 1.397483 -2.234372 ESP Fit Center 336 is at 0.973199 1.042681 -2.234372 ESP Fit Center 337 is at 1.382889 1.042681 -2.234372 ESP Fit Center 338 is at 1.178044 1.397483 -2.274723 ESP Fit Center 339 is at 2.009474 2.257957 1.810734 ESP Fit Center 340 is at 2.416981 2.257957 1.767903 ESP Fit Center 341 is at 2.213227 2.610868 1.767903 ESP Fit Center 342 is at 1.805720 2.610868 1.767903 ESP Fit Center 343 is at 1.601967 2.257957 1.767903 ESP Fit Center 344 is at 1.805720 1.905046 1.767903 ESP Fit Center 345 is at 2.213227 1.905046 1.767903 ESP Fit Center 346 is at 2.806678 2.257957 1.641283 ESP Fit Center 347 is at 2.699873 2.656559 1.641283 ESP Fit Center 348 is at 2.408076 2.948356 1.641283 ESP Fit Center 349 is at 2.009474 3.055161 1.641283 ESP Fit Center 350 is at 1.610872 2.948356 1.641283 ESP Fit Center 351 is at 1.319075 2.656559 1.641283 ESP Fit Center 352 is at 3.161533 2.257957 1.436407 ESP Fit Center 353 is at 3.083737 2.674129 1.436407 ESP Fit Center 354 is at 2.860856 3.034094 1.436407 ESP Fit Center 355 is at 2.522991 3.289238 1.436407 ESP Fit Center 356 is at 2.115772 3.405102 1.436407 ESP Fit Center 357 is at 1.694198 3.366037 1.436407 ESP Fit Center 358 is at 1.315203 3.177320 1.436407 ESP Fit Center 359 is at 1.029973 2.864438 1.436407 ESP Fit Center 360 is at 3.466038 2.257957 1.162230 ESP Fit Center 361 is at 3.407037 2.668319 1.162230 ESP Fit Center 362 is at 3.234813 3.045435 1.162230 ESP Fit Center 363 is at 2.963320 3.358755 1.162230 ESP Fit Center 364 is at 2.614552 3.582894 1.162230 ESP Fit Center 365 is at 2.216764 3.699695 1.162230 ESP Fit Center 366 is at 1.802183 3.699695 1.162230 ESP Fit Center 367 is at 1.404395 3.582894 1.162230 ESP Fit Center 368 is at 1.055627 3.358755 1.162230 ESP Fit Center 369 is at 0.784134 3.045435 1.162230 ESP Fit Center 370 is at 3.706884 2.257957 0.830734 ESP Fit Center 371 is at 3.653556 2.680086 0.830734 ESP Fit Center 372 is at 3.496925 3.075691 0.830734 ESP Fit Center 373 is at 3.246832 3.419914 0.830734 ESP Fit Center 374 is at 2.918991 3.691128 0.830734 ESP Fit Center 375 is at 2.534002 3.872290 0.830734 ESP Fit Center 376 is at 2.116055 3.952017 0.830734 ESP Fit Center 377 is at 1.691411 3.925301 0.830734 ESP Fit Center 378 is at 1.286752 3.793819 0.830734 ESP Fit Center 379 is at 0.927504 3.565834 0.830734 ESP Fit Center 380 is at 3.653556 1.835829 0.830734 ESP Fit Center 381 is at 3.873545 2.257957 0.456407 ESP Fit Center 382 is at 3.826808 2.672752 0.456407 ESP Fit Center 383 is at 3.688944 3.066747 0.456407 ESP Fit Center 384 is at 3.466863 3.420186 0.456407 ESP Fit Center 385 is at 3.171703 3.715346 0.456407 ESP Fit Center 386 is at 2.818264 3.937427 0.456407 ESP Fit Center 387 is at 2.424269 4.075292 0.456407 ESP Fit Center 388 is at 2.009474 4.122028 0.456407 ESP Fit Center 389 is at 1.594679 4.075292 0.456407 ESP Fit Center 390 is at 1.200684 3.937427 0.456407 ESP Fit Center 391 is at 0.847245 3.715346 0.456407 ESP Fit Center 392 is at 3.958737 2.257957 0.055610 ESP Fit Center 393 is at 3.913164 2.676991 0.055610 ESP Fit Center 394 is at 3.778577 3.076431 0.055610 ESP Fit Center 395 is at 3.561269 3.437601 0.055610 ESP Fit Center 396 is at 3.271400 3.743611 0.055610 ESP Fit Center 397 is at 2.922525 3.980154 0.055610 ESP Fit Center 398 is at 2.530957 4.136169 0.055610 ESP Fit Center 399 is at 2.115005 4.204361 0.055610 ESP Fit Center 400 is at 1.694118 4.181542 0.055610 ESP Fit Center 401 is at 1.287977 4.068777 0.055610 ESP Fit Center 402 is at 0.915573 3.871341 0.055610 ESP Fit Center 403 is at 0.594318 3.598464 0.055610 ESP Fit Center 404 is at 3.958737 2.257957 -0.354142 ESP Fit Center 405 is at 3.913164 2.676991 -0.354142 ESP Fit Center 406 is at 3.778577 3.076431 -0.354142 ESP Fit Center 407 is at 3.561269 3.437601 -0.354142 ESP Fit Center 408 is at 3.271400 3.743611 -0.354142 ESP Fit Center 409 is at 2.922525 3.980154 -0.354142 ESP Fit Center 410 is at 2.530957 4.136169 -0.354142 ESP Fit Center 411 is at 2.115005 4.204361 -0.354142 ESP Fit Center 412 is at 1.694118 4.181542 -0.354142 ESP Fit Center 413 is at 1.287977 4.068777 -0.354142 ESP Fit Center 414 is at 0.915573 3.871341 -0.354142 ESP Fit Center 415 is at 3.873545 2.257957 -0.754939 ESP Fit Center 416 is at 3.826808 2.672752 -0.754939 ESP Fit Center 417 is at 3.688944 3.066747 -0.754939 ESP Fit Center 418 is at 3.466863 3.420186 -0.754939 ESP Fit Center 419 is at 3.171703 3.715346 -0.754939 ESP Fit Center 420 is at 2.818264 3.937427 -0.754939 ESP Fit Center 421 is at 2.424269 4.075292 -0.754939 ESP Fit Center 422 is at 2.009474 4.122028 -0.754939 ESP Fit Center 423 is at 1.594679 4.075292 -0.754939 ESP Fit Center 424 is at 1.200684 3.937427 -0.754939 ESP Fit Center 425 is at 0.847245 3.715346 -0.754939 ESP Fit Center 426 is at 3.706884 2.257957 -1.129266 ESP Fit Center 427 is at 3.653556 2.680086 -1.129266 ESP Fit Center 428 is at 3.496925 3.075691 -1.129266 ESP Fit Center 429 is at 3.246832 3.419914 -1.129266 ESP Fit Center 430 is at 2.918991 3.691128 -1.129266 ESP Fit Center 431 is at 2.534002 3.872290 -1.129266 ESP Fit Center 432 is at 2.116055 3.952017 -1.129266 ESP Fit Center 433 is at 1.691411 3.925301 -1.129266 ESP Fit Center 434 is at 1.286752 3.793819 -1.129266 ESP Fit Center 435 is at 0.927504 3.565834 -1.129266 ESP Fit Center 436 is at 3.466038 2.257957 -1.460762 ESP Fit Center 437 is at 3.407037 2.668319 -1.460762 ESP Fit Center 438 is at 3.234813 3.045435 -1.460762 ESP Fit Center 439 is at 2.963320 3.358755 -1.460762 ESP Fit Center 440 is at 2.614552 3.582894 -1.460762 ESP Fit Center 441 is at 2.216764 3.699695 -1.460762 ESP Fit Center 442 is at 1.802183 3.699695 -1.460762 ESP Fit Center 443 is at 1.404395 3.582894 -1.460762 ESP Fit Center 444 is at 1.055627 3.358755 -1.460762 ESP Fit Center 445 is at 3.161533 2.257957 -1.734939 ESP Fit Center 446 is at 3.083737 2.674129 -1.734939 ESP Fit Center 447 is at 2.860856 3.034094 -1.734939 ESP Fit Center 448 is at 2.522991 3.289238 -1.734939 ESP Fit Center 449 is at 2.115772 3.405102 -1.734939 ESP Fit Center 450 is at 1.694198 3.366037 -1.734939 ESP Fit Center 451 is at 1.315203 3.177320 -1.734939 ESP Fit Center 452 is at 1.029973 2.864438 -1.734939 ESP Fit Center 453 is at 2.860856 1.481820 -1.734939 ESP Fit Center 454 is at 3.083737 1.841785 -1.734939 ESP Fit Center 455 is at 2.806678 2.257957 -1.939815 ESP Fit Center 456 is at 2.699873 2.656559 -1.939815 ESP Fit Center 457 is at 2.408076 2.948356 -1.939815 ESP Fit Center 458 is at 2.009474 3.055161 -1.939815 ESP Fit Center 459 is at 1.610872 2.948356 -1.939815 ESP Fit Center 460 is at 1.319075 2.656559 -1.939815 ESP Fit Center 461 is at 2.408076 1.567558 -1.939815 ESP Fit Center 462 is at 2.699873 1.859355 -1.939815 ESP Fit Center 463 is at 2.416981 2.257957 -2.066435 ESP Fit Center 464 is at 2.213227 2.610868 -2.066435 ESP Fit Center 465 is at 1.805720 2.610868 -2.066435 ESP Fit Center 466 is at 1.601967 2.257957 -2.066435 ESP Fit Center 467 is at 2.213227 1.905046 -2.066435 ESP Fit Center 468 is at 2.009474 2.257957 -2.109266 ESP Fit Center 469 is at 1.377587 0.405338 1.916005 ESP Fit Center 470 is at 1.172742 0.050536 1.916005 ESP Fit Center 471 is at 1.377587 -0.304266 1.916005 ESP Fit Center 472 is at 0.886464 0.452354 1.796503 ESP Fit Center 473 is at 0.778797 0.050536 1.796503 ESP Fit Center 474 is at 0.435600 0.264916 1.602442 ESP Fit Center 475 is at 2.444632 0.836535 -1.889730 ESP Fit Center 476 is at 0.435600 0.264916 -1.889730 ESP Fit Center 477 is at 2.278401 0.452354 -2.083791 ESP Fit Center 478 is at 1.984250 0.746505 -2.083791 ESP Fit Center 479 is at 0.886464 0.452354 -2.083791 ESP Fit Center 480 is at 0.778797 0.050536 -2.083791 ESP Fit Center 481 is at 1.582432 -0.753099 -2.083791 ESP Fit Center 482 is at 1.992122 0.050536 -2.203293 ESP Fit Center 483 is at 1.787277 0.405338 -2.203293 ESP Fit Center 484 is at 1.377587 0.405338 -2.203293 ESP Fit Center 485 is at 1.172742 0.050536 -2.203293 ESP Fit Center 486 is at 1.377587 -0.304266 -2.203293 ESP Fit Center 487 is at 1.787277 -0.304266 -2.203293 ESP Fit Center 488 is at 1.582432 0.050536 -2.243644 ESP Fit Center 489 is at 0.684674 -0.961935 1.957745 ESP Fit Center 490 is at 1.094364 -0.961935 1.917395 ESP Fit Center 491 is at 0.889519 -0.607133 1.917395 ESP Fit Center 492 is at 0.479829 -0.607133 1.917395 ESP Fit Center 493 is at 0.274985 -0.961935 1.917395 ESP Fit Center 494 is at 0.479829 -1.316736 1.917395 ESP Fit Center 495 is at 0.889519 -1.316736 1.917395 ESP Fit Center 496 is at 0.684674 -0.158300 1.797892 ESP Fit Center 497 is at 0.282857 -0.265966 1.797892 ESP Fit Center 498 is at -0.011294 -1.363752 1.797892 ESP Fit Center 499 is at 0.282857 -1.657903 1.797892 ESP Fit Center 500 is at 0.684674 -1.765570 1.797892 ESP Fit Center 501 is at 1.086492 -1.657903 1.797892 ESP Fit Center 502 is at 0.365392 0.160225 1.603832 ESP Fit Center 503 is at -0.018418 -1.892980 1.603832 ESP Fit Center 504 is at 0.365392 -2.084094 1.603832 ESP Fit Center 505 is at 0.792323 -2.123655 1.603832 ESP Fit Center 506 is at 1.204716 -2.006320 1.603832 ESP Fit Center 507 is at 0.067814 -2.312669 1.342670 ESP Fit Center 508 is at 0.065504 -2.594554 -1.308952 ESP Fit Center 509 is at 0.067814 -2.312669 -1.627179 ESP Fit Center 510 is at 0.473347 -2.431745 -1.627179 ESP Fit Center 511 is at 0.365392 0.160225 -1.888341 ESP Fit Center 512 is at -0.018418 -1.892980 -1.888341 ESP Fit Center 513 is at 0.365392 -2.084094 -1.888341 ESP Fit Center 514 is at 0.792323 -2.123655 -1.888341 ESP Fit Center 515 is at 1.204716 -2.006320 -1.888341 ESP Fit Center 516 is at 1.546874 -1.747934 -1.888341 ESP Fit Center 517 is at 1.488309 -0.961935 -2.082402 ESP Fit Center 518 is at 0.684674 -0.158300 -2.082402 ESP Fit Center 519 is at 0.282857 -0.265966 -2.082402 ESP Fit Center 520 is at 0.282857 -1.657903 -2.082402 ESP Fit Center 521 is at 0.684674 -1.765570 -2.082402 ESP Fit Center 522 is at 1.086492 -1.657903 -2.082402 ESP Fit Center 523 is at 1.380643 -1.363752 -2.082402 ESP Fit Center 524 is at 1.094364 -0.961935 -2.201904 ESP Fit Center 525 is at 0.889519 -0.607133 -2.201904 ESP Fit Center 526 is at 0.479829 -0.607133 -2.201904 ESP Fit Center 527 is at 0.274985 -0.961935 -2.201904 ESP Fit Center 528 is at 0.479829 -1.316736 -2.201904 ESP Fit Center 529 is at 0.889519 -1.316736 -2.201904 ESP Fit Center 530 is at 0.684674 -0.961935 -2.242255 ESP Fit Center 531 is at -0.632036 -0.716986 1.904949 ESP Fit Center 532 is at -0.222347 -0.716986 1.864598 ESP Fit Center 533 is at -0.427191 -0.362184 1.864598 ESP Fit Center 534 is at -0.836881 -0.362184 1.864598 ESP Fit Center 535 is at -1.041726 -0.716986 1.864598 ESP Fit Center 536 is at -0.836881 -1.071788 1.864598 ESP Fit Center 537 is at -0.427191 -1.071788 1.864598 ESP Fit Center 538 is at -0.230219 -0.021018 1.745096 ESP Fit Center 539 is at -1.328005 -0.315168 1.745096 ESP Fit Center 540 is at -1.435671 -0.716986 1.745096 ESP Fit Center 541 is at -1.328005 -1.118804 1.745096 ESP Fit Center 542 is at -1.033854 -1.412955 1.745096 ESP Fit Center 543 is at -0.632036 -1.520621 1.745096 ESP Fit Center 544 is at -0.230219 -1.412955 1.745096 ESP Fit Center 545 is at -0.524387 -1.878707 1.551035 ESP Fit Center 546 is at 0.230164 0.069013 -1.941137 ESP Fit Center 547 is at -0.111994 -1.761371 -1.941137 ESP Fit Center 548 is at 0.063932 -0.315168 -2.135198 ESP Fit Center 549 is at -0.230219 -0.021018 -2.135198 ESP Fit Center 550 is at -1.328005 -0.315168 -2.135198 ESP Fit Center 551 is at -0.230219 -1.412955 -2.135198 ESP Fit Center 552 is at -0.222347 -0.716986 -2.254700 ESP Fit Center 553 is at -0.427191 -0.362184 -2.254700 ESP Fit Center 554 is at -0.836881 -0.362184 -2.254700 ESP Fit Center 555 is at -1.041726 -0.716986 -2.254700 ESP Fit Center 556 is at -0.836881 -1.071788 -2.254700 ESP Fit Center 557 is at -0.427191 -1.071788 -2.254700 ESP Fit Center 558 is at -0.632036 -0.716986 -2.295051 ESP Fit Center 559 is at 4.405829 1.405090 0.722151 ESP Fit Center 560 is at 4.057442 1.668180 0.722151 ESP Fit Center 561 is at 4.982854 0.604780 0.374212 ESP Fit Center 562 is at 4.918216 1.033626 0.374212 ESP Fit Center 563 is at 4.730045 1.424368 0.374212 ESP Fit Center 564 is at 4.435061 1.742285 0.374212 ESP Fit Center 565 is at 4.059474 1.959130 0.374212 ESP Fit Center 566 is at 5.150687 0.604780 -0.030972 ESP Fit Center 567 is at 5.095393 1.024780 -0.030972 ESP Fit Center 568 is at 4.933279 1.416158 -0.030972 ESP Fit Center 569 is at 4.675393 1.752242 -0.030972 ESP Fit Center 570 is at 4.339309 2.010128 -0.030972 ESP Fit Center 571 is at 5.095393 0.184780 -0.030972 ESP Fit Center 572 is at 5.207931 0.604780 -0.465788 ESP Fit Center 573 is at 5.155151 1.022579 -0.465788 ESP Fit Center 574 is at 5.000127 1.414127 -0.465788 ESP Fit Center 575 is at 4.752599 1.754820 -0.465788 ESP Fit Center 576 is at 4.428120 2.023251 -0.465788 ESP Fit Center 577 is at 4.047080 2.202555 -0.465788 ESP Fit Center 578 is at 5.155151 0.186981 -0.465788 ESP Fit Center 579 is at 5.150687 0.604780 -0.900604 ESP Fit Center 580 is at 5.095393 1.024780 -0.900604 ESP Fit Center 581 is at 4.933279 1.416158 -0.900604 ESP Fit Center 582 is at 4.675393 1.752242 -0.900604 ESP Fit Center 583 is at 4.339309 2.010128 -0.900604 ESP Fit Center 584 is at 3.947931 2.172242 -0.900604 ESP Fit Center 585 is at 5.095393 0.184780 -0.900604 ESP Fit Center 586 is at 4.982854 0.604780 -1.305788 ESP Fit Center 587 is at 4.918216 1.033626 -1.305788 ESP Fit Center 588 is at 4.730045 1.424368 -1.305788 ESP Fit Center 589 is at 4.435061 1.742285 -1.305788 ESP Fit Center 590 is at 4.059474 1.959130 -1.305788 ESP Fit Center 591 is at 3.636658 2.055635 -1.305788 ESP Fit Center 592 is at 4.918216 0.175934 -1.305788 ESP Fit Center 593 is at 4.715871 0.604780 -1.653728 ESP Fit Center 594 is at 4.635652 1.033914 -1.653728 ESP Fit Center 595 is at 4.405829 1.405090 -1.653728 ESP Fit Center 596 is at 4.057442 1.668180 -1.653728 ESP Fit Center 597 is at 3.637541 1.787652 -1.653728 ESP Fit Center 598 is at 3.202836 1.747371 -1.653728 ESP Fit Center 599 is at 4.635652 0.175647 -1.653728 ESP Fit Center 600 is at 4.367931 0.604780 -1.920711 ESP Fit Center 601 is at 4.255393 1.024780 -1.920711 ESP Fit Center 602 is at 3.947931 1.332242 -1.920711 ESP Fit Center 603 is at 3.527931 1.444780 -1.920711 ESP Fit Center 604 is at 3.107931 1.332242 -1.920711 ESP Fit Center 605 is at 2.800470 1.024780 -1.920711 ESP Fit Center 606 is at 4.255393 0.184780 -1.920711 ESP Fit Center 607 is at 3.962747 0.604780 -2.088544 ESP Fit Center 608 is at 3.745339 0.981342 -2.088544 ESP Fit Center 609 is at 3.310523 0.981342 -2.088544 ESP Fit Center 610 is at 3.093115 0.604780 -2.088544 ESP Fit Center 611 is at 3.527931 0.604780 -2.145788 ESP Fit Center 612 is at 4.945652 -0.601943 3.087450 ESP Fit Center 613 is at 4.728244 -0.225382 3.087450 ESP Fit Center 614 is at 4.728244 -0.978505 3.087450 ESP Fit Center 615 is at 5.350836 -0.601943 2.919617 ESP Fit Center 616 is at 5.238297 -0.181943 2.919617 ESP Fit Center 617 is at 4.930836 0.125518 2.919617 ESP Fit Center 618 is at 4.510836 -1.441943 2.919617 ESP Fit Center 619 is at 4.930836 -1.329405 2.919617 ESP Fit Center 620 is at 5.238297 -1.021943 2.919617 ESP Fit Center 621 is at 5.698775 -0.601943 2.652634 ESP Fit Center 622 is at 5.618556 -0.172810 2.652634 ESP Fit Center 623 is at 5.388733 0.198366 2.652634 ESP Fit Center 624 is at 5.040346 0.461456 2.652634 ESP Fit Center 625 is at 4.620445 -1.784815 2.652634 ESP Fit Center 626 is at 5.040346 -1.665343 2.652634 ESP Fit Center 627 is at 5.388733 -1.402253 2.652634 ESP Fit Center 628 is at 5.618556 -1.031077 2.652634 ESP Fit Center 629 is at 5.965758 -0.601943 2.304695 ESP Fit Center 630 is at 5.901120 -0.173098 2.304695 ESP Fit Center 631 is at 5.712949 0.217644 2.304695 ESP Fit Center 632 is at 5.417965 0.535561 2.304695 ESP Fit Center 633 is at 5.042379 0.752406 2.304695 ESP Fit Center 634 is at 4.619562 -2.052798 2.304695 ESP Fit Center 635 is at 5.042379 -1.956293 2.304695 ESP Fit Center 636 is at 5.417965 -1.739448 2.304695 ESP Fit Center 637 is at 5.712949 -1.421531 2.304695 ESP Fit Center 638 is at 5.901120 -1.030789 2.304695 ESP Fit Center 639 is at 6.133591 -0.601943 1.899511 ESP Fit Center 640 is at 6.078297 -0.181943 1.899511 ESP Fit Center 641 is at 5.916183 0.209434 1.899511 ESP Fit Center 642 is at 5.658297 0.545518 1.899511 ESP Fit Center 643 is at 5.322213 0.803404 1.899511 ESP Fit Center 644 is at 4.510836 -2.224699 1.899511 ESP Fit Center 645 is at 4.930836 -2.169405 1.899511 ESP Fit Center 646 is at 5.322213 -2.007291 1.899511 ESP Fit Center 647 is at 5.658297 -1.749405 1.899511 ESP Fit Center 648 is at 5.916183 -1.413321 1.899511 ESP Fit Center 649 is at 6.078297 -1.021943 1.899511 ESP Fit Center 650 is at 6.190836 -0.601943 1.464695 ESP Fit Center 651 is at 6.138055 -0.184144 1.464695 ESP Fit Center 652 is at 5.983031 0.207403 1.464695 ESP Fit Center 653 is at 5.735503 0.548096 1.464695 ESP Fit Center 654 is at 5.411025 0.816527 1.464695 ESP Fit Center 655 is at 5.029984 0.995831 1.464695 ESP Fit Center 656 is at 4.616324 -2.278628 1.464695 ESP Fit Center 657 is at 5.029984 -2.199718 1.464695 ESP Fit Center 658 is at 5.411025 -2.020414 1.464695 ESP Fit Center 659 is at 5.735503 -1.751983 1.464695 ESP Fit Center 660 is at 5.983031 -1.411290 1.464695 ESP Fit Center 661 is at 6.138055 -1.019743 1.464695 ESP Fit Center 662 is at 6.133591 -0.601943 1.029879 ESP Fit Center 663 is at 6.078297 -0.181943 1.029879 ESP Fit Center 664 is at 5.916183 0.209434 1.029879 ESP Fit Center 665 is at 5.658297 0.545518 1.029879 ESP Fit Center 666 is at 5.322213 0.803404 1.029879 ESP Fit Center 667 is at 4.510836 -2.224699 1.029879 ESP Fit Center 668 is at 4.930836 -2.169405 1.029879 ESP Fit Center 669 is at 5.322213 -2.007291 1.029879 ESP Fit Center 670 is at 5.658297 -1.749405 1.029879 ESP Fit Center 671 is at 5.916183 -1.413321 1.029879 ESP Fit Center 672 is at 6.078297 -1.021943 1.029879 ESP Fit Center 673 is at 5.965758 -0.601943 0.624695 ESP Fit Center 674 is at 5.901120 -0.173098 0.624695 ESP Fit Center 675 is at 5.712949 0.217644 0.624695 ESP Fit Center 676 is at 5.417965 0.535561 0.624695 ESP Fit Center 677 is at 5.042379 0.752406 0.624695 ESP Fit Center 678 is at 4.619562 -2.052798 0.624695 ESP Fit Center 679 is at 5.042379 -1.956293 0.624695 ESP Fit Center 680 is at 5.417965 -1.739448 0.624695 ESP Fit Center 681 is at 5.712949 -1.421531 0.624695 ESP Fit Center 682 is at 5.901120 -1.030789 0.624695 ESP Fit Center 683 is at 5.698775 -0.601943 0.276755 ESP Fit Center 684 is at 5.618556 -0.172810 0.276755 ESP Fit Center 685 is at 5.388733 0.198366 0.276755 ESP Fit Center 686 is at 5.040346 0.461456 0.276755 ESP Fit Center 687 is at 5.040346 -1.665343 0.276755 ESP Fit Center 688 is at 5.388733 -1.402253 0.276755 ESP Fit Center 689 is at 5.618556 -1.031077 0.276755 ESP Fit Center 690 is at 5.350836 -0.601943 0.009772 ESP Fit Center 691 is at 5.238297 -0.181943 0.009772 ESP Fit Center 692 is at 5.238297 -1.021943 0.009772 ESP Fit Center 693 is at 3.209284 0.471729 3.659285 ESP Fit Center 694 is at 3.644100 0.471729 3.602041 ESP Fit Center 695 is at 3.426692 0.848291 3.602041 ESP Fit Center 696 is at 2.991876 0.848291 3.602041 ESP Fit Center 697 is at 2.774468 0.471729 3.602041 ESP Fit Center 698 is at 2.991876 0.095167 3.602041 ESP Fit Center 699 is at 3.426692 0.095167 3.602041 ESP Fit Center 700 is at 4.049284 0.471729 3.434208 ESP Fit Center 701 is at 3.936745 0.891729 3.434208 ESP Fit Center 702 is at 3.629284 1.199190 3.434208 ESP Fit Center 703 is at 3.209284 1.311729 3.434208 ESP Fit Center 704 is at 2.789284 1.199190 3.434208 ESP Fit Center 705 is at 2.481822 0.891729 3.434208 ESP Fit Center 706 is at 2.369284 0.471729 3.434208 ESP Fit Center 707 is at 2.481822 0.051729 3.434208 ESP Fit Center 708 is at 2.789284 -0.255733 3.434208 ESP Fit Center 709 is at 3.936745 0.051729 3.434208 ESP Fit Center 710 is at 4.397223 0.471729 3.167225 ESP Fit Center 711 is at 4.317004 0.900862 3.167225 ESP Fit Center 712 is at 4.087181 1.272038 3.167225 ESP Fit Center 713 is at 3.738794 1.535129 3.167225 ESP Fit Center 714 is at 3.318893 1.654601 3.167225 ESP Fit Center 715 is at 2.884189 1.614319 3.167225 ESP Fit Center 716 is at 2.493390 1.419725 3.167225 ESP Fit Center 717 is at 2.199277 1.097098 3.167225 ESP Fit Center 718 is at 2.041571 0.690012 3.167225 ESP Fit Center 719 is at 2.041571 0.253446 3.167225 ESP Fit Center 720 is at 2.199277 -0.153641 3.167225 ESP Fit Center 721 is at 4.599568 0.900575 2.819285 ESP Fit Center 722 is at 4.411397 1.291316 2.819285 ESP Fit Center 723 is at 4.116413 1.609233 2.819285 ESP Fit Center 724 is at 3.740827 1.826078 2.819285 ESP Fit Center 725 is at 3.318010 1.922583 2.819285 ESP Fit Center 726 is at 2.885533 1.890174 2.819285 ESP Fit Center 727 is at 2.481822 1.731729 2.819285 ESP Fit Center 728 is at 2.142750 1.461328 2.819285 ESP Fit Center 729 is at 1.898444 1.102996 2.819285 ESP Fit Center 730 is at 1.770611 0.688574 2.819285 ESP Fit Center 731 is at 1.770611 0.254884 2.819285 ESP Fit Center 732 is at 1.898444 -0.159538 2.819285 ESP Fit Center 733 is at 4.776745 0.891729 2.414101 ESP Fit Center 734 is at 4.614631 1.283107 2.414101 ESP Fit Center 735 is at 4.356745 1.619190 2.414101 ESP Fit Center 736 is at 4.020661 1.877076 2.414101 ESP Fit Center 737 is at 3.629284 2.039190 2.414101 ESP Fit Center 738 is at 3.209284 2.094484 2.414101 ESP Fit Center 739 is at 2.789284 2.039190 2.414101 ESP Fit Center 740 is at 2.397906 1.877076 2.414101 ESP Fit Center 741 is at 2.061822 1.619190 2.414101 ESP Fit Center 742 is at 1.803936 1.283107 2.414101 ESP Fit Center 743 is at 1.641822 0.891729 2.414101 ESP Fit Center 744 is at 1.586528 0.471729 2.414101 ESP Fit Center 745 is at 1.641822 0.051729 2.414101 ESP Fit Center 746 is at 4.681479 1.281075 1.979285 ESP Fit Center 747 is at 4.433951 1.621768 1.979285 ESP Fit Center 748 is at 4.109473 1.890200 1.979285 ESP Fit Center 749 is at 3.728432 2.069504 1.979285 ESP Fit Center 750 is at 3.314772 2.148414 1.979285 ESP Fit Center 751 is at 2.894483 2.121971 1.979285 ESP Fit Center 752 is at 2.493974 1.991838 1.979285 ESP Fit Center 753 is at 2.138411 1.766191 1.979285 ESP Fit Center 754 is at 1.850135 1.459208 1.979285 ESP Fit Center 755 is at 1.647259 1.090178 1.979285 ESP Fit Center 756 is at 1.542531 0.682289 1.979285 ESP Fit Center 757 is at 4.356745 1.619190 1.544469 ESP Fit Center 758 is at 4.020661 1.877076 1.544469 ESP Fit Center 759 is at 3.629284 2.039190 1.544469 ESP Fit Center 760 is at 3.209284 2.094484 1.544469 ESP Fit Center 761 is at 4.116413 1.609233 1.139285 ESP Fit Center 762 is at 3.740827 1.826078 1.139285 ESP Fit Center 763 is at -3.307516 0.032695 2.297040 ESP Fit Center 764 is at -2.897827 0.032695 2.256689 ESP Fit Center 765 is at -3.102671 0.387496 2.256689 ESP Fit Center 766 is at -3.512361 0.387496 2.256689 ESP Fit Center 767 is at -3.717206 0.032695 2.256689 ESP Fit Center 768 is at -3.512361 -0.322107 2.256689 ESP Fit Center 769 is at -3.102671 -0.322107 2.256689 ESP Fit Center 770 is at -2.503881 0.032695 2.137187 ESP Fit Center 771 is at -2.611548 0.434512 2.137187 ESP Fit Center 772 is at -2.905699 0.728663 2.137187 ESP Fit Center 773 is at -3.307516 0.836330 2.137187 ESP Fit Center 774 is at -3.709334 -0.663274 2.137187 ESP Fit Center 775 is at -2.611548 -0.369123 2.137187 ESP Fit Center 776 is at -2.140819 0.032695 1.943126 ESP Fit Center 777 is at -2.219603 0.454154 1.943126 ESP Fit Center 778 is at -2.445316 0.818694 1.943126 ESP Fit Center 779 is at -2.787475 1.077079 1.943126 ESP Fit Center 780 is at -3.199867 1.194415 1.943126 ESP Fit Center 781 is at -4.010609 -0.898350 1.943126 ESP Fit Center 782 is at -1.822592 0.032695 1.681964 ESP Fit Center 783 is at -3.096190 1.502505 1.681964 ESP Fit Center 784 is at -4.716054 -1.301543 -0.606595 ESP Fit Center 785 is at -4.614481 -1.125175 -0.969657 ESP Fit Center 786 is at -4.556714 -0.770116 -1.287884 ESP Fit Center 787 is at -4.279935 -1.089536 -1.287884 ESP Fit Center 788 is at -4.010609 0.963739 -1.549046 ESP Fit Center 789 is at -4.299463 0.646882 -1.549046 ESP Fit Center 790 is at -4.454349 0.247075 -1.549046 ESP Fit Center 791 is at -4.454349 -0.181685 -1.549046 ESP Fit Center 792 is at -4.299463 -0.581492 -1.549046 ESP Fit Center 793 is at -4.010609 -0.898350 -1.549046 ESP Fit Center 794 is at -3.626798 -1.089465 -1.549046 ESP Fit Center 795 is at -4.003485 0.434512 -1.743107 ESP Fit Center 796 is at -4.111152 0.032695 -1.743107 ESP Fit Center 797 is at -4.003485 -0.369123 -1.743107 ESP Fit Center 798 is at -3.709334 -0.663274 -1.743107 ESP Fit Center 799 is at -3.307516 -0.770941 -1.743107 ESP Fit Center 800 is at -3.717206 0.032695 -1.862609 ESP Fit Center 801 is at -3.512361 -0.322107 -1.862609 ESP Fit Center 802 is at -3.102671 -0.322107 -1.862609 ESP Fit Center 803 is at -3.307516 0.032695 -1.902960 ESP Fit Center 804 is at -2.396167 2.260339 1.399789 ESP Fit Center 805 is at -2.830983 2.260339 1.399789 ESP Fit Center 806 is at -2.193575 2.611238 1.231956 ESP Fit Center 807 is at -2.613575 2.723777 1.231956 ESP Fit Center 808 is at -3.033575 2.611238 1.231956 ESP Fit Center 809 is at -3.341036 2.303777 1.231956 ESP Fit Center 810 is at -1.735677 2.684086 0.964973 ESP Fit Center 811 is at -2.084065 2.947177 0.964973 ESP Fit Center 812 is at -2.503966 3.066649 0.964973 ESP Fit Center 813 is at -2.938670 3.026367 0.964973 ESP Fit Center 814 is at -3.329468 2.831773 0.964973 ESP Fit Center 815 is at -3.623581 2.509146 0.964973 ESP Fit Center 816 is at -1.706446 3.021281 0.617034 ESP Fit Center 817 is at -2.082032 3.238126 0.617034 ESP Fit Center 818 is at -2.504849 3.334631 0.617034 ESP Fit Center 819 is at -2.937326 3.302222 0.617034 ESP Fit Center 820 is at -3.341036 3.143777 0.617034 ESP Fit Center 821 is at -3.680109 2.873376 0.617034 ESP Fit Center 822 is at -3.924415 2.515044 0.617034 ESP Fit Center 823 is at -1.802197 3.289124 0.211850 ESP Fit Center 824 is at -2.193575 3.451238 0.211850 ESP Fit Center 825 is at -2.613575 3.506532 0.211850 ESP Fit Center 826 is at -3.033575 3.451238 0.211850 ESP Fit Center 827 is at -3.424953 3.289124 0.211850 ESP Fit Center 828 is at -3.761036 3.031238 0.211850 ESP Fit Center 829 is at -4.018922 2.695155 0.211850 ESP Fit Center 830 is at -1.713386 3.302248 -0.222966 ESP Fit Center 831 is at -2.094426 3.481552 -0.222966 ESP Fit Center 832 is at -2.508087 3.560462 -0.222966 ESP Fit Center 833 is at -2.928376 3.534019 -0.222966 ESP Fit Center 834 is at -3.328884 3.403886 -0.222966 ESP Fit Center 835 is at -3.684447 3.178239 -0.222966 ESP Fit Center 836 is at -3.972724 2.871256 -0.222966 ESP Fit Center 837 is at -4.175600 2.502226 -0.222966 ESP Fit Center 838 is at -1.802197 3.289124 -0.657782 ESP Fit Center 839 is at -2.193575 3.451238 -0.657782 ESP Fit Center 840 is at -2.613575 3.506532 -0.657782 ESP Fit Center 841 is at -3.033575 3.451238 -0.657782 ESP Fit Center 842 is at -3.424953 3.289124 -0.657782 ESP Fit Center 843 is at -3.761036 3.031238 -0.657782 ESP Fit Center 844 is at -4.018922 2.695155 -0.657782 ESP Fit Center 845 is at -4.181036 2.303777 -0.657782 ESP Fit Center 846 is at -1.706446 3.021281 -1.062966 ESP Fit Center 847 is at -2.082032 3.238126 -1.062966 ESP Fit Center 848 is at -2.504849 3.334631 -1.062966 ESP Fit Center 849 is at -2.937326 3.302222 -1.062966 ESP Fit Center 850 is at -3.341036 3.143777 -1.062966 ESP Fit Center 851 is at -3.680109 2.873376 -1.062966 ESP Fit Center 852 is at -3.924415 2.515044 -1.062966 ESP Fit Center 853 is at -4.052247 2.100622 -1.062966 ESP Fit Center 854 is at -1.735677 2.684086 -1.410906 ESP Fit Center 855 is at -2.084065 2.947177 -1.410906 ESP Fit Center 856 is at -2.503966 3.066649 -1.410906 ESP Fit Center 857 is at -2.938670 3.026367 -1.410906 ESP Fit Center 858 is at -3.329468 2.831773 -1.410906 ESP Fit Center 859 is at -3.623581 2.509146 -1.410906 ESP Fit Center 860 is at -3.781288 2.102060 -1.410906 ESP Fit Center 861 is at -2.193575 2.611238 -1.677889 ESP Fit Center 862 is at -2.613575 2.723777 -1.677889 ESP Fit Center 863 is at -3.033575 2.611238 -1.677889 ESP Fit Center 864 is at -3.341036 2.303777 -1.677889 ESP Fit Center 865 is at -2.396167 2.260339 -1.845722 ESP Fit Center 866 is at -2.830983 2.260339 -1.845722 ESP Fit Center 867 is at 0.882368 -2.327304 1.495980 ESP Fit Center 868 is at 1.317184 -2.327304 1.495980 ESP Fit Center 869 is at 0.679776 -2.678204 1.328147 ESP Fit Center 870 is at 1.099776 -2.790743 1.328147 ESP Fit Center 871 is at 1.519776 -2.678204 1.328147 ESP Fit Center 872 is at 0.383882 -2.898739 1.061164 ESP Fit Center 873 is at 0.774681 -3.093333 1.061164 ESP Fit Center 874 is at 1.209385 -3.133615 1.061164 ESP Fit Center 875 is at 1.629286 -3.014142 1.061164 ESP Fit Center 876 is at 1.977673 -2.751052 1.061164 ESP Fit Center 877 is at 0.033242 -2.940341 0.713225 ESP Fit Center 878 is at 0.372314 -3.210743 0.713225 ESP Fit Center 879 is at 0.776025 -3.369187 0.713225 ESP Fit Center 880 is at 1.208502 -3.401597 0.713225 ESP Fit Center 881 is at 1.631319 -3.305092 0.713225 ESP Fit Center 882 is at 2.006905 -3.088247 0.713225 ESP Fit Center 883 is at 2.301889 -2.770330 0.713225 ESP Fit Center 884 is at 0.288398 -3.356090 0.308041 ESP Fit Center 885 is at 0.679776 -3.518204 0.308041 ESP Fit Center 886 is at 1.099776 -3.573498 0.308041 ESP Fit Center 887 is at 1.519776 -3.518204 0.308041 ESP Fit Center 888 is at 1.911153 -3.356090 0.308041 ESP Fit Center 889 is at 2.247237 -3.098204 0.308041 ESP Fit Center 890 is at 0.384466 -3.470852 -0.126775 ESP Fit Center 891 is at 0.784975 -3.600985 -0.126775 ESP Fit Center 892 is at 1.205264 -3.627428 -0.126775 ESP Fit Center 893 is at 1.618924 -3.548518 -0.126775 ESP Fit Center 894 is at 1.999965 -3.369214 -0.126775 ESP Fit Center 895 is at 2.324443 -3.100782 -0.126775 ESP Fit Center 896 is at -0.047686 -3.098204 -0.561591 ESP Fit Center 897 is at 0.288398 -3.356090 -0.561591 ESP Fit Center 898 is at 0.679776 -3.518204 -0.561591 ESP Fit Center 899 is at 1.099776 -3.573498 -0.561591 ESP Fit Center 900 is at 1.519776 -3.518204 -0.561591 ESP Fit Center 901 is at 1.911153 -3.356090 -0.561591 ESP Fit Center 902 is at 2.247237 -3.098204 -0.561591 ESP Fit Center 903 is at 0.033242 -2.940341 -0.966775 ESP Fit Center 904 is at 0.372314 -3.210743 -0.966775 ESP Fit Center 905 is at 0.776025 -3.369187 -0.966775 ESP Fit Center 906 is at 1.208502 -3.401597 -0.966775 ESP Fit Center 907 is at 1.631319 -3.305092 -0.966775 ESP Fit Center 908 is at 2.006905 -3.088247 -0.966775 ESP Fit Center 909 is at 0.383882 -2.898739 -1.314715 ESP Fit Center 910 is at 0.774681 -3.093333 -1.314715 ESP Fit Center 911 is at 1.209385 -3.133615 -1.314715 ESP Fit Center 912 is at 1.629286 -3.014142 -1.314715 ESP Fit Center 913 is at 1.977673 -2.751052 -1.314715 ESP Fit Center 914 is at 0.679776 -2.678204 -1.581698 ESP Fit Center 915 is at 1.099776 -2.790743 -1.581698 ESP Fit Center 916 is at 1.519776 -2.678204 -1.581698 ESP Fit Center 917 is at 1.827237 -2.370743 -1.581698 ESP Fit Center 918 is at 0.882368 -2.327304 -1.749531 ESP Fit Center 919 is at 1.317184 -2.327304 -1.749531 ESP Fit Center 920 is at -1.341893 -1.701490 1.736652 ESP Fit Center 921 is at -1.546738 -2.056292 1.736652 ESP Fit Center 922 is at -3.236507 -3.186415 -0.322997 ESP Fit Center 923 is at -3.314358 -3.043089 -0.732687 ESP Fit Center 924 is at -3.012306 -3.330211 -0.732687 ESP Fit Center 925 is at -2.658640 -3.550653 -0.732687 ESP Fit Center 926 is at -2.469705 -3.503842 -1.126632 ESP Fit Center 927 is at -0.495558 -3.180197 -1.126632 ESP Fit Center 928 is at -0.207045 -2.875617 -1.126632 ESP Fit Center 929 is at -1.132412 -3.334109 -1.489695 ESP Fit Center 930 is at -0.759693 -3.138491 -1.489695 ESP Fit Center 931 is at -0.444619 -2.859360 -1.489695 ESP Fit Center 932 is at -0.205500 -2.512937 -1.489695 ESP Fit Center 933 is at -0.502385 -2.504301 -1.807921 ESP Fit Center 934 is at -0.326809 -2.119842 -1.807921 ESP Fit Center 935 is at 2.931252 -1.268994 3.536558 ESP Fit Center 936 is at 3.366068 -1.268994 3.479314 ESP Fit Center 937 is at 3.148660 -0.892432 3.479314 ESP Fit Center 938 is at 2.713844 -0.892432 3.479314 ESP Fit Center 939 is at 2.496436 -1.268994 3.479314 ESP Fit Center 940 is at 2.713844 -1.645556 3.479314 ESP Fit Center 941 is at 3.148660 -1.645556 3.479314 ESP Fit Center 942 is at 3.771252 -1.268994 3.311481 ESP Fit Center 943 is at 2.511252 -0.541533 3.311481 ESP Fit Center 944 is at 2.203791 -0.848994 3.311481 ESP Fit Center 945 is at 2.091252 -1.268994 3.311481 ESP Fit Center 946 is at 2.203791 -1.688994 3.311481 ESP Fit Center 947 is at 2.511252 -1.996455 3.311481 ESP Fit Center 948 is at 2.931252 -2.108994 3.311481 ESP Fit Center 949 is at 3.351252 -1.996455 3.311481 ESP Fit Center 950 is at 3.658713 -1.688994 3.311481 ESP Fit Center 951 is at 1.921246 -0.643625 3.044498 ESP Fit Center 952 is at 1.763540 -1.050711 3.044498 ESP Fit Center 953 is at 1.763540 -1.487277 3.044498 ESP Fit Center 954 is at 1.921246 -1.894364 3.044498 ESP Fit Center 955 is at 2.215359 -2.216990 3.044498 ESP Fit Center 956 is at 2.606157 -2.411585 3.044498 ESP Fit Center 957 is at 3.040861 -2.451866 3.044498 ESP Fit Center 958 is at 3.460762 -2.332394 3.044498 ESP Fit Center 959 is at 3.809150 -2.069304 3.044498 ESP Fit Center 960 is at 4.038973 -1.698127 3.044498 ESP Fit Center 961 is at 1.620412 -0.637727 2.696558 ESP Fit Center 962 is at 1.492580 -1.052149 2.696558 ESP Fit Center 963 is at 1.492580 -1.485839 2.696558 ESP Fit Center 964 is at 1.620412 -1.900261 2.696558 ESP Fit Center 965 is at 1.864718 -2.258593 2.696558 ESP Fit Center 966 is at 2.203791 -2.528994 2.696558 ESP Fit Center 967 is at 2.607501 -2.687439 2.696558 ESP Fit Center 968 is at 3.039979 -2.719849 2.696558 ESP Fit Center 969 is at 3.462795 -2.623343 2.696558 ESP Fit Center 970 is at 3.838382 -2.406498 2.696558 ESP Fit Center 971 is at 4.133366 -2.088581 2.696558 ESP Fit Center 972 is at 1.525905 -0.457616 2.291374 ESP Fit Center 973 is at 1.363791 -0.848994 2.291374 ESP Fit Center 974 is at 1.308497 -1.268994 2.291374 ESP Fit Center 975 is at 1.363791 -1.688994 2.291374 ESP Fit Center 976 is at 1.525905 -2.080372 2.291374 ESP Fit Center 977 is at 1.783791 -2.416455 2.291374 ESP Fit Center 978 is at 2.119874 -2.674342 2.291374 ESP Fit Center 979 is at 2.511252 -2.836455 2.291374 ESP Fit Center 980 is at 2.931252 -2.891750 2.291374 ESP Fit Center 981 is at 3.351252 -2.836455 2.291374 ESP Fit Center 982 is at 3.742630 -2.674342 2.291374 ESP Fit Center 983 is at 4.078713 -2.416455 2.291374 ESP Fit Center 984 is at 1.369228 -0.650545 1.856558 ESP Fit Center 985 is at 1.264499 -1.479554 1.856558 ESP Fit Center 986 is at 1.369228 -1.887443 1.856558 ESP Fit Center 987 is at 1.572104 -2.256473 1.856558 ESP Fit Center 988 is at 1.860380 -2.563456 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ESP Fit Center 1062 is at 3.035813 -2.383910 -2.839016 ESP Fit Center 1063 is at 3.470518 -2.424191 -2.839016 ESP Fit Center 1064 is at 3.890418 -2.304719 -2.839016 ESP Fit Center 1065 is at 4.238806 -2.041629 -2.839016 ESP Fit Center 1066 is at 4.468629 -1.670453 -2.839016 ESP Fit Center 1067 is at 4.200908 -1.241319 -3.106000 ESP Fit Center 1068 is at 4.088370 -0.821319 -3.106000 ESP Fit Center 1069 is at 3.780908 -0.513858 -3.106000 ESP Fit Center 1070 is at 3.360908 -0.401319 -3.106000 ESP Fit Center 1071 is at 2.940908 -0.513858 -3.106000 ESP Fit Center 1072 is at 2.633447 -0.821319 -3.106000 ESP Fit Center 1073 is at 2.520908 -1.241319 -3.106000 ESP Fit Center 1074 is at 2.633447 -1.661319 -3.106000 ESP Fit Center 1075 is at 2.940908 -1.968781 -3.106000 ESP Fit Center 1076 is at 3.360908 -2.081319 -3.106000 ESP Fit Center 1077 is at 3.780908 -1.968781 -3.106000 ESP Fit Center 1078 is at 4.088370 -1.661319 -3.106000 ESP Fit Center 1079 is at 3.795724 -1.241319 -3.273832 ESP Fit Center 1080 is at 3.578316 -0.864758 -3.273832 ESP Fit Center 1081 is at 3.143500 -0.864758 -3.273832 ESP Fit Center 1082 is at 2.926092 -1.241319 -3.273832 ESP Fit Center 1083 is at 3.143500 -1.617881 -3.273832 ESP Fit Center 1084 is at 3.578316 -1.617881 -3.273832 ESP Fit Center 1085 is at 3.360908 -1.241319 -3.331077 ESP Fit Center 1086 is at -4.412858 0.376805 2.391618 ESP Fit Center 1087 is at -4.005351 0.376805 2.348787 ESP Fit Center 1088 is at -4.209105 0.729717 2.348787 ESP Fit Center 1089 is at -4.616612 0.729717 2.348787 ESP Fit Center 1090 is at -4.820365 0.376805 2.348787 ESP Fit Center 1091 is at -4.616612 0.023894 2.348787 ESP Fit Center 1092 is at -4.209105 0.023894 2.348787 ESP Fit Center 1093 is at -3.722459 0.775407 2.222167 ESP Fit Center 1094 is at -4.014256 1.067204 2.222167 ESP Fit Center 1095 is at -4.412858 1.174009 2.222167 ESP Fit Center 1096 is at -4.811460 1.067204 2.222167 ESP Fit Center 1097 is at -5.103257 0.775407 2.222167 ESP Fit Center 1098 is at 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ESP Fit Center 1172 is at -5.134355 -1.434014 0.636494 ESP Fit Center 1173 is at -4.307327 2.323210 0.226742 ESP Fit Center 1174 is at -4.728214 2.300390 0.226742 ESP Fit Center 1175 is at -5.134355 2.187625 0.226742 ESP Fit Center 1176 is at -5.506759 1.990189 0.226742 ESP Fit Center 1177 is at -5.828014 1.717312 0.226742 ESP Fit Center 1178 is at -6.083098 1.381755 0.226742 ESP Fit Center 1179 is at -6.260083 0.999208 0.226742 ESP Fit Center 1180 is at -6.350694 0.587558 0.226742 ESP Fit Center 1181 is at -6.350694 0.166053 0.226742 ESP Fit Center 1182 is at -6.260083 -0.245597 0.226742 ESP Fit Center 1183 is at -6.083098 -0.628145 0.226742 ESP Fit Center 1184 is at -5.828014 -0.963702 0.226742 ESP Fit Center 1185 is at -5.506759 -1.236578 0.226742 ESP Fit Center 1186 is at -5.134355 -1.434014 0.226742 ESP Fit Center 1187 is at -4.412858 2.240876 -0.174055 ESP Fit Center 1188 is at -4.827653 2.194140 -0.174055 ESP Fit Center 1189 is at -5.221648 2.056275 -0.174055 ESP Fit Center 1190 is at -5.575087 1.834195 -0.174055 ESP Fit Center 1191 is at -5.870247 1.539035 -0.174055 ESP Fit Center 1192 is at -6.092328 1.185595 -0.174055 ESP Fit Center 1193 is at -6.230193 0.791600 -0.174055 ESP Fit Center 1194 is at -6.276929 0.376805 -0.174055 ESP Fit Center 1195 is at -6.230193 -0.037989 -0.174055 ESP Fit Center 1196 is at -6.092328 -0.431985 -0.174055 ESP Fit Center 1197 is at -5.870247 -0.785424 -0.174055 ESP Fit Center 1198 is at -5.575087 -1.080584 -0.174055 ESP Fit Center 1199 is at -5.221648 -1.302664 -0.174055 ESP Fit Center 1200 is at -4.827653 -1.440529 -0.174055 ESP Fit Center 1201 is at -4.306277 2.070866 -0.548382 ESP Fit Center 1202 is at -4.730921 2.044149 -0.548382 ESP Fit Center 1203 is at -5.135580 1.912668 -0.548382 ESP Fit Center 1204 is at -5.494828 1.684682 -0.548382 ESP Fit Center 1205 is at -5.786091 1.374518 -0.548382 ESP Fit Center 1206 is at -5.991070 1.001664 -0.548382 ESP Fit Center 1207 is at -6.096883 0.589547 -0.548382 ESP Fit Center 1208 is 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1262 is at -0.869439 -3.019501 -1.795616 ESP Fit Center 1263 is at -0.611553 -2.683417 -1.795616 ESP Fit Center 1264 is at -0.561977 -1.872040 -2.200800 ESP Fit Center 1265 is at -0.626615 -1.443194 -2.200800 ESP Fit Center 1266 is at -1.485357 -0.517690 -2.200800 ESP Fit Center 1267 is at -1.908173 -0.421185 -2.200800 ESP Fit Center 1268 is at -2.340651 -0.453595 -2.200800 ESP Fit Center 1269 is at -2.744361 -0.612040 -2.200800 ESP Fit Center 1270 is at -3.083434 -0.882441 -2.200800 ESP Fit Center 1271 is at -3.327740 -1.240772 -2.200800 ESP Fit Center 1272 is at -3.455572 -1.655195 -2.200800 ESP Fit Center 1273 is at -3.455572 -2.088885 -2.200800 ESP Fit Center 1274 is at -3.327740 -2.503307 -2.200800 ESP Fit Center 1275 is at -3.083434 -2.861638 -2.200800 ESP Fit Center 1276 is at -2.744361 -3.132040 -2.200800 ESP Fit Center 1277 is at -2.340651 -3.290484 -2.200800 ESP Fit Center 1278 is at -1.908173 -3.322894 -2.200800 ESP Fit Center 1279 is at -1.485357 -3.226389 -2.200800 ESP Fit Center 1280 is at -1.109771 -3.009544 -2.200800 ESP Fit Center 1281 is at -0.814786 -2.691627 -2.200800 ESP Fit Center 1282 is at -0.626615 -2.300886 -2.200800 ESP Fit Center 1283 is at -0.828961 -1.872040 -2.548740 ESP Fit Center 1284 is at -0.909179 -1.442906 -2.548740 ESP Fit Center 1285 is at -1.139002 -1.071730 -2.548740 ESP Fit Center 1286 is at -1.487390 -0.808640 -2.548740 ESP Fit Center 1287 is at -1.907291 -0.689168 -2.548740 ESP Fit Center 1288 is at -2.341995 -0.729449 -2.548740 ESP Fit Center 1289 is at -2.732793 -0.924044 -2.548740 ESP Fit Center 1290 is at -3.026906 -1.246670 -2.548740 ESP Fit Center 1291 is at -3.184612 -1.653756 -2.548740 ESP Fit Center 1292 is at -3.184612 -2.090323 -2.548740 ESP Fit Center 1293 is at -3.026906 -2.497409 -2.548740 ESP Fit Center 1294 is at -2.732793 -2.820036 -2.548740 ESP Fit Center 1295 is at -2.341995 -3.014630 -2.548740 ESP Fit Center 1296 is at -1.907291 -3.054911 -2.548740 ESP Fit Center 1297 is at -1.487390 -2.935439 -2.548740 ESP Fit Center 1298 is at -1.139002 -2.672349 -2.548740 ESP Fit Center 1299 is at -0.909179 -2.301173 -2.548740 ESP Fit Center 1300 is at -1.176900 -1.872040 -2.815723 ESP Fit Center 1301 is at -1.289439 -1.452040 -2.815723 ESP Fit Center 1302 is at -1.596900 -1.144578 -2.815723 ESP Fit Center 1303 is at -2.016900 -1.032040 -2.815723 ESP Fit Center 1304 is at -2.436900 -1.144578 -2.815723 ESP Fit Center 1305 is at -2.744361 -1.452040 -2.815723 ESP Fit Center 1306 is at -2.856900 -1.872040 -2.815723 ESP Fit Center 1307 is at -2.744361 -2.292040 -2.815723 ESP Fit Center 1308 is at -2.436900 -2.599501 -2.815723 ESP Fit Center 1309 is at -2.016900 -2.712040 -2.815723 ESP Fit Center 1310 is at -1.596900 -2.599501 -2.815723 ESP Fit Center 1311 is at -1.289439 -2.292040 -2.815723 ESP Fit Center 1312 is at -1.582084 -1.872040 -2.983556 ESP Fit Center 1313 is at -1.799492 -1.495478 -2.983556 ESP Fit Center 1314 is at -2.234308 -1.495478 -2.983556 ESP Fit Center 1315 is at -2.451716 -1.872040 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ESP Fit Center 1352 is at -3.863101 -2.325432 1.659219 ESP Fit Center 1353 is at -3.514333 -2.549572 1.659219 ESP Fit Center 1354 is at -3.116545 -2.666373 1.659219 ESP Fit Center 1355 is at -2.701964 -2.666373 1.659219 ESP Fit Center 1356 is at -2.304176 -2.549572 1.659219 ESP Fit Center 1357 is at -4.593280 -1.437376 1.327723 ESP Fit Center 1358 is at -4.487466 -1.849493 1.327723 ESP Fit Center 1359 is at -4.282488 -2.222347 1.327723 ESP Fit Center 1360 is at -3.991224 -2.532511 1.327723 ESP Fit Center 1361 is at -3.631976 -2.760497 1.327723 ESP Fit Center 1362 is at -3.227317 -2.891979 1.327723 ESP Fit Center 1363 is at -2.802673 -2.918695 1.327723 ESP Fit Center 1364 is at -4.726589 -1.639429 0.953397 ESP Fit Center 1365 is at -4.588724 -2.033425 0.953397 ESP Fit Center 1366 is at -4.366644 -2.386864 0.953397 ESP Fit Center 1367 is at -4.071484 -2.682024 0.953397 ESP Fit Center 1368 is at -3.718044 -2.904104 0.953397 ESP Fit Center 1369 is at -3.324049 -3.041969 0.953397 ESP Fit Center 1370 is at -4.756480 -1.847037 0.552599 ESP Fit Center 1371 is at -4.579494 -2.229585 0.552599 ESP Fit Center 1372 is at -4.324411 -2.565142 0.552599 ESP Fit Center 1373 is at -4.003156 -2.838018 0.552599 ESP Fit Center 1374 is at -3.630751 -3.035455 0.552599 ESP Fit Center 1375 is at -3.224610 -3.148219 0.552599 ESP Fit Center 1376 is at -4.756480 -1.847037 0.142848 ESP Fit Center 1377 is at -4.579494 -2.229585 0.142848 ESP Fit Center 1378 is at -4.324411 -2.565142 0.142848 ESP Fit Center 1379 is at -4.003156 -2.838018 0.142848 ESP Fit Center 1380 is at -3.630751 -3.035455 0.142848 ESP Fit Center 1381 is at -3.224610 -3.148219 0.142848 ESP Fit Center 1382 is at -4.726589 -1.639429 -0.257950 ESP Fit Center 1383 is at -4.588724 -2.033425 -0.257950 ESP Fit Center 1384 is at -4.366644 -2.386864 -0.257950 ESP Fit Center 1385 is at -4.071484 -2.682024 -0.257950 ESP Fit Center 1386 is at -3.718044 -2.904104 -0.257950 ESP Fit Center 1387 is at -4.593280 -1.437376 -0.632277 ESP Fit Center 1388 is at -4.487466 -1.849493 -0.632277 ESP Fit Center 1389 is at -4.282488 -2.222347 -0.632277 ESP Fit Center 1390 is at -3.991224 -2.532511 -0.632277 ESP Fit Center 1391 is at -3.631976 -2.760497 -0.632277 ESP Fit Center 1392 is at -4.306817 -1.634996 -0.963773 ESP Fit Center 1393 is at -4.134594 -2.012113 -0.963773 ESP Fit Center 1394 is at -3.863101 -2.325432 -0.963773 ESP Fit Center 1395 is at -4.041698 -1.436325 -1.237950 ESP Fit Center 1396 is at -3.888755 -1.831116 -1.237950 ESP Fit Center 1397 is at -3.706458 -1.224635 -1.442826 ESP Fit Center 1398 is at -1.520966 -2.652051 1.811820 ESP Fit Center 1399 is at -1.086150 -2.652051 1.754576 ESP Fit Center 1400 is at -1.303558 -2.275489 1.754576 ESP Fit Center 1401 is at -1.738374 -2.275489 1.754576 ESP Fit Center 1402 is at -1.955782 -2.652051 1.754576 ESP Fit Center 1403 is at -1.738374 -3.028613 1.754576 ESP Fit Center 1404 is at -1.303558 -3.028613 1.754576 ESP Fit Center 1405 is at -0.680966 -2.652051 1.586743 ESP Fit Center 1406 is at -0.793505 -2.232051 1.586743 ESP Fit Center 1407 is at -2.360966 -2.652051 1.586743 ESP Fit Center 1408 is at -2.248427 -3.072051 1.586743 ESP Fit Center 1409 is at -1.940966 -3.379512 1.586743 ESP Fit Center 1410 is at -1.520966 -3.492051 1.586743 ESP Fit Center 1411 is at -1.100966 -3.379512 1.586743 ESP Fit Center 1412 is at -0.793505 -3.072051 1.586743 ESP Fit Center 1413 is at -0.333027 -2.652051 1.319760 ESP Fit Center 1414 is at -0.413246 -2.222918 1.319760 ESP Fit Center 1415 is at -2.530972 -3.277421 1.319760 ESP Fit Center 1416 is at -2.236859 -3.600047 1.319760 ESP Fit Center 1417 is at -1.846061 -3.794642 1.319760 ESP Fit Center 1418 is at -1.411357 -3.834923 1.319760 ESP Fit Center 1419 is at -0.991456 -3.715451 1.319760 ESP Fit Center 1420 is at -0.643068 -3.452361 1.319760 ESP Fit Center 1421 is at -0.413246 -3.081184 1.319760 ESP Fit Center 1422 is at -0.066043 -2.652051 0.971820 ESP Fit Center 1423 is at -2.831806 -3.283318 0.971820 ESP Fit Center 1424 is at -2.587500 -3.641650 0.971820 ESP Fit Center 1425 is at -2.248427 -3.912051 0.971820 ESP Fit Center 1426 is at -1.844717 -4.070496 0.971820 ESP Fit Center 1427 is at -1.412240 -4.102905 0.971820 ESP Fit Center 1428 is at -0.989423 -4.006400 0.971820 ESP Fit Center 1429 is at -0.613837 -3.789555 0.971820 ESP Fit Center 1430 is at -0.318853 -3.471638 0.971820 ESP Fit Center 1431 is at -0.130682 -3.080897 0.971820 ESP Fit Center 1432 is at -2.926313 -3.463429 0.566636 ESP Fit Center 1433 is at -2.668427 -3.799512 0.566636 ESP Fit Center 1434 is at -2.332344 -4.057398 0.566636 ESP Fit Center 1435 is at -1.940966 -4.219512 0.566636 ESP Fit Center 1436 is at -1.520966 -4.274806 0.566636 ESP Fit Center 1437 is at -1.100966 -4.219512 0.566636 ESP Fit Center 1438 is at -0.709588 -4.057398 0.566636 ESP Fit Center 1439 is at -0.373505 -3.799512 0.566636 ESP Fit Center 1440 is at -0.115619 -3.463429 0.566636 ESP Fit Center 1441 is at 0.046495 -3.072051 0.566636 ESP Fit Center 1442 is at -3.082991 -3.270500 0.131820 ESP Fit Center 1443 is at -2.880115 -3.639530 0.131820 ESP Fit Center 1444 is at -2.591838 -3.946513 0.131820 ESP Fit Center 1445 is at -2.236275 -4.172160 0.131820 ESP Fit Center 1446 is at -1.835767 -4.302294 0.131820 ESP Fit Center 1447 is at -1.415478 -4.328736 0.131820 ESP Fit Center 1448 is at -1.001818 -4.249826 0.131820 ESP Fit Center 1449 is at -0.620777 -4.070522 0.131820 ESP Fit Center 1450 is at -0.296299 -3.802090 0.131820 ESP Fit Center 1451 is at -0.048771 -3.461397 0.131820 ESP Fit Center 1452 is at -2.926313 -3.463429 -0.302996 ESP Fit Center 1453 is at -2.668427 -3.799512 -0.302996 ESP Fit Center 1454 is at -2.332344 -4.057398 -0.302996 ESP Fit Center 1455 is at -1.940966 -4.219512 -0.302996 ESP Fit Center 1456 is at -1.520966 -4.274806 -0.302996 ESP Fit Center 1457 is at -1.100966 -4.219512 -0.302996 ESP Fit Center 1458 is at -0.709588 -4.057398 -0.302996 ESP Fit Center 1459 is at -0.373505 -3.799512 -0.302996 ESP Fit Center 1460 is at -0.115619 -3.463429 -0.302996 ESP Fit Center 1461 is at -2.587500 -3.641650 -0.708180 ESP Fit Center 1462 is at -2.248427 -3.912051 -0.708180 ESP Fit Center 1463 is at -1.844717 -4.070496 -0.708180 ESP Fit Center 1464 is at -1.412240 -4.102905 -0.708180 ESP Fit Center 1465 is at -0.989423 -4.006400 -0.708180 ESP Fit Center 1466 is at -0.613837 -3.789555 -0.708180 ESP Fit Center 1467 is at -0.318853 -3.471638 -0.708180 ESP Fit Center 1468 is at -0.130682 -3.080897 -0.708180 ESP Fit Center 1469 is at -1.846061 -3.794642 -1.056119 ESP Fit Center 1470 is at -1.411357 -3.834923 -1.056119 ESP Fit Center 1471 is at -0.991456 -3.715451 -1.056119 ESP Fit Center 1472 is at -0.643068 -3.452361 -1.056119 ESP Fit Center 1473 is at 5.391462 -0.243276 -0.448299 ESP Fit Center 1474 is at 5.283186 -0.243276 -0.852392 ESP Fit Center 1475 is at 2.617499 0.467599 -2.286806 ESP Fit Center 1476 is at 3.444107 -0.421337 3.814181 ESP Fit Center 1477 is at 3.860863 -0.421337 3.777720 ESP Fit Center 1478 is at 3.652485 -0.060416 3.777720 ESP Fit Center 1479 is at 3.027351 -0.421337 3.777720 ESP Fit Center 1480 is at 3.235729 -0.782258 3.777720 ESP Fit Center 1481 is at 3.652485 -0.782258 3.777720 ESP Fit Center 1482 is at 4.264955 -0.421337 3.669444 ESP Fit Center 1483 is at 4.154983 -0.010912 3.669444 ESP Fit Center 1484 is at 2.623259 -0.421337 3.669444 ESP Fit Center 1485 is at 3.854531 -1.132212 3.669444 ESP Fit Center 1486 is at 4.154983 -0.831761 3.669444 ESP Fit Center 1487 is at 4.644107 -0.421337 3.492642 ESP Fit Center 1488 is at 4.571738 -0.010912 3.492642 ESP Fit Center 1489 is at 2.244107 -0.421337 3.492642 ESP Fit Center 1490 is at 4.044107 -1.460567 3.492642 ESP Fit Center 1491 is at 4.363360 -1.192682 3.492642 ESP Fit Center 1492 is at 4.571738 -0.831761 3.492642 ESP Fit Center 1493 is at 4.929590 -0.005124 3.252688 ESP Fit Center 1494 is at 4.762212 0.380220 3.252688 ESP Fit Center 1495 is at 1.915785 -0.211274 3.252688 ESP Fit Center 1496 is at 4.153845 -1.791069 3.252688 ESP Fit Center 1497 is at 4.497075 -1.548790 3.252688 ESP Fit Center 1498 is at 4.852485 0.760433 2.956872 ESP Fit Center 1499 is at 1.618032 -0.207899 2.956872 ESP Fit Center 1500 is at 4.541987 -1.896045 2.956872 ESP Fit Center 1501 is at 1.376310 -0.211062 2.614181 ESP Fit Center 1502 is at 4.543538 -2.185211 2.614181 ESP Fit Center 1503 is at 5.076317 1.134973 2.235030 ESP Fit Center 1504 is at 1.280199 0.214044 2.235030 ESP Fit Center 1505 is at 1.199057 -0.206960 2.235030 ESP Fit Center 1506 is at 4.380977 -2.472795 2.235030 ESP Fit Center 1507 is at 4.917749 1.426552 1.830937 ESP Fit Center 1508 is at 4.564114 -2.502658 1.830937 ESP Fit Center 1509 is at 4.986797 1.417170 1.414181 ESP Fit Center 1510 is at 4.644107 1.657124 1.414181 ESP Fit Center 1511 is at 4.264955 -2.676599 1.414181 ESP Fit Center 1512 is at 5.224021 1.133727 0.997426 ESP Fit Center 1513 is at 4.917749 1.426552 0.997426 ESP Fit Center 1514 is at 4.564114 1.659985 0.997426 ESP Fit Center 1515 is at 4.174481 1.826522 0.997426 ESP Fit Center 1516 is at 4.174481 -2.669195 0.997426 ESP Fit Center 1517 is at 4.564114 -2.502658 0.997426 ESP Fit Center 1518 is at 5.076317 1.134973 0.593333 ESP Fit Center 1519 is at 3.533207 -2.909082 0.935727 ESP Fit Center 1520 is at 3.945336 -2.788070 0.935727 ESP Fit Center 1521 is at 2.805765 -3.127826 0.630249 ESP Fit Center 1522 is at 3.214505 -3.199898 0.630249 ESP Fit Center 1523 is at 3.628849 -3.175765 0.630249 ESP Fit Center 1524 is at 4.026458 -3.056729 0.630249 ESP Fit Center 1525 is at 4.385898 -2.849206 0.630249 ESP Fit Center 1526 is at 4.687792 -2.564384 0.630249 ESP Fit Center 1527 is at 2.698812 -3.322390 0.278801 ESP Fit Center 1528 is at 3.108845 -3.409545 0.278801 ESP Fit Center 1529 is at 3.528039 -3.409545 0.278801 ESP Fit Center 1530 is at 3.938073 -3.322390 0.278801 ESP Fit Center 1531 is at 4.321025 -3.151888 0.278801 ESP Fit Center 1532 is at 4.660160 -2.905492 0.278801 ESP Fit Center 1533 is at 4.940656 -2.593971 0.278801 ESP Fit Center 1534 is at 5.150252 -2.230938 0.278801 ESP Fit Center 1535 is at 5.472932 -1.415364 -0.106648 ESP Fit Center 1536 is at 2.493955 -3.405853 -0.106648 ESP Fit Center 1537 is at 2.898122 -3.528455 -0.106648 ESP Fit Center 1538 is at 3.318442 -3.569853 -0.106648 ESP Fit Center 1539 is at 3.738762 -3.528455 -0.106648 ESP Fit Center 1540 is at 4.142930 -3.405853 -0.106648 ESP Fit Center 1541 is at 4.515413 -3.206756 -0.106648 ESP Fit Center 1542 is at 4.841896 -2.938818 -0.106648 ESP Fit Center 1543 is at 5.109835 -2.612334 -0.106648 ESP Fit Center 1544 is at 5.308931 -2.239851 -0.106648 ESP Fit Center 1545 is at 5.431534 -1.835684 -0.106648 ESP Fit Center 1546 is at 5.548887 -1.415364 -0.512972 ESP Fit Center 1547 is at 5.508580 -0.993249 -0.512972 ESP Fit Center 1548 is at 5.389116 -0.586391 -0.512972 ESP Fit Center 1549 is at 2.588935 -3.523136 -0.512972 ESP Fit Center 1550 is at 3.001017 -3.623106 -0.512972 ESP Fit Center 1551 is at 3.424571 -3.643282 -0.512972 ESP Fit Center 1552 is at 3.844290 -3.582936 -0.512972 ESP Fit Center 1553 is at 4.245003 -3.444248 -0.512972 ESP Fit Center 1554 is at 4.612227 -3.232230 -0.512972 ESP Fit Center 1555 is at 4.932691 -2.954547 -0.512972 ESP Fit Center 1556 is at 5.194812 -2.621233 -0.512972 ESP Fit Center 1557 is at 5.389116 -2.244336 -0.512972 ESP Fit Center 1558 is at 5.508580 -1.837478 -0.512972 ESP Fit Center 1559 is at 5.548887 -1.415364 -0.926334 ESP Fit Center 1560 is at 5.508580 -0.993249 -0.926334 ESP Fit Center 1561 is at 5.389116 -0.586391 -0.926334 ESP Fit Center 1562 is at 2.203220 -3.346985 -0.926334 ESP Fit Center 1563 is at 2.588935 -3.523136 -0.926334 ESP Fit Center 1564 is at 3.001017 -3.623106 -0.926334 ESP Fit Center 1565 is at 3.424571 -3.643282 -0.926334 ESP Fit Center 1566 is at 3.844290 -3.582936 -0.926334 ESP Fit Center 1567 is at 4.245003 -3.444248 -0.926334 ESP Fit Center 1568 is at 4.612227 -3.232230 -0.926334 ESP Fit Center 1569 is at 4.932691 -2.954547 -0.926334 ESP Fit Center 1570 is at 5.194812 -2.621233 -0.926334 ESP Fit Center 1571 is at 5.389116 -2.244336 -0.926334 ESP Fit Center 1572 is at 5.508580 -1.837478 -0.926334 ESP Fit Center 1573 is at 5.472932 -1.415364 -1.332658 ESP Fit Center 1574 is at 5.431534 -0.995044 -1.332658 ESP Fit Center 1575 is at 5.308931 -0.590876 -1.332658 ESP Fit Center 1576 is at 5.109835 -0.218394 -1.332658 ESP Fit Center 1577 is at 2.121472 -3.206756 -1.332658 ESP Fit Center 1578 is at 2.493955 -3.405853 -1.332658 ESP Fit Center 1579 is at 2.898122 -3.528455 -1.332658 ESP Fit Center 1580 is at 3.318442 -3.569853 -1.332658 ESP Fit Center 1581 is at 3.738762 -3.528455 -1.332658 ESP Fit Center 1582 is at 4.142930 -3.405853 -1.332658 ESP Fit Center 1583 is at 4.515413 -3.206756 -1.332658 ESP Fit Center 1584 is at 4.841896 -2.938818 -1.332658 ESP Fit Center 1585 is at 5.109835 -2.612334 -1.332658 ESP Fit Center 1586 is at 5.308931 -2.239851 -1.332658 ESP Fit Center 1587 is at 5.431534 -1.835684 -1.332658 ESP Fit Center 1588 is at 5.323608 -1.415364 -1.718107 ESP Fit Center 1589 is at 5.279790 -0.998466 -1.718107 ESP Fit Center 1590 is at 1.976725 -2.905492 -1.718107 ESP Fit Center 1591 is at 2.315859 -3.151888 -1.718107 ESP Fit Center 1592 is at 2.698812 -3.322390 -1.718107 ESP Fit Center 1593 is at 3.108845 -3.409545 -1.718107 ESP Fit Center 1594 is at 3.528039 -3.409545 -1.718107 ESP Fit Center 1595 is at 3.938073 -3.322390 -1.718107 ESP Fit Center 1596 is at 4.321025 -3.151888 -1.718107 ESP Fit Center 1597 is at 4.660160 -2.905492 -1.718107 ESP Fit Center 1598 is at 4.940656 -2.593971 -1.718107 ESP Fit Center 1599 is at 5.150252 -2.230938 -1.718107 ESP Fit Center 1600 is at 5.279790 -1.832261 -1.718107 ESP Fit Center 1601 is at 1.824959 -2.397643 -2.069554 ESP Fit Center 1602 is at 2.091745 -2.715587 -2.069554 ESP Fit Center 1603 is at 2.424663 -2.963435 -2.069554 ESP Fit Center 1604 is at 2.805765 -3.127826 -2.069554 ESP Fit Center 1605 is at 3.214505 -3.199898 -2.069554 ESP Fit Center 1606 is at 3.628849 -3.175765 -2.069554 ESP Fit Center 1607 is at 4.026458 -3.056729 -2.069554 ESP Fit Center 1608 is at 4.385898 -2.849206 -2.069554 ESP Fit Center 1609 is at -1.919144 0.924719 2.139714 ESP Fit Center 1610 is at -2.127522 1.285640 2.139714 ESP Fit Center 1611 is at -2.544277 1.285640 2.139714 ESP Fit Center 1612 is at -1.625024 1.335144 2.031438 ESP Fit Center 1613 is at -1.925475 1.635595 2.031438 ESP Fit Center 1614 is at -2.335900 1.745568 2.031438 ESP Fit Center 1615 is at -2.746324 1.635595 2.031438 ESP Fit Center 1616 is at -1.735900 1.963950 1.854636 ESP Fit Center 1617 is at -2.127522 2.106489 1.854636 ESP Fit Center 1618 is at -2.544277 2.106489 1.854636 ESP Fit Center 1619 is at -2.935900 1.963950 1.854636 ESP Fit Center 1620 is at -1.626162 2.294451 1.614682 ESP Fit Center 1621 is at -2.022030 2.435143 1.614682 ESP Fit Center 1622 is at -2.441177 2.463813 1.614682 ESP Fit Center 1623 is at -3.225539 2.185051 1.614682 ESP Fit Center 1624 is at -4.153195 1.933401 -1.423825 ESP Fit Center 1625 is at -3.871950 1.934995 -1.766515 ESP Fit Center 1626 is at -4.063531 1.553526 -1.766515 ESP Fit Center 1627 is at -4.161975 1.138157 -1.766515 ESP Fit Center 1628 is at -1.626162 2.294451 -2.062331 ESP Fit Center 1629 is at -2.022030 2.435143 -2.062331 ESP Fit Center 1630 is at -2.441177 2.463813 -2.062331 ESP Fit Center 1631 is at -3.225539 2.185051 -2.062331 ESP Fit Center 1632 is at -3.532582 1.898293 -2.062331 ESP Fit Center 1633 is at -3.750873 1.539329 -2.062331 ESP Fit Center 1634 is at -3.864221 1.134782 -2.062331 ESP Fit Center 1635 is at -3.864221 0.714656 -2.062331 ESP Fit Center 1636 is at -1.735900 1.963950 -2.302285 ESP Fit Center 1637 is at -2.127522 2.106489 -2.302285 ESP Fit Center 1638 is at -2.544277 2.106489 -2.302285 ESP Fit Center 1639 is at -2.935900 1.963950 -2.302285 ESP Fit Center 1640 is at -3.255153 1.696064 -2.302285 ESP Fit Center 1641 is at -3.463531 1.335144 -2.302285 ESP Fit Center 1642 is at -3.535900 0.924719 -2.302285 ESP Fit Center 1643 is at -3.463531 0.514295 -2.302285 ESP Fit Center 1644 is at -3.255153 0.153374 -2.302285 ESP Fit Center 1645 is at -2.935900 -0.114511 -2.302285 ESP Fit Center 1646 is at -2.544277 -0.257050 -2.302285 ESP Fit Center 1647 is at -1.625024 1.335144 -2.479087 ESP Fit Center 1648 is at -1.925475 1.635595 -2.479087 ESP Fit Center 1649 is at -2.335900 1.745568 -2.479087 ESP Fit Center 1650 is at -2.746324 1.635595 -2.479087 ESP Fit Center 1651 is at -3.046775 1.335144 -2.479087 ESP Fit Center 1652 is at -3.156748 0.924719 -2.479087 ESP Fit Center 1653 is at -3.046775 0.514295 -2.479087 ESP Fit Center 1654 is at -2.746324 0.213844 -2.479087 ESP Fit Center 1655 is at -2.335900 0.103871 -2.479087 ESP Fit Center 1656 is at -1.925475 0.213844 -2.479087 ESP Fit Center 1657 is at -1.919144 0.924719 -2.587363 ESP Fit Center 1658 is at -2.127522 1.285640 -2.587363 ESP Fit Center 1659 is at -2.544277 1.285640 -2.587363 ESP Fit Center 1660 is at -2.752655 0.924719 -2.587363 ESP Fit Center 1661 is at -2.544277 0.563798 -2.587363 ESP Fit Center 1662 is at -2.127522 0.563798 -2.587363 ESP Fit Center 1663 is at -2.335900 0.924719 -2.623825 ESP Fit Center 1664 is at -0.990643 0.665073 2.187930 ESP Fit Center 1665 is at -0.573887 0.665073 2.151469 ESP Fit Center 1666 is at -0.782265 1.025994 2.151469 ESP Fit Center 1667 is at -1.199021 1.025994 2.151469 ESP Fit Center 1668 is at -1.407399 0.665073 2.151469 ESP Fit Center 1669 is at -1.199021 0.304152 2.151469 ESP Fit Center 1670 is at -0.782265 0.304152 2.151469 ESP Fit Center 1671 is at -0.169795 0.665073 2.043192 ESP Fit Center 1672 is at -0.990643 1.485922 2.043192 ESP Fit Center 1673 is at -1.401067 1.375949 2.043192 ESP Fit Center 1674 is at -1.701518 0.254649 2.043192 ESP Fit Center 1675 is at -1.401067 -0.045802 2.043192 ESP Fit Center 1676 is at -0.279767 0.254649 2.043192 ESP Fit Center 1677 is at 0.136988 0.254649 1.866391 ESP Fit Center 1678 is at 0.136988 0.254649 -2.290531 ESP Fit Center 1679 is at -0.169795 0.665073 -2.467332 ESP Fit Center 1680 is at -0.990643 1.485922 -2.467332 ESP Fit Center 1681 is at -1.401067 1.375949 -2.467332 ESP Fit Center 1682 is at -1.701518 0.254649 -2.467332 ESP Fit Center 1683 is at -1.401067 -0.045802 -2.467332 ESP Fit Center 1684 is at -0.279767 0.254649 -2.467332 ESP Fit Center 1685 is at -0.573887 0.665073 -2.575608 ESP Fit Center 1686 is at -0.782265 1.025994 -2.575608 ESP Fit Center 1687 is at -1.199021 1.025994 -2.575608 ESP Fit Center 1688 is at -1.407399 0.665073 -2.575608 ESP Fit Center 1689 is at -1.199021 0.304152 -2.575608 ESP Fit Center 1690 is at -0.782265 0.304152 -2.575608 ESP Fit Center 1691 is at -0.990643 0.665073 -2.612070 ESP Fit Center 1692 is at -0.168360 1.648649 2.184065 ESP Fit Center 1693 is at 0.248395 1.648649 2.147604 ESP Fit Center 1694 is at 0.040017 2.009570 2.147604 ESP Fit Center 1695 is at -0.376738 2.009570 2.147604 ESP Fit Center 1696 is at -0.585116 1.648649 2.147604 ESP Fit Center 1697 is at -0.376738 1.287728 2.147604 ESP Fit Center 1698 is at 0.040017 1.287728 2.147604 ESP Fit Center 1699 is at 0.242064 2.359524 2.039327 ESP Fit Center 1700 is at -0.168360 2.469497 2.039327 ESP Fit Center 1701 is at -0.578785 2.359524 2.039327 ESP Fit Center 1702 is at -0.879236 2.059073 2.039327 ESP Fit Center 1703 is at -0.989209 1.648649 2.039327 ESP Fit Center 1704 is at -0.168360 0.827800 2.039327 ESP Fit Center 1705 is at 0.242064 0.937773 2.039327 ESP Fit Center 1706 is at 0.431640 2.687879 1.862526 ESP Fit Center 1707 is at 0.040017 2.830418 1.862526 ESP Fit Center 1708 is at -0.376738 2.830418 1.862526 ESP Fit Center 1709 is at -0.768360 2.687879 1.862526 ESP Fit Center 1710 is at -1.087614 2.419994 1.862526 ESP Fit Center 1711 is at -1.295991 2.059073 1.862526 ESP Fit Center 1712 is at 0.541377 3.018381 1.622572 ESP Fit Center 1713 is at 0.145509 3.159072 1.622572 ESP Fit Center 1714 is at -0.273637 3.187743 1.622572 ESP Fit Center 1715 is at -0.684976 3.102266 1.622572 ESP Fit Center 1716 is at -1.057999 2.908980 1.622572 ESP Fit Center 1717 is at -1.365043 2.622222 1.622572 ESP Fit Center 1718 is at -1.583333 2.263258 1.622572 ESP Fit Center 1719 is at 0.559835 3.336795 1.326755 ESP Fit Center 1720 is at 0.150893 3.459224 1.326755 ESP Fit Center 1721 is at -0.275260 3.484045 1.326755 ESP Fit Center 1722 is at -0.695650 3.409919 1.326755 ESP Fit Center 1723 is at -1.087614 3.240842 1.326755 ESP Fit Center 1724 is at -1.430020 2.985930 1.326755 ESP Fit Center 1725 is at -1.704410 2.658925 1.326755 ESP Fit Center 1726 is at 0.553500 3.597730 0.984065 ESP Fit Center 1727 is at 0.146376 3.703142 0.984065 ESP Fit Center 1728 is at -0.273633 3.724442 0.984065 ESP Fit Center 1729 is at -0.689332 3.660759 0.984065 ESP Fit Center 1730 is at -1.083702 3.514700 0.984065 ESP Fit Center 1731 is at -1.440599 3.292245 0.984065 ESP Fit Center 1732 is at 0.363338 3.840339 0.604913 ESP Fit Center 1733 is at -0.061051 3.901357 0.604913 ESP Fit Center 1734 is at -0.489318 3.880956 0.604913 ESP Fit Center 1735 is at -0.905984 3.779874 0.604913 ESP Fit Center 1736 is at -1.295991 3.601763 0.604913 ESP Fit Center 1737 is at -1.645243 3.353062 0.604913 ESP Fit Center 1738 is at 0.148905 3.990797 0.200821 ESP Fit Center 1739 is at -0.274400 4.009807 0.200821 ESP Fit Center 1740 is at -0.694297 3.952929 0.200821 ESP Fit Center 1741 is at -1.097290 3.821988 0.200821 ESP Fit Center 1742 is at -1.470427 3.621195 0.200821 ESP Fit Center 1743 is at 0.248395 4.012187 -0.215935 ESP Fit Center 1744 is at -0.168360 4.048649 -0.215935 ESP Fit Center 1745 is at -0.585116 4.012187 -0.215935 ESP Fit Center 1746 is at -0.989209 3.903911 -0.215935 ESP Fit Center 1747 is at -1.368360 3.727110 -0.215935 ESP Fit Center 1748 is at 0.148905 3.990797 -0.632691 ESP Fit Center 1749 is at -0.274400 4.009807 -0.632691 ESP Fit Center 1750 is at -0.694297 3.952929 -0.632691 ESP Fit Center 1751 is at -1.097290 3.821988 -0.632691 ESP Fit Center 1752 is at -1.470427 3.621195 -0.632691 ESP Fit Center 1753 is at 0.363338 3.840339 -1.036783 ESP Fit Center 1754 is at -0.061051 3.901357 -1.036783 ESP Fit Center 1755 is at -0.489318 3.880956 -1.036783 ESP Fit Center 1756 is at -0.905984 3.779874 -1.036783 ESP Fit Center 1757 is at -1.295991 3.601763 -1.036783 ESP Fit Center 1758 is at -1.645243 3.353062 -1.036783 ESP Fit Center 1759 is at 0.553500 3.597730 -1.415935 ESP Fit Center 1760 is at 0.146376 3.703142 -1.415935 ESP Fit Center 1761 is at -0.273633 3.724442 -1.415935 ESP Fit Center 1762 is at -0.689332 3.660759 -1.415935 ESP Fit Center 1763 is at -1.083702 3.514700 -1.415935 ESP Fit Center 1764 is at -1.440599 3.292245 -1.415935 ESP Fit Center 1765 is at 0.559835 3.336795 -1.758625 ESP Fit Center 1766 is at 0.150893 3.459224 -1.758625 ESP Fit Center 1767 is at -0.275260 3.484045 -1.758625 ESP Fit Center 1768 is at -0.695650 3.409919 -1.758625 ESP Fit Center 1769 is at -1.087614 3.240842 -1.758625 ESP Fit Center 1770 is at -1.430020 2.985930 -1.758625 ESP Fit Center 1771 is at -1.704410 2.658925 -1.758625 ESP Fit Center 1772 is at 0.541377 3.018381 -2.054442 ESP Fit Center 1773 is at 0.145509 3.159072 -2.054442 ESP Fit Center 1774 is at -0.273637 3.187743 -2.054442 ESP Fit Center 1775 is at -0.684976 3.102266 -2.054442 ESP Fit Center 1776 is at -1.057999 2.908980 -2.054442 ESP Fit Center 1777 is at -1.365043 2.622222 -2.054442 ESP Fit Center 1778 is at 0.431640 2.687879 -2.294396 ESP Fit Center 1779 is at 0.040017 2.830418 -2.294396 ESP Fit Center 1780 is at -0.376738 2.830418 -2.294396 ESP Fit Center 1781 is at -0.768360 2.687879 -2.294396 ESP Fit Center 1782 is at -1.087614 2.419994 -2.294396 ESP Fit Center 1783 is at -1.295991 2.059073 -2.294396 ESP Fit Center 1784 is at 0.542515 2.059073 -2.471197 ESP Fit Center 1785 is at 0.242064 2.359524 -2.471197 ESP Fit Center 1786 is at -0.168360 2.469497 -2.471197 ESP Fit Center 1787 is at -0.578785 2.359524 -2.471197 ESP Fit Center 1788 is at -0.879236 2.059073 -2.471197 ESP Fit Center 1789 is at -0.989209 1.648649 -2.471197 ESP Fit Center 1790 is at -0.168360 0.827800 -2.471197 ESP Fit Center 1791 is at 0.242064 0.937773 -2.471197 ESP Fit Center 1792 is at 0.248395 1.648649 -2.579474 ESP Fit Center 1793 is at 0.040017 2.009570 -2.579474 ESP Fit Center 1794 is at -0.376738 2.009570 -2.579474 ESP Fit Center 1795 is at -0.585116 1.648649 -2.579474 ESP Fit Center 1796 is at -0.376738 1.287728 -2.579474 ESP Fit Center 1797 is at 0.040017 1.287728 -2.579474 ESP Fit Center 1798 is at -0.168360 1.648649 -2.615935 ESP Fit Center 1799 is at 1.178044 1.397483 2.225277 ESP Fit Center 1800 is at 1.386422 1.758404 2.188815 ESP Fit Center 1801 is at 0.969666 1.758404 2.188815 ESP Fit Center 1802 is at 0.761288 1.397483 2.188815 ESP Fit Center 1803 is at 0.969666 1.036562 2.188815 ESP Fit Center 1804 is at 1.588468 2.108359 2.080539 ESP Fit Center 1805 is at 1.178044 2.218331 2.080539 ESP Fit Center 1806 is at 0.767620 2.108359 2.080539 ESP Fit Center 1807 is at 0.467168 0.987059 2.080539 ESP Fit Center 1808 is at 0.767620 0.686608 2.080539 ESP Fit Center 1809 is at 0.969666 2.579252 1.903738 ESP Fit Center 1810 is at 2.378044 1.397483 -2.253184 ESP Fit Center 1811 is at 0.969666 2.579252 -2.253184 ESP Fit Center 1812 is at 2.305675 0.987059 -2.253184 ESP Fit Center 1813 is at 1.998892 1.397483 -2.429985 ESP Fit Center 1814 is at 1.888920 1.807907 -2.429985 ESP Fit Center 1815 is at 1.588468 2.108359 -2.429985 ESP Fit Center 1816 is at 1.178044 2.218331 -2.429985 ESP Fit Center 1817 is at 0.767620 2.108359 -2.429985 ESP Fit Center 1818 is at 0.767620 0.686608 -2.429985 ESP Fit Center 1819 is at 1.888920 0.987059 -2.429985 ESP Fit Center 1820 is at 1.594800 1.397483 -2.538262 ESP Fit Center 1821 is at 1.386422 1.758404 -2.538262 ESP Fit Center 1822 is at 0.969666 1.758404 -2.538262 ESP Fit Center 1823 is at 0.761288 1.397483 -2.538262 ESP Fit Center 1824 is at 0.969666 1.036562 -2.538262 ESP Fit Center 1825 is at 1.386422 1.036562 -2.538262 ESP Fit Center 1826 is at 1.178044 1.397483 -2.574723 ESP Fit Center 1827 is at 2.009474 2.257957 2.090734 ESP Fit Center 1828 is at 2.421073 2.257957 2.052594 ESP Fit Center 1829 is at 2.215273 2.614412 2.052594 ESP Fit Center 1830 is at 1.803674 2.614412 2.052594 ESP Fit Center 1831 is at 1.597875 2.257957 2.052594 ESP Fit Center 1832 is at 2.710245 2.662548 1.939472 ESP Fit Center 1833 is at 2.414065 2.958729 1.939472 ESP Fit Center 1834 is at 2.009474 3.067138 1.939472 ESP Fit Center 1835 is at 1.604883 2.958729 1.939472 ESP Fit Center 1836 is at 1.308702 2.662548 1.939472 ESP Fit Center 1837 is at 3.109053 2.683936 1.755220 ESP Fit Center 1838 is at 2.880919 3.052384 1.755220 ESP Fit Center 1839 is at 2.535092 3.313541 1.755220 ESP Fit Center 1840 is at 2.118277 3.432135 1.755220 ESP Fit Center 1841 is at 1.686768 3.392150 1.755220 ESP Fit Center 1842 is at 1.298842 3.198985 1.755220 ESP Fit Center 1843 is at 1.006891 2.878730 1.755220 ESP Fit Center 1844 is at 3.457424 2.683114 1.506114 ESP Fit Center 1845 is at 3.278991 3.073826 1.506114 ESP Fit Center 1846 is at 2.997710 3.398442 1.506114 ESP Fit Center 1847 is at 2.636368 3.630663 1.506114 ESP Fit Center 1848 is at 2.224238 3.751675 1.506114 ESP Fit Center 1849 is at 1.794710 3.751675 1.506114 ESP Fit Center 1850 is at 1.382580 3.630663 1.506114 ESP Fit Center 1851 is at 1.021238 3.398442 1.506114 ESP Fit Center 1852 is at 0.739956 3.073826 1.506114 ESP Fit Center 1853 is at 3.797032 2.257957 1.200635 ESP Fit Center 1854 is at 3.748849 2.670197 1.200635 ESP Fit Center 1855 is at 3.606895 3.060212 1.200635 ESP Fit Center 1856 is at 3.378823 3.406978 1.200635 ESP Fit Center 1857 is at 3.076930 3.691799 1.200635 ESP Fit Center 1858 is at 2.717490 3.899322 1.200635 ESP Fit Center 1859 is at 2.319880 4.018359 1.200635 ESP Fit Center 1860 is at 1.905537 4.042491 1.200635 ESP Fit Center 1861 is at 1.496796 3.970420 1.200635 ESP Fit Center 1862 is at 1.115695 3.806028 1.200635 ESP Fit Center 1863 is at 0.782777 3.558180 1.200635 ESP Fit Center 1864 is at 4.014640 2.257957 0.849188 ESP Fit Center 1865 is at 3.970822 2.674855 0.849188 ESP Fit Center 1866 is at 3.841284 3.073532 0.849188 ESP Fit Center 1867 is at 3.631687 3.436564 0.849188 ESP Fit Center 1868 is at 3.351192 3.748086 0.849188 ESP Fit Center 1869 is at 3.012057 3.994482 0.849188 ESP Fit Center 1870 is at 2.629104 4.164983 0.849188 ESP Fit Center 1871 is at 2.219071 4.252138 0.849188 ESP Fit Center 1872 is at 1.799877 4.252138 0.849188 ESP Fit Center 1873 is at 1.389844 4.164983 0.849188 ESP Fit Center 1874 is at 1.006891 3.994482 0.849188 ESP Fit Center 1875 is at 0.667756 3.748086 0.849188 ESP Fit Center 1876 is at 4.163963 2.257957 0.463739 ESP Fit Center 1877 is at 4.122565 2.678277 0.463739 ESP Fit Center 1878 is at 3.999963 3.082445 0.463739 ESP Fit Center 1879 is at 3.800866 3.454927 0.463739 ESP Fit Center 1880 is at 3.532928 3.781411 0.463739 ESP Fit Center 1881 is at 3.206444 4.049350 0.463739 ESP Fit Center 1882 is at 2.833961 4.248446 0.463739 ESP Fit Center 1883 is at 2.429794 4.371049 0.463739 ESP Fit Center 1884 is at 2.009474 4.412447 0.463739 ESP Fit Center 1885 is at 1.589154 4.371049 0.463739 ESP Fit Center 1886 is at 1.184986 4.248446 0.463739 ESP Fit Center 1887 is at 0.812504 4.049350 0.463739 ESP Fit Center 1888 is at 4.199611 2.680072 0.057415 ESP Fit Center 1889 is at 4.080147 3.086930 0.057415 ESP Fit Center 1890 is at 3.885843 3.463827 0.057415 ESP Fit Center 1891 is at 3.623722 3.797140 0.057415 ESP Fit Center 1892 is at 3.303259 4.074824 0.057415 ESP Fit Center 1893 is at 2.936034 4.286841 0.057415 ESP Fit Center 1894 is at 2.535321 4.425529 0.057415 ESP Fit Center 1895 is at 2.115603 4.485875 0.057415 ESP Fit Center 1896 is at 1.692048 4.465699 0.057415 ESP Fit Center 1897 is at 1.279967 4.365729 0.057415 ESP Fit Center 1898 is at 0.894252 4.189579 0.057415 ESP Fit Center 1899 is at 0.548843 3.943615 0.057415 ESP Fit Center 1900 is at 4.199611 2.680072 -0.355947 ESP Fit Center 1901 is at 4.080147 3.086930 -0.355947 ESP Fit Center 1902 is at 3.885843 3.463827 -0.355947 ESP Fit Center 1903 is at 3.623722 3.797140 -0.355947 ESP Fit Center 1904 is at 3.303259 4.074824 -0.355947 ESP Fit Center 1905 is at 2.936034 4.286841 -0.355947 ESP Fit Center 1906 is at 2.535321 4.425529 -0.355947 ESP Fit Center 1907 is at 2.115603 4.485875 -0.355947 ESP Fit Center 1908 is at 1.692048 4.465699 -0.355947 ESP Fit Center 1909 is at 1.279967 4.365729 -0.355947 ESP Fit Center 1910 is at 0.894252 4.189579 -0.355947 ESP Fit Center 1911 is at 0.548843 3.943615 -0.355947 ESP Fit Center 1912 is at 4.122565 2.678277 -0.762271 ESP Fit Center 1913 is at 3.999963 3.082445 -0.762271 ESP Fit Center 1914 is at 3.800866 3.454927 -0.762271 ESP Fit Center 1915 is at 3.532928 3.781411 -0.762271 ESP Fit Center 1916 is at 3.206444 4.049350 -0.762271 ESP Fit Center 1917 is at 2.833961 4.248446 -0.762271 ESP Fit Center 1918 is at 2.429794 4.371049 -0.762271 ESP Fit Center 1919 is at 2.009474 4.412447 -0.762271 ESP Fit Center 1920 is at 1.589154 4.371049 -0.762271 ESP Fit Center 1921 is at 1.184986 4.248446 -0.762271 ESP Fit Center 1922 is at 0.812504 4.049350 -0.762271 ESP Fit Center 1923 is at 3.970822 2.674855 -1.147720 ESP Fit Center 1924 is at 3.841284 3.073532 -1.147720 ESP Fit Center 1925 is at 3.631687 3.436564 -1.147720 ESP Fit Center 1926 is at 3.351192 3.748086 -1.147720 ESP Fit Center 1927 is at 3.012057 3.994482 -1.147720 ESP Fit Center 1928 is at 2.629104 4.164983 -1.147720 ESP Fit Center 1929 is at 2.219071 4.252138 -1.147720 ESP Fit Center 1930 is at 1.799877 4.252138 -1.147720 ESP Fit Center 1931 is at 1.389844 4.164983 -1.147720 ESP Fit Center 1932 is at 1.006891 3.994482 -1.147720 ESP Fit Center 1933 is at 0.667756 3.748086 -1.147720 ESP Fit Center 1934 is at 3.797032 2.257957 -1.499168 ESP Fit Center 1935 is at 3.748849 2.670197 -1.499168 ESP Fit Center 1936 is at 3.606895 3.060212 -1.499168 ESP Fit Center 1937 is at 3.378823 3.406978 -1.499168 ESP Fit Center 1938 is at 3.076930 3.691799 -1.499168 ESP Fit Center 1939 is at 2.717490 3.899322 -1.499168 ESP Fit Center 1940 is at 2.319880 4.018359 -1.499168 ESP Fit Center 1941 is at 1.905537 4.042491 -1.499168 ESP Fit Center 1942 is at 1.496796 3.970420 -1.499168 ESP Fit Center 1943 is at 1.115695 3.806028 -1.499168 ESP Fit Center 1944 is at 0.782777 3.558180 -1.499168 ESP Fit Center 1945 is at 3.518552 2.257957 -1.804646 ESP Fit Center 1946 is at 3.457424 2.683114 -1.804646 ESP Fit Center 1947 is at 3.278991 3.073826 -1.804646 ESP Fit Center 1948 is at 2.997710 3.398442 -1.804646 ESP Fit Center 1949 is at 2.636368 3.630663 -1.804646 ESP Fit Center 1950 is at 2.224238 3.751675 -1.804646 ESP Fit Center 1951 is at 1.794710 3.751675 -1.804646 ESP Fit Center 1952 is at 1.382580 3.630663 -1.804646 ESP Fit Center 1953 is at 1.021238 3.398442 -1.804646 ESP Fit Center 1954 is at 3.188682 2.257957 -2.053753 ESP Fit Center 1955 is at 3.109053 2.683936 -2.053753 ESP Fit Center 1956 is at 2.880919 3.052384 -2.053753 ESP Fit Center 1957 is at 2.535092 3.313541 -2.053753 ESP Fit Center 1958 is at 2.118277 3.432135 -2.053753 ESP Fit Center 1959 is at 1.686768 3.392150 -2.053753 ESP Fit Center 1960 is at 1.298842 3.198985 -2.053753 ESP Fit Center 1961 is at 3.109053 1.831978 -2.053753 ESP Fit Center 1962 is at 2.818655 2.257957 -2.238004 ESP Fit Center 1963 is at 2.710245 2.662548 -2.238004 ESP Fit Center 1964 is at 2.414065 2.958729 -2.238004 ESP Fit Center 1965 is at 2.009474 3.067138 -2.238004 ESP Fit Center 1966 is at 1.604883 2.958729 -2.238004 ESP Fit Center 1967 is at 1.308702 2.662548 -2.238004 ESP Fit Center 1968 is at 2.414065 1.557186 -2.238004 ESP Fit Center 1969 is at 2.710245 1.853366 -2.238004 ESP Fit Center 1970 is at 2.421073 2.257957 -2.351126 ESP Fit Center 1971 is at 2.215273 2.614412 -2.351126 ESP Fit Center 1972 is at 1.803674 2.614412 -2.351126 ESP Fit Center 1973 is at 2.215273 1.901502 -2.351126 ESP Fit Center 1974 is at 2.009474 2.257957 -2.389266 ESP Fit Center 1975 is at 1.165676 0.050536 2.219895 ESP Fit Center 1976 is at 0.871557 0.460960 2.111619 ESP Fit Center 1977 is at 0.761584 0.050536 2.111619 ESP Fit Center 1978 is at 0.454801 0.460960 1.934817 ESP Fit Center 1979 is at 2.501685 0.821881 -2.222105 ESP Fit Center 1980 is at 2.293308 0.460960 -2.398906 ESP Fit Center 1981 is at 1.992856 0.761412 -2.398906 ESP Fit Center 1982 is at 0.871557 0.460960 -2.398906 ESP Fit Center 1983 is at 0.761584 0.050536 -2.398906 ESP Fit Center 1984 is at 1.582432 -0.770312 -2.398906 ESP Fit Center 1985 is at 1.999188 0.050536 -2.507182 ESP Fit Center 1986 is at 1.790810 0.411457 -2.507182 ESP Fit Center 1987 is at 1.374054 0.411457 -2.507182 ESP Fit Center 1988 is at 1.165676 0.050536 -2.507182 ESP Fit Center 1989 is at 1.374054 -0.310385 -2.507182 ESP Fit Center 1990 is at 1.790810 -0.310385 -2.507182 ESP Fit Center 1991 is at 1.582432 0.050536 -2.543644 ESP Fit Center 1992 is at 0.684674 -0.961935 2.257745 ESP Fit Center 1993 is at 0.893052 -0.601014 2.221284 ESP Fit Center 1994 is at 0.476296 -0.601014 2.221284 ESP Fit Center 1995 is at 0.267919 -0.961935 2.221284 ESP Fit Center 1996 is at 0.476296 -1.322856 2.221284 ESP Fit Center 1997 is at 0.893052 -1.322856 2.221284 ESP Fit Center 1998 is at 0.684674 -0.141086 2.113008 ESP Fit Center 1999 is at 0.274250 -0.251059 2.113008 ESP Fit Center 2000 is at -0.026201 -1.372359 2.113008 ESP Fit Center 2001 is at 0.274250 -1.672810 2.113008 ESP Fit Center 2002 is at 0.684674 -1.782783 2.113008 ESP Fit Center 2003 is at 0.084674 -2.001165 1.936206 ESP Fit Center 2004 is at 0.476296 -2.143704 1.936206 ESP Fit Center 2005 is at 0.893052 -2.143704 1.936206 ESP Fit Center 2006 is at -0.204965 -2.222266 1.696252 ESP Fit Center 2007 is at 0.168059 -2.415552 1.696252 ESP Fit Center 2008 is at 0.579397 -2.501029 1.696252 ESP Fit Center 2009 is at 0.157385 -2.723205 1.400436 ESP Fit Center 2010 is at 0.157385 -2.723205 -1.684945 ESP Fit Center 2011 is at 0.168059 -2.415552 -1.980761 ESP Fit Center 2012 is at 0.579397 -2.501029 -1.980761 ESP Fit Center 2013 is at 0.998544 -2.472358 -1.980761 ESP Fit Center 2014 is at 0.084674 -2.001165 -2.220716 ESP Fit Center 2015 is at 0.476296 -2.143704 -2.220716 ESP Fit Center 2016 is at 0.893052 -2.143704 -2.220716 ESP Fit Center 2017 is at 1.284674 -2.001165 -2.220716 ESP Fit Center 2018 is at 1.505523 -0.961935 -2.397517 ESP Fit Center 2019 is at 0.684674 -0.141086 -2.397517 ESP Fit Center 2020 is at 0.274250 -0.251059 -2.397517 ESP Fit Center 2021 is at 0.274250 -1.672810 -2.397517 ESP Fit Center 2022 is at 0.684674 -1.782783 -2.397517 ESP Fit Center 2023 is at 1.095098 -1.672810 -2.397517 ESP Fit Center 2024 is at 1.395550 -1.372359 -2.397517 ESP Fit Center 2025 is at 1.101430 -0.961935 -2.505793 ESP Fit Center 2026 is at 0.893052 -0.601014 -2.505793 ESP Fit Center 2027 is at 0.476296 -0.601014 -2.505793 ESP Fit Center 2028 is at 0.267919 -0.961935 -2.505793 ESP Fit Center 2029 is at 0.476296 -1.322856 -2.505793 ESP Fit Center 2030 is at 0.893052 -1.322856 -2.505793 ESP Fit Center 2031 is at 0.684674 -0.961935 -2.542255 ESP Fit Center 2032 is at -0.632036 -0.716986 2.204949 ESP Fit Center 2033 is at -0.215281 -0.716986 2.168488 ESP Fit Center 2034 is at -0.423658 -0.356065 2.168488 ESP Fit Center 2035 is at -0.840414 -0.356065 2.168488 ESP Fit Center 2036 is at -1.048792 -0.716986 2.168488 ESP Fit Center 2037 is at -0.840414 -1.077907 2.168488 ESP Fit Center 2038 is at -0.423658 -1.077907 2.168488 ESP Fit Center 2039 is at -0.221612 -0.006111 2.060211 ESP Fit Center 2040 is at -1.342912 -0.306562 2.060211 ESP Fit Center 2041 is at -1.452885 -0.716986 2.060211 ESP Fit Center 2042 is at -1.342912 -1.127410 2.060211 ESP Fit Center 2043 is at -1.042460 -1.427862 2.060211 ESP Fit Center 2044 is at -0.632036 -1.537834 2.060211 ESP Fit Center 2045 is at -0.221612 -1.427862 2.060211 ESP Fit Center 2046 is at -0.423658 -1.898755 1.883410 ESP Fit Center 2047 is at -0.318167 -2.227410 1.643456 ESP Fit Center 2048 is at 0.078839 -0.306562 -2.450313 ESP Fit Center 2049 is at -0.221612 -0.006111 -2.450313 ESP Fit Center 2050 is at -1.342912 -0.306562 -2.450313 ESP Fit Center 2051 is at -0.221612 -1.427862 -2.450313 ESP Fit Center 2052 is at -0.215281 -0.716986 -2.558590 ESP Fit Center 2053 is at -0.423658 -0.356065 -2.558590 ESP Fit Center 2054 is at -0.840414 -0.356065 -2.558590 ESP Fit Center 2055 is at -1.048792 -0.716986 -2.558590 ESP Fit Center 2056 is at -0.423658 -1.077907 -2.558590 ESP Fit Center 2057 is at -0.632036 -0.716986 -2.595051 ESP Fit Center 2058 is at 4.510954 1.739249 0.731312 ESP Fit Center 2059 is at 4.151518 1.970244 0.731312 ESP Fit Center 2060 is at 5.207525 1.018763 0.367268 ESP Fit Center 2061 is at 5.059647 1.408687 0.367268 ESP Fit Center 2062 is at 4.822750 1.751890 0.367268 ESP Fit Center 2063 is at 4.510604 2.028428 0.367268 ESP Fit Center 2064 is at 5.399793 0.604780 -0.038548 ESP Fit Center 2065 is at 5.352862 1.021309 -0.038548 ESP Fit Center 2066 is at 5.214420 1.416951 -0.038548 ESP Fit Center 2067 is at 4.991412 1.771867 -0.038548 ESP Fit Center 2068 is at 4.695018 2.068261 -0.038548 ESP Fit Center 2069 is at 4.340102 2.291269 -0.038548 ESP Fit Center 2070 is at 5.447931 0.604780 -0.465788 ESP Fit Center 2071 is at 5.403043 1.017524 -0.465788 ESP Fit Center 2072 is at 5.270476 1.410968 -0.465788 ESP Fit Center 2073 is at 5.056430 1.766715 -0.465788 ESP Fit Center 2074 is at 4.770913 2.068132 -0.465788 ESP Fit Center 2075 is at 4.427276 2.301124 -0.465788 ESP Fit Center 2076 is at 5.403043 0.192037 -0.465788 ESP Fit Center 2077 is at 5.399793 0.604780 -0.893029 ESP Fit Center 2078 is at 5.352862 1.021309 -0.893029 ESP Fit Center 2079 is at 5.214420 1.416951 -0.893029 ESP Fit Center 2080 is at 4.991412 1.771867 -0.893029 ESP Fit Center 2081 is at 4.695018 2.068261 -0.893029 ESP Fit Center 2082 is at 4.340102 2.291269 -0.893029 ESP Fit Center 2083 is at 5.352862 0.188252 -0.893029 ESP Fit Center 2084 is at 5.257792 0.604780 -1.298845 ESP Fit Center 2085 is at 5.207525 1.018763 -1.298845 ESP Fit Center 2086 is at 5.059647 1.408687 -1.298845 ESP Fit Center 2087 is at 4.822750 1.751890 -1.298845 ESP Fit Center 2088 is at 4.510604 2.028428 -1.298845 ESP Fit Center 2089 is at 4.141348 2.222228 -1.298845 ESP Fit Center 2090 is at 5.207525 0.190798 -1.298845 ESP Fit Center 2091 is at 5.029048 0.604780 -1.662889 ESP Fit Center 2092 is at 4.968242 1.027694 -1.662889 ESP Fit Center 2093 is at 4.790751 1.416345 -1.662889 ESP Fit Center 2094 is at 4.510954 1.739249 -1.662889 ESP Fit Center 2095 is at 4.151518 1.970244 -1.662889 ESP Fit Center 2096 is at 3.741563 2.090618 -1.662889 ESP Fit Center 2097 is at 4.968242 0.181867 -1.662889 ESP Fit Center 2098 is at 4.725032 0.604780 -1.966905 ESP Fit Center 2099 is at 4.652838 1.014213 -1.966905 ESP Fit Center 2100 is at 4.444964 1.374262 -1.966905 ESP Fit Center 2101 is at 4.126482 1.641500 -1.966905 ESP Fit Center 2102 is at 3.735806 1.783694 -1.966905 ESP Fit Center 2103 is at 3.320057 1.783694 -1.966905 ESP Fit Center 2104 is at 4.652838 0.195348 -1.966905 ESP Fit Center 2105 is at 4.360988 0.604780 -2.195649 ESP Fit Center 2106 is at 4.249380 1.021309 -2.195649 ESP Fit Center 2107 is at 3.944460 1.326229 -2.195649 ESP Fit Center 2108 is at 3.527931 1.437837 -2.195649 ESP Fit Center 2109 is at 3.111403 1.326229 -2.195649 ESP Fit Center 2110 is at 2.806483 1.021309 -2.195649 ESP Fit Center 2111 is at 3.955172 0.604780 -2.337650 ESP Fit Center 2112 is at 3.741552 0.974781 -2.337650 ESP Fit Center 2113 is at 3.314311 0.974781 -2.337650 ESP Fit Center 2114 is at 3.100691 0.604780 -2.337650 ESP Fit Center 2115 is at 3.527931 0.604780 -2.385788 ESP Fit Center 2116 is at 4.938076 -0.601943 3.336556 ESP Fit Center 2117 is at 5.343892 -0.601943 3.194555 ESP Fit Center 2118 is at 5.232284 -0.185415 3.194555 ESP Fit Center 2119 is at 4.927364 -1.323392 3.194555 ESP Fit Center 2120 is at 5.232284 -1.018472 3.194555 ESP Fit Center 2121 is at 5.707936 -0.601943 2.965811 ESP Fit Center 2122 is at 5.635742 -0.192511 2.965811 ESP Fit Center 2123 is at 5.427868 0.167538 2.965811 ESP Fit Center 2124 is at 5.109386 0.434776 2.965811 ESP Fit Center 2125 is at 4.718710 -1.780857 2.965811 ESP Fit Center 2126 is at 5.109386 -1.638663 2.965811 ESP Fit Center 2127 is at 5.427868 -1.371425 2.965811 ESP Fit Center 2128 is at 5.635742 -1.011376 2.965811 ESP Fit Center 2129 is at 6.011952 -0.601943 2.661795 ESP Fit Center 2130 is at 5.951146 -0.179030 2.661795 ESP Fit Center 2131 is at 5.773655 0.209621 2.661795 ESP Fit Center 2132 is at 5.493858 0.532525 2.661795 ESP Fit Center 2133 is at 5.134422 0.763520 2.661795 ESP Fit Center 2134 is at 4.724467 -2.087781 2.661795 ESP Fit Center 2135 is at 5.134422 -1.967407 2.661795 ESP Fit Center 2136 is at 5.493858 -1.736412 2.661795 ESP Fit Center 2137 is at 5.773655 -1.413508 2.661795 ESP Fit Center 2138 is at 5.951146 -1.024857 2.661795 ESP Fit Center 2139 is at 6.240696 -0.601943 2.297751 ESP Fit Center 2140 is at 6.190429 -0.187961 2.297751 ESP Fit Center 2141 is at 6.042551 0.201963 2.297751 ESP Fit Center 2142 is at 5.805655 0.545166 2.297751 ESP Fit Center 2143 is at 5.493508 0.821704 2.297751 ESP Fit Center 2144 is at 4.719347 -2.319191 2.297751 ESP Fit Center 2145 is at 5.124253 -2.219391 2.297751 ESP Fit Center 2146 is at 5.493508 -2.025591 2.297751 ESP Fit Center 2147 is at 5.805655 -1.749053 2.297751 ESP Fit Center 2148 is at 6.042551 -1.405850 2.297751 ESP Fit Center 2149 is at 6.190429 -1.015926 2.297751 ESP Fit Center 2150 is at 6.382697 -0.601943 1.891935 ESP Fit Center 2151 is at 6.335766 -0.185415 1.891935 ESP Fit Center 2152 is at 6.197325 0.210227 1.891935 ESP Fit Center 2153 is at 5.974316 0.565143 1.891935 ESP Fit Center 2154 is at 5.677922 0.861537 1.891935 ESP Fit Center 2155 is at 5.323006 1.084546 1.891935 ESP Fit Center 2156 is at 4.927364 -2.426874 1.891935 ESP Fit Center 2157 is at 5.323006 -2.288433 1.891935 ESP Fit Center 2158 is at 5.677922 -2.065424 1.891935 ESP Fit Center 2159 is at 5.974316 -1.769030 1.891935 ESP Fit Center 2160 is at 6.197325 -1.414114 1.891935 ESP Fit Center 2161 is at 6.335766 -1.018472 1.891935 ESP Fit Center 2162 is at 6.430836 -0.601943 1.464695 ESP Fit Center 2163 is at 6.385947 -0.189200 1.464695 ESP Fit Center 2164 is at 6.253380 0.204244 1.464695 ESP Fit Center 2165 is at 6.039334 0.559991 1.464695 ESP Fit Center 2166 is at 5.753817 0.861408 1.464695 ESP Fit Center 2167 is at 5.410180 1.094400 1.464695 ESP Fit Center 2168 is at 4.614782 -2.519128 1.464695 ESP Fit Center 2169 is at 5.024490 -2.451959 1.464695 ESP Fit Center 2170 is at 5.410180 -2.298287 1.464695 ESP Fit Center 2171 is at 5.753817 -2.065295 1.464695 ESP Fit Center 2172 is at 6.039334 -1.763878 1.464695 ESP Fit Center 2173 is at 6.253380 -1.408131 1.464695 ESP Fit Center 2174 is at 6.385947 -1.014687 1.464695 ESP Fit Center 2175 is at 6.382697 -0.601943 1.037454 ESP Fit Center 2176 is at 6.335766 -0.185415 1.037454 ESP Fit Center 2177 is at 6.197325 0.210227 1.037454 ESP Fit Center 2178 is at 5.974316 0.565143 1.037454 ESP Fit Center 2179 is at 5.677922 0.861537 1.037454 ESP Fit Center 2180 is at 5.323006 1.084546 1.037454 ESP Fit Center 2181 is at 4.927364 -2.426874 1.037454 ESP Fit Center 2182 is at 5.323006 -2.288433 1.037454 ESP Fit Center 2183 is at 5.677922 -2.065424 1.037454 ESP Fit Center 2184 is at 5.974316 -1.769030 1.037454 ESP Fit Center 2185 is at 6.197325 -1.414114 1.037454 ESP Fit Center 2186 is at 6.335766 -1.018472 1.037454 ESP Fit Center 2187 is at 6.240696 -0.601943 0.631638 ESP Fit Center 2188 is at 6.190429 -0.187961 0.631638 ESP Fit Center 2189 is at 6.042551 0.201963 0.631638 ESP Fit Center 2190 is at 5.805655 0.545166 0.631638 ESP Fit Center 2191 is at 5.493508 0.821704 0.631638 ESP Fit Center 2192 is at 5.124253 -2.219391 0.631638 ESP Fit Center 2193 is at 5.493508 -2.025591 0.631638 ESP Fit Center 2194 is at 5.805655 -1.749053 0.631638 ESP Fit Center 2195 is at 6.042551 -1.405850 0.631638 ESP Fit Center 2196 is at 6.190429 -1.015926 0.631638 ESP Fit Center 2197 is at 6.011952 -0.601943 0.267594 ESP Fit Center 2198 is at 5.951146 -0.179030 0.267594 ESP Fit Center 2199 is at 5.773655 0.209621 0.267594 ESP Fit Center 2200 is at 5.493858 0.532525 0.267594 ESP Fit Center 2201 is at 5.493858 -1.736412 0.267594 ESP Fit Center 2202 is at 5.773655 -1.413508 0.267594 ESP Fit Center 2203 is at 5.951146 -1.024857 0.267594 ESP Fit Center 2204 is at 5.707936 -0.601943 -0.036422 ESP Fit Center 2205 is at 5.635742 -0.192511 -0.036422 ESP Fit Center 2206 is at 5.427868 0.167538 -0.036422 ESP Fit Center 2207 is at 5.635742 -1.011376 -0.036422 ESP Fit Center 2208 is at 3.209284 0.471729 3.899285 ESP Fit Center 2209 is at 3.636524 0.471729 3.851147 ESP Fit Center 2210 is at 3.422904 0.841730 3.851147 ESP Fit Center 2211 is at 2.995664 0.841730 3.851147 ESP Fit Center 2212 is at 2.782043 0.471729 3.851147 ESP Fit Center 2213 is at 2.995664 0.101728 3.851147 ESP Fit Center 2214 is at 3.422904 0.101728 3.851147 ESP Fit Center 2215 is at 4.042340 0.471729 3.709146 ESP Fit Center 2216 is at 3.930732 0.888257 3.709146 ESP Fit Center 2217 is at 3.625812 1.193177 3.709146 ESP Fit Center 2218 is at 3.209284 1.304786 3.709146 ESP Fit Center 2219 is at 2.792755 1.193177 3.709146 ESP Fit Center 2220 is at 2.487835 0.888257 3.709146 ESP Fit Center 2221 is at 2.376227 0.471729 3.709146 ESP Fit Center 2222 is at 2.487835 0.055200 3.709146 ESP Fit Center 2223 is at 4.406384 0.471729 3.480402 ESP Fit Center 2224 is at 4.334190 0.881161 3.480402 ESP Fit Center 2225 is at 4.126316 1.241210 3.480402 ESP Fit Center 2226 is at 3.807834 1.508448 3.480402 ESP Fit Center 2227 is at 3.417158 1.650643 3.480402 ESP Fit Center 2228 is at 3.001409 1.650643 3.480402 ESP Fit Center 2229 is at 2.610733 1.508448 3.480402 ESP Fit Center 2230 is at 2.292252 1.241210 3.480402 ESP Fit Center 2231 is at 2.084377 0.881161 3.480402 ESP Fit Center 2232 is at 2.012183 0.471729 3.480402 ESP Fit Center 2233 is at 2.084377 0.062296 3.480402 ESP Fit Center 2234 is at 4.649594 0.894642 3.176386 ESP Fit Center 2235 is at 4.472103 1.283294 3.176386 ESP Fit Center 2236 is at 4.192306 1.606197 3.176386 ESP Fit Center 2237 is at 3.832870 1.837192 3.176386 ESP Fit Center 2238 is at 3.422915 1.957566 3.176386 ESP Fit Center 2239 is at 2.995652 1.957566 3.176386 ESP Fit Center 2240 is at 2.585697 1.837192 3.176386 ESP Fit Center 2241 is at 2.226261 1.606197 3.176386 ESP Fit Center 2242 is at 1.946464 1.283294 3.176386 ESP Fit Center 2243 is at 1.768973 0.894642 3.176386 ESP Fit Center 2244 is at 1.708167 0.471729 3.176386 ESP Fit Center 2245 is at 1.768973 0.048815 3.176386 ESP Fit Center 2246 is at 4.740999 1.275635 2.812342 ESP Fit Center 2247 is at 4.504103 1.618838 2.812342 ESP Fit Center 2248 is at 4.191956 1.895376 2.812342 ESP Fit Center 2249 is at 3.822701 2.089176 2.812342 ESP Fit Center 2250 is at 3.417795 2.188976 2.812342 ESP Fit Center 2251 is at 3.000772 2.188976 2.812342 ESP Fit Center 2252 is at 2.595867 2.089176 2.812342 ESP Fit Center 2253 is at 2.226611 1.895376 2.812342 ESP Fit Center 2254 is at 1.914465 1.618838 2.812342 ESP Fit Center 2255 is at 1.677568 1.275635 2.812342 ESP Fit Center 2256 is at 1.529690 0.885711 2.812342 ESP Fit Center 2257 is at 1.479423 0.471729 2.812342 ESP Fit Center 2258 is at 1.529690 0.057746 2.812342 ESP Fit Center 2259 is at 4.895773 1.283899 2.406526 ESP Fit Center 2260 is at 4.672764 1.638815 2.406526 ESP Fit Center 2261 is at 4.376370 1.935209 2.406526 ESP Fit Center 2262 is at 4.021454 2.158218 2.406526 ESP Fit Center 2263 is at 3.625812 2.296659 2.406526 ESP Fit Center 2264 is at 3.209284 2.343590 2.406526 ESP Fit Center 2265 is at 2.792755 2.296659 2.406526 ESP Fit Center 2266 is at 2.397113 2.158218 2.406526 ESP Fit Center 2267 is at 2.042197 1.935209 2.406526 ESP Fit Center 2268 is at 1.745803 1.638815 2.406526 ESP Fit Center 2269 is at 1.522795 1.283899 2.406526 ESP Fit Center 2270 is at 1.384354 0.888257 2.406526 ESP Fit Center 2271 is at 1.337422 0.471729 2.406526 ESP Fit Center 2272 is at 4.737782 1.633663 1.979285 ESP Fit Center 2273 is at 4.452265 1.935080 1.979285 ESP Fit Center 2274 is at 4.108628 2.168072 1.979285 ESP Fit Center 2275 is at 3.722938 2.321745 1.979285 ESP Fit Center 2276 is at 3.313230 2.388913 1.979285 ESP Fit Center 2277 is at 2.898662 2.366436 1.979285 ESP Fit Center 2278 is at 4.672764 1.638815 1.552045 ESP Fit Center 2279 is at 4.376370 1.935209 1.552045 ESP Fit Center 2280 is at 4.021454 2.158218 1.552045 ESP Fit Center 2281 is at 3.625812 2.296659 1.552045 ESP Fit Center 2282 is at 4.191956 1.895376 1.146229 ESP Fit Center 2283 is at -3.307516 0.032695 2.597040 ESP Fit Center 2284 is at -2.890761 0.032695 2.560579 ESP Fit Center 2285 is at -3.099139 0.393616 2.560579 ESP Fit Center 2286 is at -3.515894 0.393616 2.560579 ESP Fit Center 2287 is at -3.724272 0.032695 2.560579 ESP Fit Center 2288 is at -3.515894 -0.328226 2.560579 ESP Fit Center 2289 is at -3.099139 -0.328226 2.560579 ESP Fit Center 2290 is at -2.486668 0.032695 2.452303 ESP Fit Center 2291 is at -2.596641 0.443119 2.452303 ESP Fit Center 2292 is at -2.897092 0.743570 2.452303 ESP Fit Center 2293 is at -3.307516 0.853543 2.452303 ESP Fit Center 2294 is at -3.717940 -0.678181 2.452303 ESP Fit Center 2295 is at -2.596641 -0.377729 2.452303 ESP Fit Center 2296 is at -2.107516 0.032695 2.275501 ESP Fit Center 2297 is at -2.179885 0.443119 2.275501 ESP Fit Center 2298 is at -2.388263 0.804040 2.275501 ESP Fit Center 2299 is at -2.707516 1.071925 2.275501 ESP Fit Center 2300 is at -3.099139 1.214464 2.275501 ESP Fit Center 2301 is at -1.764826 0.032695 2.035547 ESP Fit Center 2302 is at -2.993647 1.543118 2.035547 ESP Fit Center 2303 is at -4.884565 -1.321158 -1.002960 ESP Fit Center 2304 is at -4.843566 -0.977581 -1.345650 ESP Fit Center 2305 is at -4.569176 -1.304587 -1.345650 ESP Fit Center 2306 is at -4.722489 -0.581915 -1.641466 ESP Fit Center 2307 is at -4.504199 -0.940879 -1.641466 ESP Fit Center 2308 is at -4.197155 -1.227637 -1.641466 ESP Fit Center 2309 is at -4.226770 0.804040 -1.881421 ESP Fit Center 2310 is at -4.435147 0.443119 -1.881421 ESP Fit Center 2311 is at -4.507516 0.032695 -1.881421 ESP Fit Center 2312 is at -4.435147 -0.377729 -1.881421 ESP Fit Center 2313 is at -4.226770 -0.738650 -1.881421 ESP Fit Center 2314 is at -3.907516 -1.006536 -1.881421 ESP Fit Center 2315 is at -4.018392 0.443119 -2.058222 ESP Fit Center 2316 is at -4.128365 0.032695 -2.058222 ESP Fit Center 2317 is at -4.018392 -0.377729 -2.058222 ESP Fit Center 2318 is at -3.717940 -0.678181 -2.058222 ESP Fit Center 2319 is at -3.724272 0.032695 -2.166498 ESP Fit Center 2320 is at -3.515894 -0.328226 -2.166498 ESP Fit Center 2321 is at -3.099139 -0.328226 -2.166498 ESP Fit Center 2322 is at -2.197047 2.605225 1.506894 ESP Fit Center 2323 is at -2.613575 2.716834 1.506894 ESP Fit Center 2324 is at -3.030103 2.605225 1.506894 ESP Fit Center 2325 is at -3.335023 2.300305 1.506894 ESP Fit Center 2326 is at -2.015025 2.920496 1.278150 ESP Fit Center 2327 is at -2.405701 3.062691 1.278150 ESP Fit Center 2328 is at -2.821449 3.062691 1.278150 ESP Fit Center 2329 is at -3.212125 2.920496 1.278150 ESP Fit Center 2330 is at -3.530607 2.653258 1.278150 ESP Fit Center 2331 is at -1.989989 3.249240 0.974134 ESP Fit Center 2332 is at -2.399944 3.369614 0.974134 ESP Fit Center 2333 is at -2.827206 3.369614 0.974134 ESP Fit Center 2334 is at -3.237161 3.249240 0.974134 ESP Fit Center 2335 is at -3.596597 3.018245 0.974134 ESP Fit Center 2336 is at -3.876395 2.695342 0.974134 ESP Fit Center 2337 is at -2.000158 3.501224 0.610091 ESP Fit Center 2338 is at -2.405063 3.601024 0.610091 ESP Fit Center 2339 is at -2.822087 3.601024 0.610091 ESP Fit Center 2340 is at -3.226992 3.501224 0.610091 ESP Fit Center 2341 is at -3.596248 3.307424 0.610091 ESP Fit Center 2342 is at -3.908394 3.030886 0.610091 ESP Fit Center 2343 is at -4.145290 2.687683 0.610091 ESP Fit Center 2344 is at -1.801405 3.570266 0.204274 ESP Fit Center 2345 is at -2.197047 3.708707 0.204274 ESP Fit Center 2346 is at -2.613575 3.755638 0.204274 ESP Fit Center 2347 is at -3.030103 3.708707 0.204274 ESP Fit Center 2348 is at -3.425745 3.570266 0.204274 ESP Fit Center 2349 is at -3.780662 3.347257 0.204274 ESP Fit Center 2350 is at -4.077055 3.050863 0.204274 ESP Fit Center 2351 is at -4.300064 2.695947 0.204274 ESP Fit Center 2352 is at -1.714231 3.580120 -0.222966 ESP Fit Center 2353 is at -2.099921 3.733793 -0.222966 ESP Fit Center 2354 is at -2.509628 3.800961 -0.222966 ESP Fit Center 2355 is at -2.924196 3.778484 -0.222966 ESP Fit Center 2356 is at -3.324240 3.667412 -0.222966 ESP Fit Center 2357 is at -3.691054 3.472940 -0.222966 ESP Fit Center 2358 is at -4.007486 3.204160 -0.222966 ESP Fit Center 2359 is at -4.258741 2.873640 -0.222966 ESP Fit Center 2360 is at -1.801405 3.570266 -0.650206 ESP Fit Center 2361 is at -2.197047 3.708707 -0.650206 ESP Fit Center 2362 is at -2.613575 3.755638 -0.650206 ESP Fit Center 2363 is at -3.030103 3.708707 -0.650206 ESP Fit Center 2364 is at -3.425745 3.570266 -0.650206 ESP Fit Center 2365 is at -3.780662 3.347257 -0.650206 ESP Fit Center 2366 is at -4.077055 3.050863 -0.650206 ESP Fit Center 2367 is at -4.300064 2.695947 -0.650206 ESP Fit Center 2368 is at -2.000158 3.501224 -1.056023 ESP Fit Center 2369 is at -2.405063 3.601024 -1.056023 ESP Fit Center 2370 is at -2.822087 3.601024 -1.056023 ESP Fit Center 2371 is at -3.226992 3.501224 -1.056023 ESP Fit Center 2372 is at -3.596248 3.307424 -1.056023 ESP Fit Center 2373 is at -3.908394 3.030886 -1.056023 ESP Fit Center 2374 is at -4.145290 2.687683 -1.056023 ESP Fit Center 2375 is at -4.293169 2.297759 -1.056023 ESP Fit Center 2376 is at -1.989989 3.249240 -1.420067 ESP Fit Center 2377 is at -2.399944 3.369614 -1.420067 ESP Fit Center 2378 is at -2.827206 3.369614 -1.420067 ESP Fit Center 2379 is at -3.237161 3.249240 -1.420067 ESP Fit Center 2380 is at -3.596597 3.018245 -1.420067 ESP Fit Center 2381 is at -3.876395 2.695342 -1.420067 ESP Fit Center 2382 is at -4.053886 2.306690 -1.420067 ESP Fit Center 2383 is at -2.015025 2.920496 -1.724083 ESP Fit Center 2384 is at -2.405701 3.062691 -1.724083 ESP Fit Center 2385 is at -2.821449 3.062691 -1.724083 ESP Fit Center 2386 is at -3.212125 2.920496 -1.724083 ESP Fit Center 2387 is at -3.530607 2.653258 -1.724083 ESP Fit Center 2388 is at -3.738481 2.293209 -1.724083 ESP Fit Center 2389 is at -2.197047 2.605225 -1.952826 ESP Fit Center 2390 is at -2.613575 2.716834 -1.952826 ESP Fit Center 2391 is at -3.030103 2.605225 -1.952826 ESP Fit Center 2392 is at -3.335023 2.300305 -1.952826 ESP Fit Center 2393 is at 1.313396 -2.320744 1.745086 ESP Fit Center 2394 is at 0.683247 -2.672191 1.603085 ESP Fit Center 2395 is at 1.099776 -2.783799 1.603085 ESP Fit Center 2396 is at 1.516304 -2.672191 1.603085 ESP Fit Center 2397 is at 0.501225 -2.987462 1.374341 ESP Fit Center 2398 is at 0.891901 -3.129656 1.374341 ESP Fit Center 2399 is at 1.307650 -3.129656 1.374341 ESP Fit Center 2400 is at 1.698326 -2.987462 1.374341 ESP Fit Center 2401 is at 0.116753 -3.085211 1.070325 ESP Fit Center 2402 is at 0.476189 -3.316206 1.070325 ESP Fit Center 2403 is at 0.886144 -3.436580 1.070325 ESP Fit Center 2404 is at 1.313407 -3.436580 1.070325 ESP Fit Center 2405 is at 1.723362 -3.316206 1.070325 ESP Fit Center 2406 is at 2.082798 -3.085211 1.070325 ESP Fit Center 2407 is at 0.486359 -3.568190 0.706281 ESP Fit Center 2408 is at 0.891264 -3.667990 0.706281 ESP Fit Center 2409 is at 1.308287 -3.667990 0.706281 ESP Fit Center 2410 is at 1.713192 -3.568190 0.706281 ESP Fit Center 2411 is at 2.082448 -3.374390 0.706281 ESP Fit Center 2412 is at 2.394595 -3.097852 0.706281 ESP Fit Center 2413 is at 0.287605 -3.637232 0.300465 ESP Fit Center 2414 is at 0.683247 -3.775673 0.300465 ESP Fit Center 2415 is at 1.099776 -3.822604 0.300465 ESP Fit Center 2416 is at 1.516304 -3.775673 0.300465 ESP Fit Center 2417 is at 1.911946 -3.637232 0.300465 ESP Fit Center 2418 is at 2.266862 -3.414223 0.300465 ESP Fit Center 2419 is at 0.389110 -3.734378 -0.126775 ESP Fit Center 2420 is at 0.789154 -3.845450 -0.126775 ESP Fit Center 2421 is at 1.203722 -3.867927 -0.126775 ESP Fit Center 2422 is at 1.613430 -3.800759 -0.126775 ESP Fit Center 2423 is at 1.999120 -3.647086 -0.126775 ESP Fit Center 2424 is at 2.342757 -3.414094 -0.126775 ESP Fit Center 2425 is at 0.287605 -3.637232 -0.554016 ESP Fit Center 2426 is at 0.683247 -3.775673 -0.554016 ESP Fit Center 2427 is at 1.099776 -3.822604 -0.554016 ESP Fit Center 2428 is at 1.516304 -3.775673 -0.554016 ESP Fit Center 2429 is at 1.911946 -3.637232 -0.554016 ESP Fit Center 2430 is at 2.266862 -3.414223 -0.554016 ESP Fit Center 2431 is at 0.117103 -3.374390 -0.959832 ESP Fit Center 2432 is at 0.486359 -3.568190 -0.959832 ESP Fit Center 2433 is at 0.891264 -3.667990 -0.959832 ESP Fit Center 2434 is at 1.308287 -3.667990 -0.959832 ESP Fit Center 2435 is at 1.713192 -3.568190 -0.959832 ESP Fit Center 2436 is at 2.082448 -3.374390 -0.959832 ESP Fit Center 2437 is at 0.116753 -3.085211 -1.323876 ESP Fit Center 2438 is at 0.476189 -3.316206 -1.323876 ESP Fit Center 2439 is at 0.886144 -3.436580 -1.323876 ESP Fit Center 2440 is at 1.313407 -3.436580 -1.323876 ESP Fit Center 2441 is at 1.723362 -3.316206 -1.323876 ESP Fit Center 2442 is at 0.501225 -2.987462 -1.627892 ESP Fit Center 2443 is at 0.891901 -3.129656 -1.627892 ESP Fit Center 2444 is at 1.307650 -3.129656 -1.627892 ESP Fit Center 2445 is at 1.698326 -2.987462 -1.627892 ESP Fit Center 2446 is at 0.683247 -2.672191 -1.856636 ESP Fit Center 2447 is at 1.099776 -2.783799 -1.856636 ESP Fit Center 2448 is at 1.516304 -2.672191 -1.856636 ESP Fit Center 2449 is at -1.334827 -1.701490 2.040542 ESP Fit Center 2450 is at -1.543205 -2.062411 2.040542 ESP Fit Center 2451 is at -1.040707 -2.111915 1.932265 ESP Fit Center 2452 is at -3.384936 -3.409844 0.093759 ESP Fit Center 2453 is at -3.294273 -3.539997 -0.322997 ESP Fit Center 2454 is at -3.663726 -3.090743 -0.739753 ESP Fit Center 2455 is at -3.384936 -3.409844 -0.739753 ESP Fit Center 2456 is at -3.053649 -3.674036 -0.739753 ESP Fit Center 2457 is at -3.756140 -2.734911 -1.143845 ESP Fit Center 2458 is at -3.524339 -3.095601 -1.143845 ESP Fit Center 2459 is at -3.228466 -3.405904 -1.143845 ESP Fit Center 2460 is at -2.879214 -3.654605 -1.143845 ESP Fit Center 2461 is at -2.489207 -3.832715 -1.143845 ESP Fit Center 2462 is at -0.119373 -3.257800 -1.143845 ESP Fit Center 2463 is at -1.436846 -3.755983 -1.522997 ESP Fit Center 2464 is at -1.029723 -3.650572 -1.522997 ESP Fit Center 2465 is at -0.652152 -3.465364 -1.522997 ESP Fit Center 2466 is at -0.319592 -3.207944 -1.522997 ESP Fit Center 2467 is at -0.045658 -2.888849 -1.522997 ESP Fit Center 2468 is at -0.653703 -3.176199 -1.865687 ESP Fit Center 2469 is at -0.343205 -2.883260 -1.865687 ESP Fit Center 2470 is at -0.108633 -2.526611 -1.865687 ESP Fit Center 2471 is at -0.266100 -2.117703 -2.161504 ESP Fit Center 2472 is at 2.931252 -1.268994 3.776558 ESP Fit Center 2473 is at 3.358492 -1.268994 3.728420 ESP Fit Center 2474 is at 2.717632 -0.898993 3.728420 ESP Fit Center 2475 is at 2.504012 -1.268994 3.728420 ESP Fit Center 2476 is at 2.717632 -1.638995 3.728420 ESP Fit Center 2477 is at 3.144872 -1.638995 3.728420 ESP Fit Center 2478 is at 2.209804 -0.852466 3.586419 ESP Fit Center 2479 is at 2.098195 -1.268994 3.586419 ESP Fit Center 2480 is at 2.209804 -1.685523 3.586419 ESP Fit Center 2481 is at 2.514724 -1.990442 3.586419 ESP Fit Center 2482 is at 2.931252 -2.102051 3.586419 ESP Fit Center 2483 is at 3.347781 -1.990442 3.586419 ESP Fit Center 2484 is at 3.652700 -1.685523 3.586419 ESP Fit Center 2485 is at 2.014220 -0.499513 3.357675 ESP Fit Center 2486 is at 1.806346 -0.859562 3.357675 ESP Fit Center 2487 is at 1.734152 -1.268994 3.357675 ESP Fit Center 2488 is at 1.806346 -1.678427 3.357675 ESP Fit Center 2489 is at 2.014220 -2.038475 3.357675 ESP Fit Center 2490 is at 2.332702 -2.305713 3.357675 ESP Fit Center 2491 is at 2.723378 -2.447908 3.357675 ESP Fit Center 2492 is at 3.139126 -2.447908 3.357675 ESP Fit Center 2493 is at 3.529802 -2.305713 3.357675 ESP Fit Center 2494 is at 3.848284 -2.038475 3.357675 ESP Fit Center 2495 is at 1.668433 -0.457429 3.053659 ESP Fit Center 2496 is at 1.490941 -0.846081 3.053659 ESP Fit Center 2497 is at 1.430136 -1.268994 3.053659 ESP Fit Center 2498 is at 1.490941 -1.691907 3.053659 ESP Fit Center 2499 is at 1.668433 -2.080559 3.053659 ESP Fit Center 2500 is at 1.948230 -2.403462 3.053659 ESP Fit Center 2501 is at 2.307666 -2.634458 3.053659 ESP Fit Center 2502 is at 2.717621 -2.754831 3.053659 ESP Fit Center 2503 is at 3.144883 -2.754831 3.053659 ESP Fit Center 2504 is at 3.554838 -2.634458 3.053659 ESP Fit Center 2505 is at 3.914274 -2.403462 3.053659 ESP Fit Center 2506 is at 4.194072 -2.080559 3.053659 ESP Fit Center 2507 is at 1.399537 -0.465088 2.689615 ESP Fit Center 2508 is at 1.251658 -0.855011 2.689615 ESP Fit Center 2509 is at 1.201392 -1.268994 2.689615 ESP Fit Center 2510 is at 1.251658 -1.682977 2.689615 ESP Fit Center 2511 is at 1.399537 -2.072900 2.689615 ESP Fit Center 2512 is at 1.636433 -2.416104 2.689615 ESP Fit Center 2513 is at 1.948580 -2.692641 2.689615 ESP Fit Center 2514 is at 2.317835 -2.886442 2.689615 ESP Fit Center 2515 is at 2.722741 -2.986242 2.689615 ESP Fit Center 2516 is at 3.139764 -2.986242 2.689615 ESP Fit Center 2517 is at 3.544669 -2.886442 2.689615 ESP Fit Center 2518 is at 3.913925 -2.692641 2.689615 ESP Fit Center 2519 is at 4.226071 -2.416104 2.689615 ESP Fit Center 2520 is at 1.106322 -0.852466 2.283799 ESP Fit Center 2521 is at 1.059391 -1.268994 2.283799 ESP Fit Center 2522 is at 1.106322 -1.685523 2.283799 ESP Fit Center 2523 is at 1.244763 -2.081164 2.283799 ESP Fit Center 2524 is at 1.467772 -2.436081 2.283799 ESP Fit Center 2525 is at 1.764166 -2.732474 2.283799 ESP Fit Center 2526 is at 2.119082 -2.955483 2.283799 ESP Fit Center 2527 is at 2.514724 -3.093924 2.283799 ESP Fit Center 2528 is at 2.931252 -3.140856 2.283799 ESP Fit Center 2529 is at 3.347781 -3.093924 2.283799 ESP Fit Center 2530 is at 3.743422 -2.955483 2.283799 ESP Fit Center 2531 is at 4.098339 -2.732474 2.283799 ESP Fit Center 2532 is at 1.286086 -2.258858 1.856558 ESP Fit Center 2533 is at 1.537341 -2.589377 1.856558 ESP Fit Center 2534 is at 1.853773 -2.858157 1.856558 ESP Fit Center 2535 is at 2.220587 -3.052629 1.856558 ESP Fit Center 2536 is at 2.620631 -3.163701 1.856558 ESP Fit Center 2537 is at 3.035199 -3.186178 1.856558 ESP Fit Center 2538 is at 3.444907 -3.119010 1.856558 ESP Fit Center 2539 is at 3.830596 -2.965337 1.856558 ESP Fit Center 2540 is at 4.174234 -2.732345 1.856558 ESP Fit Center 2541 is at 2.119082 -2.955483 1.429318 ESP Fit Center 2542 is at 2.514724 -3.093924 1.429318 ESP Fit Center 2543 is at 2.931252 -3.140856 1.429318 ESP Fit Center 2544 is at 3.347781 -3.093924 1.429318 ESP Fit Center 2545 is at 3.743422 -2.955483 1.429318 ESP Fit Center 2546 is at 4.098339 -2.732474 1.429318 ESP Fit Center 2547 is at 2.722741 -2.986242 1.023502 ESP Fit Center 2548 is at 3.139764 -2.986242 1.023502 ESP Fit Center 2549 is at 3.544669 -2.886442 1.023502 ESP Fit Center 2550 is at 4.889407 -0.079385 -1.651077 ESP Fit Center 2551 is at 5.232770 -1.241319 -2.078317 ESP Fit Center 2552 is at 5.185838 -0.824791 -2.078317 ESP Fit Center 2553 is at 5.047397 -0.429149 -2.078317 ESP Fit Center 2554 is at 4.824389 -0.074233 -2.078317 ESP Fit Center 2555 is at 4.527995 0.222161 -2.078317 ESP Fit Center 2556 is at 4.824389 -2.408406 -2.078317 ESP Fit Center 2557 is at 5.047397 -2.053490 -2.078317 ESP Fit Center 2558 is at 5.185838 -1.657848 -2.078317 ESP Fit Center 2559 is at 5.090769 -1.241319 -2.484134 ESP Fit Center 2560 is at 5.040502 -0.827337 -2.484134 ESP Fit Center 2561 is at 4.892623 -0.437413 -2.484134 ESP Fit Center 2562 is at 4.655727 -0.094210 -2.484134 ESP Fit Center 2563 is at 4.343581 0.182328 -2.484134 ESP Fit Center 2564 is at 3.974325 0.376128 -2.484134 ESP Fit Center 2565 is at 3.569420 0.475928 -2.484134 ESP Fit Center 2566 is at 3.152397 0.475928 -2.484134 ESP Fit Center 2567 is at 2.747491 0.376128 -2.484134 ESP Fit Center 2568 is at 2.378236 0.182328 -2.484134 ESP Fit Center 2569 is at 1.829193 -0.437413 -2.484134 ESP Fit Center 2570 is at 1.681315 -0.827337 -2.484134 ESP Fit Center 2571 is at 1.631048 -1.241319 -2.484134 ESP Fit Center 2572 is at 1.681315 -1.655302 -2.484134 ESP Fit Center 2573 is at 1.829193 -2.045226 -2.484134 ESP Fit Center 2574 is at 2.066089 -2.388429 -2.484134 ESP Fit Center 2575 is at 2.378236 -2.664966 -2.484134 ESP Fit Center 2576 is at 2.747491 -2.858767 -2.484134 ESP Fit Center 2577 is at 3.152397 -2.958567 -2.484134 ESP Fit Center 2578 is at 3.569420 -2.958567 -2.484134 ESP Fit Center 2579 is at 3.974325 -2.858767 -2.484134 ESP Fit Center 2580 is at 4.343581 -2.664966 -2.484134 ESP Fit Center 2581 is at 4.655727 -2.388429 -2.484134 ESP Fit Center 2582 is at 4.892623 -2.045226 -2.484134 ESP Fit Center 2583 is at 5.040502 -1.655302 -2.484134 ESP Fit Center 2584 is at 4.862025 -1.241319 -2.848177 ESP Fit Center 2585 is at 4.801219 -0.818406 -2.848177 ESP Fit Center 2586 is at 4.623728 -0.429755 -2.848177 ESP Fit Center 2587 is at 4.343931 -0.106851 -2.848177 ESP Fit Center 2588 is at 3.984495 0.124144 -2.848177 ESP Fit Center 2589 is at 3.574539 0.244518 -2.848177 ESP Fit Center 2590 is at 3.147277 0.244518 -2.848177 ESP Fit Center 2591 is at 2.737322 0.124144 -2.848177 ESP Fit Center 2592 is at 2.377886 -0.106851 -2.848177 ESP Fit Center 2593 is at 2.098089 -0.429755 -2.848177 ESP Fit Center 2594 is at 1.920598 -0.818406 -2.848177 ESP Fit Center 2595 is at 1.859792 -1.241319 -2.848177 ESP Fit Center 2596 is at 1.920598 -1.664233 -2.848177 ESP Fit Center 2597 is at 2.098089 -2.052884 -2.848177 ESP Fit Center 2598 is at 2.377886 -2.375788 -2.848177 ESP Fit Center 2599 is at 2.737322 -2.606783 -2.848177 ESP Fit Center 2600 is at 3.147277 -2.727157 -2.848177 ESP Fit Center 2601 is at 3.574539 -2.727157 -2.848177 ESP Fit Center 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Fit Center 2657 is at -4.817449 -0.323966 2.520356 ESP Fit Center 2658 is at -4.412858 -0.432376 2.520356 ESP Fit Center 2659 is at -4.008267 -0.323966 2.520356 ESP Fit Center 2660 is at -3.541413 1.171233 2.336104 ESP Fit Center 2661 is at -3.887240 1.432389 2.336104 ESP Fit Center 2662 is at -4.304055 1.550983 2.336104 ESP Fit Center 2663 is at -4.735564 1.510998 2.336104 ESP Fit Center 2664 is at -5.123490 1.317834 2.336104 ESP Fit Center 2665 is at -5.415441 0.997578 2.336104 ESP Fit Center 2666 is at -5.571988 0.593484 2.336104 ESP Fit Center 2667 is at -5.571988 0.160127 2.336104 ESP Fit Center 2668 is at -5.415441 -0.243968 2.336104 ESP Fit Center 2669 is at -5.123490 -0.564223 2.336104 ESP Fit Center 2670 is at -4.735564 -0.757387 2.336104 ESP Fit Center 2671 is at -4.304055 -0.797372 2.336104 ESP Fit Center 2672 is at -3.424622 1.517291 2.086998 ESP Fit Center 2673 is at -3.785964 1.749511 2.086998 ESP Fit Center 2674 is at -4.198094 1.870523 2.086998 ESP Fit Center 2675 is at 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Center 2712 is at -6.244668 -0.438769 1.430072 ESP Fit Center 2713 is at -6.035071 -0.801801 1.430072 ESP Fit Center 2714 is at -5.754576 -1.113323 1.430072 ESP Fit Center 2715 is at -5.415441 -1.359719 1.430072 ESP Fit Center 2716 is at -5.032488 -1.530221 1.430072 ESP Fit Center 2717 is at -3.992538 2.489897 1.044623 ESP Fit Center 2718 is at -4.412858 2.531295 1.044623 ESP Fit Center 2719 is at -4.833178 2.489897 1.044623 ESP Fit Center 2720 is at -5.237346 2.367294 1.044623 ESP Fit Center 2721 is at -5.609828 2.168198 1.044623 ESP Fit Center 2722 is at -5.936312 1.900260 1.044623 ESP Fit Center 2723 is at -6.204251 1.573776 1.044623 ESP Fit Center 2724 is at -6.403347 1.201293 1.044623 ESP Fit Center 2725 is at -6.525950 0.797125 1.044623 ESP Fit Center 2726 is at -6.567348 0.376805 1.044623 ESP Fit Center 2727 is at -6.525950 -0.043515 1.044623 ESP Fit Center 2728 is at -6.403347 -0.447682 1.044623 ESP Fit Center 2729 is at -6.204251 -0.820165 1.044623 ESP Fit Center 2730 is at 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Center 2767 is at -5.936312 1.900260 -0.181387 ESP Fit Center 2768 is at -6.204251 1.573776 -0.181387 ESP Fit Center 2769 is at -6.403347 1.201293 -0.181387 ESP Fit Center 2770 is at -6.525950 0.797125 -0.181387 ESP Fit Center 2771 is at -6.567348 0.376805 -0.181387 ESP Fit Center 2772 is at -6.525950 -0.043515 -0.181387 ESP Fit Center 2773 is at -6.403347 -0.447682 -0.181387 ESP Fit Center 2774 is at -6.204251 -0.820165 -0.181387 ESP Fit Center 2775 is at -5.936312 -1.146649 -0.181387 ESP Fit Center 2776 is at -5.609828 -1.414587 -0.181387 ESP Fit Center 2777 is at -5.237346 -1.613683 -0.181387 ESP Fit Center 2778 is at -4.622455 2.370987 -0.566836 ESP Fit Center 2779 is at -5.032488 2.283831 -0.566836 ESP Fit Center 2780 is at -5.415441 2.113330 -0.566836 ESP Fit Center 2781 is at -5.754576 1.866934 -0.566836 ESP Fit Center 2782 is at -6.035071 1.555412 -0.566836 ESP Fit Center 2783 is at -6.244668 1.192380 -0.566836 ESP Fit Center 2784 is at -6.374206 0.793703 -0.566836 ESP Fit Center 2785 is at -6.418024 0.376805 -0.566836 ESP Fit Center 2786 is at -6.374206 -0.040092 -0.566836 ESP Fit Center 2787 is at -6.244668 -0.438769 -0.566836 ESP Fit Center 2788 is at -6.035071 -0.801801 -0.566836 ESP Fit Center 2789 is at -5.754576 -1.113323 -0.566836 ESP Fit Center 2790 is at -5.415441 -1.359719 -0.566836 ESP Fit Center 2791 is at -5.032488 -1.530221 -0.566836 ESP Fit Center 2792 is at -4.516795 2.161340 -0.918284 ESP Fit Center 2793 is at -4.925536 2.089268 -0.918284 ESP Fit Center 2794 is at -5.306637 1.924877 -0.918284 ESP Fit Center 2795 is at -5.639555 1.677028 -0.918284 ESP Fit Center 2796 is at -5.906342 1.359085 -0.918284 ESP Fit Center 2797 is at -6.092614 0.988186 -0.918284 ESP Fit Center 2798 is at -6.188330 0.584328 -0.918284 ESP Fit Center 2799 is at -6.188330 0.169283 -0.918284 ESP Fit Center 2800 is at -6.092614 -0.234576 -0.918284 ESP Fit Center 2801 is at -5.906342 -0.605474 -0.918284 ESP Fit Center 2802 is at -5.639555 -0.923418 -0.918284 ESP Fit Center 2803 is at -5.306637 -1.171266 -0.918284 ESP Fit Center 2804 is at -4.627622 1.870523 -1.223762 ESP Fit Center 2805 is at -5.039752 1.749511 -1.223762 ESP Fit Center 2806 is at -5.401094 1.517291 -1.223762 ESP Fit Center 2807 is at -5.682376 1.192675 -1.223762 ESP Fit Center 2808 is at -5.860808 0.801962 -1.223762 ESP Fit Center 2809 is at -5.921936 0.376805 -1.223762 ESP Fit Center 2810 is at -5.860808 -0.048351 -1.223762 ESP Fit Center 2811 is at -5.682376 -0.439064 -1.223762 ESP Fit Center 2812 is at -5.401094 -0.763680 -1.223762 ESP Fit Center 2813 is at -5.039752 -0.995900 -1.223762 ESP Fit Center 2814 is at -4.304055 1.550983 -1.472868 ESP Fit Center 2815 is at -4.735564 1.510998 -1.472868 ESP Fit Center 2816 is at -5.123490 1.317834 -1.472868 ESP Fit Center 2817 is at -5.415441 0.997578 -1.472868 ESP Fit Center 2818 is at -5.571988 0.593484 -1.472868 ESP Fit Center 2819 is at -5.571988 0.160127 -1.472868 ESP Fit Center 2820 is at -5.415441 -0.243968 -1.472868 ESP Fit Center 2821 is at -5.123490 -0.564223 -1.472868 ESP Fit Center 2822 is at -4.412858 1.185987 -1.657120 ESP Fit Center 2823 is at -4.817449 1.077577 -1.657120 ESP Fit Center 2824 is at -5.113630 0.781396 -1.657120 ESP Fit Center 2825 is at -5.222039 0.376805 -1.657120 ESP Fit Center 2826 is at -5.113630 -0.027785 -1.657120 ESP Fit Center 2827 is at -4.817449 -0.323966 -1.657120 ESP Fit Center 2828 is at -4.618658 0.733261 -1.770242 ESP Fit Center 2829 is at -4.824457 0.376805 -1.770242 ESP Fit Center 2830 is at -3.836394 -2.485099 -1.360800 ESP Fit Center 2831 is at -3.662066 -2.861903 -1.360800 ESP Fit Center 2832 is at -3.410811 -3.192423 -1.360800 ESP Fit Center 2833 is at -3.094379 -3.461203 -1.360800 ESP Fit Center 2834 is at -2.727565 -3.655675 -1.360800 ESP Fit Center 2835 is at -3.841830 -1.455511 -1.788041 ESP Fit Center 2836 is at -3.888762 -1.872040 -1.788041 ESP Fit Center 2837 is at -3.841830 -2.288568 -1.788041 ESP Fit Center 2838 is at -3.703389 -2.684210 -1.788041 ESP Fit Center 2839 is at -3.480380 -3.039126 -1.788041 ESP Fit Center 2840 is at -3.183987 -3.335520 -1.788041 ESP Fit Center 2841 is at -2.829070 -3.558529 -1.788041 ESP Fit Center 2842 is at -2.433428 -3.696970 -1.788041 ESP Fit Center 2843 is at -2.016900 -3.743901 -1.788041 ESP Fit Center 2844 is at -1.600372 -3.696970 -1.788041 ESP Fit Center 2845 is at -1.204730 -3.558529 -1.788041 ESP Fit Center 2846 is at -2.999573 -0.448393 -2.193857 ESP Fit Center 2847 is at -3.311719 -0.724930 -2.193857 ESP Fit Center 2848 is at -3.548615 -1.068133 -2.193857 ESP Fit Center 2849 is at -3.696494 -1.458057 -2.193857 ESP Fit Center 2850 is at -3.746760 -1.872040 -2.193857 ESP Fit Center 2851 is at -3.696494 -2.286022 -2.193857 ESP Fit Center 2852 is at -3.548615 -2.675946 -2.193857 ESP Fit Center 2853 is at -3.311719 -3.019149 -2.193857 ESP Fit Center 2854 is at -2.999573 -3.295687 -2.193857 ESP Fit Center 2855 is at -2.630317 -3.489487 -2.193857 ESP Fit Center 2856 is at -2.225412 -3.589287 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2928 is at -2.208483 -0.820044 2.436461 ESP Fit Center 2929 is at -2.504664 -0.523863 2.436461 ESP Fit Center 2930 is at -3.610026 -0.820044 2.436461 ESP Fit Center 2931 is at -3.718436 -1.224635 2.436461 ESP Fit Center 2932 is at -3.610026 -1.629225 2.436461 ESP Fit Center 2933 is at -3.313845 -1.925406 2.436461 ESP Fit Center 2934 is at -2.909255 -2.033816 2.436461 ESP Fit Center 2935 is at -2.504664 -1.925406 2.436461 ESP Fit Center 2936 is at -2.208483 -1.629225 2.436461 ESP Fit Center 2937 is at -1.730046 -1.224635 2.252210 ESP Fit Center 2938 is at -1.809676 -0.798656 2.252210 ESP Fit Center 2939 is at -2.037809 -0.430207 2.252210 ESP Fit Center 2940 is at -4.068384 -1.007956 2.252210 ESP Fit Center 2941 is at -4.068384 -1.441314 2.252210 ESP Fit Center 2942 is at -3.911837 -1.845408 2.252210 ESP Fit Center 2943 is at -3.619886 -2.165663 2.252210 ESP Fit Center 2944 is at -3.231960 -2.358827 2.252210 ESP Fit Center 2945 is at -2.800451 -2.398812 2.252210 ESP Fit Center 2946 is at 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1.861681 ESP Fit Center 3019 is at -1.937494 -3.373499 1.861681 ESP Fit Center 3020 is at -1.520966 -3.485108 1.861681 ESP Fit Center 3021 is at -1.104438 -3.373499 1.861681 ESP Fit Center 3022 is at -0.799518 -3.068579 1.861681 ESP Fit Center 3023 is at -0.323866 -2.652051 1.632937 ESP Fit Center 3024 is at -2.645872 -3.061483 1.632937 ESP Fit Center 3025 is at -2.437998 -3.421532 1.632937 ESP Fit Center 3026 is at -2.119516 -3.688770 1.632937 ESP Fit Center 3027 is at -1.728840 -3.830965 1.632937 ESP Fit Center 3028 is at -1.313092 -3.830965 1.632937 ESP Fit Center 3029 is at -0.922416 -3.688770 1.632937 ESP Fit Center 3030 is at -0.603934 -3.421532 1.632937 ESP Fit Center 3031 is at -0.396060 -3.061483 1.632937 ESP Fit Center 3032 is at -2.783786 -3.463616 1.328921 ESP Fit Center 3033 is at -2.503988 -3.786519 1.328921 ESP Fit Center 3034 is at -2.144552 -4.017515 1.328921 ESP Fit Center 3035 is at -1.734597 -4.137888 1.328921 ESP Fit Center 3036 is at -1.307335 -4.137888 1.328921 ESP Fit Center 3037 is at -0.897380 -4.017515 1.328921 ESP Fit Center 3038 is at -0.537944 -3.786519 1.328921 ESP Fit Center 3039 is at -0.258147 -3.463616 1.328921 ESP Fit Center 3040 is at -0.080655 -3.074964 1.328921 ESP Fit Center 3041 is at -3.052681 -3.455957 0.964877 ESP Fit Center 3042 is at -2.815785 -3.799161 0.964877 ESP Fit Center 3043 is at -2.503639 -4.075698 0.964877 ESP Fit Center 3044 is at -2.134383 -4.269498 0.964877 ESP Fit Center 3045 is at -1.729478 -4.369299 0.964877 ESP Fit Center 3046 is at -1.312454 -4.369299 0.964877 ESP Fit Center 3047 is at -0.907549 -4.269498 0.964877 ESP Fit Center 3048 is at -0.538293 -4.075698 0.964877 ESP Fit Center 3049 is at -0.226147 -3.799161 0.964877 ESP Fit Center 3050 is at 0.010749 -3.455957 0.964877 ESP Fit Center 3051 is at -3.207455 -3.464221 0.559061 ESP Fit Center 3052 is at -2.984446 -3.819138 0.559061 ESP Fit Center 3053 is at -2.688053 -4.115531 0.559061 ESP Fit Center 3054 is at -2.333136 -4.338540 0.559061 ESP Fit Center 3055 is at -1.937494 -4.476981 0.559061 ESP Fit Center 3056 is at -1.520966 -4.523913 0.559061 ESP Fit Center 3057 is at -1.104438 -4.476981 0.559061 ESP Fit Center 3058 is at -0.708796 -4.338540 0.559061 ESP Fit Center 3059 is at -0.353879 -4.115531 0.559061 ESP Fit Center 3060 is at -0.057486 -3.819138 0.559061 ESP Fit Center 3061 is at -3.166132 -3.641914 0.131820 ESP Fit Center 3062 is at -2.914877 -3.972434 0.131820 ESP Fit Center 3063 is at -2.598445 -4.241214 0.131820 ESP Fit Center 3064 is at -2.231631 -4.435686 0.131820 ESP Fit Center 3065 is at -1.831587 -4.546758 0.131820 ESP Fit Center 3066 is at -1.417019 -4.569235 0.131820 ESP Fit Center 3067 is at -1.007312 -4.502067 0.131820 ESP Fit Center 3068 is at -0.621622 -4.348394 0.131820 ESP Fit Center 3069 is at -0.277984 -4.115402 0.131820 ESP Fit Center 3070 is at 0.007533 -3.813985 0.131820 ESP Fit Center 3071 is at -2.984446 -3.819138 -0.295420 ESP Fit Center 3072 is at -2.688053 -4.115531 -0.295420 ESP Fit Center 3073 is at -2.333136 -4.338540 -0.295420 ESP Fit Center 3074 is at -1.937494 -4.476981 -0.295420 ESP Fit Center 3075 is at -1.520966 -4.523913 -0.295420 ESP Fit Center 3076 is at -1.104438 -4.476981 -0.295420 ESP Fit Center 3077 is at -0.708796 -4.338540 -0.295420 ESP Fit Center 3078 is at -0.353879 -4.115531 -0.295420 ESP Fit Center 3079 is at -0.057486 -3.819138 -0.295420 ESP Fit Center 3080 is at -2.503639 -4.075698 -0.701236 ESP Fit Center 3081 is at -2.134383 -4.269498 -0.701236 ESP Fit Center 3082 is at -1.729478 -4.369299 -0.701236 ESP Fit Center 3083 is at -1.312454 -4.369299 -0.701236 ESP Fit Center 3084 is at -0.907549 -4.269498 -0.701236 ESP Fit Center 3085 is at -0.538293 -4.075698 -0.701236 ESP Fit Center 3086 is at -0.226147 -3.799161 -0.701236 ESP Fit Center 3087 is at 0.010749 -3.455957 -0.701236 ESP Fit Center 3088 is at -2.144552 -4.017515 -1.065280 ESP Fit Center 3089 is at -1.734597 -4.137888 -1.065280 ESP Fit Center 3090 is at -1.307335 -4.137888 -1.065280 ESP Fit Center 3091 is at -0.897380 -4.017515 -1.065280 ESP Fit Center 3092 is at -0.537944 -3.786519 -1.065280 ESP Fit Center 3093 is at -0.258147 -3.463616 -1.065280 ESP Fit Center 3094 is at -1.313092 -3.830965 -1.369296 ESP Fit Center 3095 is at 5.694682 -0.243276 -0.453917 ESP Fit Center 3096 is at 5.661850 0.173897 -0.453917 ESP Fit Center 3097 is at 5.595776 -0.243276 -0.865890 ESP Fit Center 3098 is at 3.444107 -0.421337 4.114181 ESP Fit Center 3099 is at 3.866480 -0.421337 4.080940 ESP Fit Center 3100 is at 3.655294 -0.055551 4.080940 ESP Fit Center 3101 is at 3.232921 -0.055551 4.080940 ESP Fit Center 3102 is at 3.021734 -0.421337 4.080940 ESP Fit Center 3103 is at 3.232921 -0.787122 4.080940 ESP Fit Center 3104 is at 3.655294 -0.787122 4.080940 ESP Fit Center 3105 is at 4.278453 -0.421337 3.982034 ESP Fit Center 3106 is at 4.166672 -0.004164 3.982034 ESP Fit Center 3107 is at 2.609761 -0.421337 3.982034 ESP Fit Center 3108 is at 2.721542 -0.838510 3.982034 ESP Fit Center 3109 is at 3.444107 -1.255683 3.982034 ESP Fit Center 3110 is at 3.861280 -1.143901 3.982034 ESP Fit Center 3111 is at 4.166672 -0.838510 3.982034 ESP Fit Center 3112 is at 4.669881 -0.421337 3.819899 ESP Fit Center 3113 is at 4.595958 -0.002097 3.819899 ESP Fit Center 3114 is at 4.383105 0.366576 3.819899 ESP Fit Center 3115 is at 2.218333 -0.421337 3.819899 ESP Fit Center 3116 is at 4.056994 -1.482888 3.819899 ESP Fit Center 3117 is at 4.383105 -1.209249 3.819899 ESP Fit Center 3118 is at 4.595958 -0.840576 3.819899 ESP Fit Center 3119 is at 5.031127 -0.421337 3.598527 ESP Fit Center 3120 is at 4.977051 -0.010586 3.598527 ESP Fit Center 3121 is at 4.818507 0.372173 3.598527 ESP Fit Center 3122 is at 1.857087 -0.421337 3.598527 ESP Fit Center 3123 is at 4.237617 -1.795736 3.598527 ESP Fit Center 3124 is at 4.566300 -1.543529 3.598527 ESP Fit Center 3125 is at 4.818507 -1.214847 3.598527 ESP Fit Center 3126 is at 4.977051 -0.832088 3.598527 ESP Fit Center 3127 is at 5.164226 0.407029 3.323370 ESP Fit Center 3128 is at 4.936771 0.769023 3.323370 ESP Fit Center 3129 is at 1.582786 0.003498 3.323370 ESP Fit Center 3130 is at 1.534919 -0.421337 3.323370 ESP Fit Center 3131 is at 4.272473 -2.141456 3.323370 ESP Fit Center 3132 is at 4.634467 -1.914000 3.323370 ESP Fit Center 3133 is at 5.281696 0.759610 3.001201 ESP Fit Center 3134 is at 5.024993 1.086035 3.001201 ESP Fit Center 3135 is at 1.269652 -0.213701 3.001201 ESP Fit Center 3136 is at 4.711152 -2.200652 3.001201 ESP Fit Center 3137 is at 5.286994 1.125029 2.639956 ESP Fit Center 3138 is at 1.074938 -0.003588 2.639956 ESP Fit Center 3139 is at 1.038389 -0.421337 2.639956 ESP Fit Center 3140 is at 4.646966 -2.504749 2.639956 ESP Fit Center 3141 is at 5.183266 1.467894 2.248527 ESP Fit Center 3142 is at 4.475602 -2.772908 2.248527 ESP Fit Center 3143 is at 5.329790 1.464346 1.836554 ESP Fit Center 3144 is at 5.011588 1.736116 1.836554 ESP Fit Center 3145 is at 4.654790 -2.797436 1.836554 ESP Fit Center 3146 is at 5.389515 1.450931 1.414181 ESP Fit Center 3147 is at 5.080916 1.725954 1.414181 ESP Fit Center 3148 is at 4.733951 1.950646 1.414181 ESP Fit Center 3149 is at 4.356753 -2.962415 1.414181 ESP Fit Center 3150 is at 4.733951 -2.793320 1.414181 ESP Fit Center 3151 is at 5.329790 1.464346 0.991808 ESP Fit Center 3152 is at 5.011588 1.736116 0.991808 ESP Fit Center 3153 is at 4.654790 1.954763 0.991808 ESP Fit Center 3154 is at 4.268181 2.114901 0.991808 ESP Fit Center 3155 is at 4.654790 -2.797436 0.991808 ESP Fit Center 3156 is at 5.470504 1.155871 0.579835 ESP Fit Center 3157 is at 3.210640 -3.266251 0.987097 ESP Fit Center 3158 is at 3.640390 -3.241221 0.987097 ESP Fit Center 3159 is at 4.052784 -3.117759 0.987097 ESP Fit Center 3160 is at 4.425589 -2.902520 0.987097 ESP Fit Center 3161 is at 2.789651 -3.457677 0.658657 ESP Fit Center 3162 is at 3.211590 -3.522316 0.658657 ESP Fit Center 3163 is at 3.637903 -3.500695 0.658657 ESP Fit Center 3164 is at 4.051138 -3.393702 0.658657 ESP Fit Center 3165 is at 4.434376 -3.205714 0.658657 ESP Fit Center 3166 is at 4.771928 -2.944430 0.658657 ESP Fit Center 3167 is at 5.049974 -2.620545 0.658657 ESP Fit Center 3168 is at 2.686897 -3.635016 0.292620 ESP Fit Center 3169 is at 3.105510 -3.713268 0.292620 ESP Fit Center 3170 is at 3.531375 -3.713268 0.292620 ESP Fit Center 3171 is at 3.949988 -3.635016 0.292620 ESP Fit Center 3172 is at 4.347095 -3.481176 0.292620 ESP Fit Center 3173 is at 4.709172 -3.256987 0.292620 ESP Fit Center 3174 is at 5.023889 -2.970084 0.292620 ESP Fit Center 3175 is at 5.280530 -2.630237 0.292620 ESP Fit Center 3176 is at 5.470354 -2.249019 0.292620 ESP Fit Center 3177 is at 5.761331 -1.415364 -0.101029 ESP Fit Center 3178 is at 2.482925 -3.710928 -0.101029 ESP Fit Center 3179 is at 2.894239 -3.821140 -0.101029 ESP Fit Center 3180 is at 3.318442 -3.858252 -0.101029 ESP Fit Center 3181 is at 3.742646 -3.821140 -0.101029 ESP Fit Center 3182 is at 4.153959 -3.710928 -0.101029 ESP Fit Center 3183 is at 4.539887 -3.530967 -0.101029 ESP Fit Center 3184 is at 4.888701 -3.286725 -0.101029 ESP Fit Center 3185 is at 5.189804 -2.985622 -0.101029 ESP Fit Center 3186 is at 5.434046 -2.636808 -0.101029 ESP Fit Center 3187 is at 5.614007 -2.250881 -0.101029 ESP Fit Center 3188 is at 5.724218 -1.839567 -0.101029 ESP Fit Center 3189 is at 5.829835 -1.415364 -0.511553 ESP Fit Center 3190 is at 5.793711 -0.990936 -0.511553 ESP Fit Center 3191 is at 5.686378 -0.578719 -0.511553 ESP Fit Center 3192 is at 2.583049 -3.816674 -0.511553 ESP Fit Center 3193 is at 2.999451 -3.906416 -0.511553 ESP Fit Center 3194 is at 3.425029 -3.924494 -0.511553 ESP Fit Center 3195 is at 3.847541 -3.870389 -0.511553 ESP Fit Center 3196 is at 4.254831 -3.745658 -0.511553 ESP Fit Center 3197 is at 4.635184 -3.553888 -0.511553 ESP Fit Center 3198 is at 4.977656 -3.300597 -0.511553 ESP Fit Center 3199 is at 5.272396 -2.993071 -0.511553 ESP Fit Center 3200 is at 5.510924 -2.640157 -0.511553 ESP Fit Center 3201 is at 5.686378 -2.252009 -0.511553 ESP Fit Center 3202 is at 5.793711 -1.839791 -0.511553 ESP Fit Center 3203 is at 5.829835 -1.415364 -0.927753 ESP Fit Center 3204 is at 5.793711 -0.990936 -0.927753 ESP Fit Center 3205 is at 5.686378 -0.578719 -0.927753 ESP Fit Center 3206 is at 2.187804 -3.657851 -0.927753 ESP Fit Center 3207 is at 2.583049 -3.816674 -0.927753 ESP Fit Center 3208 is at 2.999451 -3.906416 -0.927753 ESP Fit Center 3209 is at 3.425029 -3.924494 -0.927753 ESP Fit Center 3210 is at 3.847541 -3.870389 -0.927753 ESP Fit Center 3211 is at 4.254831 -3.745658 -0.927753 ESP Fit Center 3212 is at 4.635184 -3.553888 -0.927753 ESP Fit Center 3213 is at 4.977656 -3.300597 -0.927753 ESP Fit Center 3214 is at 5.272396 -2.993071 -0.927753 ESP Fit Center 3215 is at 5.510924 -2.640157 -0.927753 ESP Fit Center 3216 is at 5.686378 -2.252009 -0.927753 ESP Fit Center 3217 is at 5.793711 -1.839791 -0.927753 ESP Fit Center 3218 is at 5.761331 -1.415364 -1.338276 ESP Fit Center 3219 is at 5.724218 -0.991161 -1.338276 ESP Fit Center 3220 is at 5.614007 -0.579847 -1.338276 ESP Fit Center 3221 is at 5.434046 -0.193919 -1.338276 ESP Fit Center 3222 is at 2.096998 -3.530967 -1.338276 ESP Fit Center 3223 is at 2.482925 -3.710928 -1.338276 ESP Fit Center 3224 is at 2.894239 -3.821140 -1.338276 ESP Fit Center 3225 is at 3.318442 -3.858252 -1.338276 ESP Fit Center 3226 is at 3.742646 -3.821140 -1.338276 ESP Fit Center 3227 is at 4.153959 -3.710928 -1.338276 ESP Fit Center 3228 is at 4.539887 -3.530967 -1.338276 ESP Fit Center 3229 is at 4.888701 -3.286725 -1.338276 ESP Fit Center 3230 is at 5.189804 -2.985622 -1.338276 ESP Fit Center 3231 is at 5.434046 -2.636808 -1.338276 ESP Fit Center 3232 is at 5.614007 -2.250881 -1.338276 ESP Fit Center 3233 is at 5.724218 -1.839567 -1.338276 ESP Fit Center 3234 is at 5.626191 -1.415364 -1.731925 ESP Fit Center 3235 is at 5.586897 -0.991316 -1.731925 ESP Fit Center 3236 is at 5.470354 -0.581709 -1.731925 ESP Fit Center 3237 is at 5.280530 -0.200491 -1.731925 ESP Fit Center 3238 is at 1.927713 -3.256987 -1.731925 ESP Fit Center 3239 is at 2.289790 -3.481176 -1.731925 ESP Fit Center 3240 is at 2.686897 -3.635016 -1.731925 ESP Fit Center 3241 is at 3.105510 -3.713268 -1.731925 ESP Fit Center 3242 is at 3.531375 -3.713268 -1.731925 ESP Fit Center 3243 is at 3.949988 -3.635016 -1.731925 ESP Fit Center 3244 is at 4.347095 -3.481176 -1.731925 ESP Fit Center 3245 is at 4.709172 -3.256987 -1.731925 ESP Fit Center 3246 is at 5.023889 -2.970084 -1.731925 ESP Fit Center 3247 is at 5.280530 -2.630237 -1.731925 ESP Fit Center 3248 is at 5.470354 -2.249019 -1.731925 ESP Fit Center 3249 is at 5.586897 -1.839412 -1.731925 ESP Fit Center 3250 is at 1.717721 -2.789538 -2.097962 ESP Fit Center 3251 is at 2.027107 -3.083631 -2.097962 ESP Fit Center 3252 is at 2.389361 -3.309426 -2.097962 ESP Fit Center 3253 is at 2.789651 -3.457677 -2.097962 ESP Fit Center 3254 is at 3.211590 -3.522316 -2.097962 ESP Fit Center 3255 is at 3.637903 -3.500695 -2.097962 ESP Fit Center 3256 is at 4.051138 -3.393702 -2.097962 ESP Fit Center 3257 is at 4.434376 -3.205714 -2.097962 ESP Fit Center 3258 is at 4.771928 -2.944430 -2.097962 ESP Fit Center 3259 is at 5.049974 -2.620545 -2.097962 ESP Fit Center 3260 is at 5.257130 -2.247320 -2.097962 ESP Fit Center 3261 is at 2.391430 -3.020996 -2.426402 ESP Fit Center 3262 is at 2.786702 -3.191500 -2.426402 ESP Fit Center 3263 is at 3.210640 -3.266251 -2.426402 ESP Fit Center 3264 is at 3.640390 -3.241221 -2.426402 ESP Fit Center 3265 is at -1.913527 0.924719 2.442934 ESP Fit Center 3266 is at -2.124713 1.290505 2.442934 ESP Fit Center 3267 is at -1.613335 1.341892 2.344028 ESP Fit Center 3268 is at -1.918727 1.647284 2.344028 ESP Fit Center 3269 is at -2.335900 1.759065 2.344028 ESP Fit Center 3270 is at -2.753073 1.647284 2.344028 ESP Fit Center 3271 is at -1.723012 1.986271 2.181893 ESP Fit Center 3272 is at -2.123046 2.131871 2.181893 ESP Fit Center 3273 is at -2.548753 2.131871 2.181893 ESP Fit Center 3274 is at -2.948787 1.986271 2.181893 ESP Fit Center 3275 is at -1.925149 2.457663 1.960521 ESP Fit Center 3276 is at -2.335900 2.511740 1.960521 ESP Fit Center 3277 is at -2.746651 2.457663 1.960521 ESP Fit Center 3278 is at -3.129410 2.299119 1.960521 ESP Fit Center 3279 is at -1.911065 2.786040 1.685364 ESP Fit Center 3280 is at -3.526259 2.417383 1.685364 ESP Fit Center 3281 is at -4.419312 2.127578 -1.449599 ESP Fit Center 3282 is at -4.052912 2.274992 -1.810845 ESP Fit Center 3283 is at -4.277424 1.925645 -1.810845 ESP Fit Center 3284 is at -4.431764 1.540121 -1.810845 ESP Fit Center 3285 is at -1.911065 2.786040 -2.133013 ESP Fit Center 3286 is at -3.526259 2.417383 -2.133013 ESP Fit Center 3287 is at -3.828563 2.115079 -2.133013 ESP Fit Center 3288 is at -4.056019 1.753085 -2.133013 ESP Fit Center 3289 is at -4.197221 1.349554 -2.133013 ESP Fit Center 3290 is at -1.925149 2.457663 -2.408170 ESP Fit Center 3291 is at -2.335900 2.511740 -2.408170 ESP Fit Center 3292 is at -2.746651 2.457663 -2.408170 ESP Fit Center 3293 is at -3.129410 2.299119 -2.408170 ESP Fit Center 3294 is at -3.458092 2.046912 -2.408170 ESP Fit Center 3295 is at -3.710299 1.718229 -2.408170 ESP Fit Center 3296 is at -3.868843 1.335470 -2.408170 ESP Fit Center 3297 is at -3.922920 0.924719 -2.408170 ESP Fit Center 3298 is at -3.868843 0.513968 -2.408170 ESP Fit Center 3299 is at -1.723012 1.986271 -2.629542 ESP Fit Center 3300 is at -2.123046 2.131871 -2.629542 ESP Fit Center 3301 is at -2.548753 2.131871 -2.629542 ESP Fit Center 3302 is at -2.948787 1.986271 -2.629542 ESP Fit Center 3303 is at -3.274897 1.712632 -2.629542 ESP Fit Center 3304 is at -3.487751 1.343959 -2.629542 ESP Fit Center 3305 is at -3.561674 0.924719 -2.629542 ESP Fit Center 3306 is at -3.487751 0.505480 -2.629542 ESP Fit Center 3307 is at -3.274897 0.136807 -2.629542 ESP Fit Center 3308 is at -2.948787 -0.136832 -2.629542 ESP Fit Center 3309 is at -1.613335 1.341892 -2.791677 ESP Fit Center 3310 is at -1.918727 1.647284 -2.791677 ESP Fit Center 3311 is at -2.335900 1.759065 -2.791677 ESP Fit Center 3312 is at -2.753073 1.647284 -2.791677 ESP Fit Center 3313 is at -3.058464 1.341892 -2.791677 ESP Fit Center 3314 is at -3.170246 0.924719 -2.791677 ESP Fit Center 3315 is at -3.058464 0.507546 -2.791677 ESP Fit Center 3316 is at -2.753073 0.202155 -2.791677 ESP Fit Center 3317 is at -2.335900 0.090373 -2.791677 ESP Fit Center 3318 is at -1.918727 0.202155 -2.791677 ESP Fit Center 3319 is at -1.913527 0.924719 -2.890583 ESP Fit Center 3320 is at -2.124713 1.290505 -2.890583 ESP Fit Center 3321 is at -2.547086 1.290505 -2.890583 ESP Fit Center 3322 is at -2.758273 0.924719 -2.890583 ESP Fit Center 3323 is at -2.547086 0.558934 -2.890583 ESP Fit Center 3324 is at -2.124713 0.558934 -2.890583 ESP Fit Center 3325 is at -2.335900 0.924719 -2.923825 ESP Fit Center 3326 is at -0.990643 0.665073 2.487930 ESP Fit Center 3327 is at -0.568270 0.665073 2.454689 ESP Fit Center 3328 is at -0.779456 1.030859 2.454689 ESP Fit Center 3329 is at -1.201829 1.030859 2.454689 ESP Fit Center 3330 is at -1.413016 0.665073 2.454689 ESP Fit Center 3331 is at -1.201829 0.299287 2.454689 ESP Fit Center 3332 is at -0.779456 0.299287 2.454689 ESP Fit Center 3333 is at -0.156297 0.665073 2.355783 ESP Fit Center 3334 is at -0.990643 1.499419 2.355783 ESP Fit Center 3335 is at -1.407816 1.387638 2.355783 ESP Fit Center 3336 is at -1.407816 -0.057492 2.355783 ESP Fit Center 3337 is at -0.268078 0.247900 2.355783 ESP Fit Center 3338 is at 0.161208 0.245834 -2.617788 ESP Fit Center 3339 is at -0.156297 0.665073 -2.779922 ESP Fit Center 3340 is at -1.407816 1.387638 -2.779922 ESP Fit Center 3341 is at -1.713208 0.247900 -2.779922 ESP Fit Center 3342 is at -1.407816 -0.057492 -2.779922 ESP Fit Center 3343 is at -0.268078 0.247900 -2.779922 ESP Fit Center 3344 is at -0.568270 0.665073 -2.878828 ESP Fit Center 3345 is at -0.779456 1.030859 -2.878828 ESP Fit Center 3346 is at -1.201829 1.030859 -2.878828 ESP Fit Center 3347 is at -1.413016 0.665073 -2.878828 ESP Fit Center 3348 is at -1.201829 0.299287 -2.878828 ESP Fit Center 3349 is at -0.779456 0.299287 -2.878828 ESP Fit Center 3350 is at -0.990643 0.665073 -2.912070 ESP Fit Center 3351 is at -0.168360 1.648649 2.484065 ESP Fit Center 3352 is at 0.254013 1.648649 2.450823 ESP Fit Center 3353 is at 0.042826 2.014435 2.450823 ESP Fit Center 3354 is at -0.379547 2.014435 2.450823 ESP Fit Center 3355 is at -0.590733 1.648649 2.450823 ESP Fit Center 3356 is at -0.379547 1.282863 2.450823 ESP Fit Center 3357 is at 0.042826 1.282863 2.450823 ESP Fit Center 3358 is at 0.248813 2.371214 2.351918 ESP Fit Center 3359 is at -0.168360 2.482995 2.351918 ESP Fit Center 3360 is at -0.585533 2.371214 2.351918 ESP Fit Center 3361 is at -0.890925 2.065822 2.351918 ESP Fit Center 3362 is at -1.002706 1.648649 2.351918 ESP Fit Center 3363 is at 0.248813 0.926084 2.351918 ESP Fit Center 3364 is at 0.444527 2.710201 2.189783 ESP Fit Center 3365 is at 0.044493 2.855801 2.189783 ESP Fit Center 3366 is at -0.381214 2.855801 2.189783 ESP Fit Center 3367 is at -0.781248 2.710201 2.189783 ESP Fit Center 3368 is at -1.107358 2.436561 2.189783 ESP Fit Center 3369 is at -1.320211 2.067888 2.189783 ESP Fit Center 3370 is at 0.625150 3.023049 1.968411 ESP Fit Center 3371 is at 0.242391 3.181593 1.968411 ESP Fit Center 3372 is at -0.168360 3.235669 1.968411 ESP Fit Center 3373 is at -0.579111 3.181593 1.968411 ESP Fit Center 3374 is at -0.961870 3.023049 1.968411 ESP Fit Center 3375 is at -1.290553 2.770842 1.968411 ESP Fit Center 3376 is at -1.542760 2.442159 1.968411 ESP Fit Center 3377 is at 0.660005 3.368768 1.693253 ESP Fit Center 3378 is at 0.256474 3.509970 1.693253 ESP Fit Center 3379 is at -0.168360 3.557837 1.693253 ESP Fit Center 3380 is at -0.593195 3.509970 1.693253 ESP Fit Center 3381 is at -0.996726 3.368768 1.693253 ESP Fit Center 3382 is at -1.358720 3.141312 1.693253 ESP Fit Center 3383 is at -1.661024 2.839008 1.693253 ESP Fit Center 3384 is at 0.346619 3.771421 1.371085 ESP Fit Center 3385 is at -0.064425 3.830521 1.371085 ESP Fit Center 3386 is at -0.479225 3.810761 1.371085 ESP Fit Center 3387 is at -0.882790 3.712857 1.371085 ESP Fit Center 3388 is at -1.260533 3.540348 1.371085 ESP Fit Center 3389 is at -1.598803 3.299467 1.371085 ESP Fit Center 3390 is at 0.249388 4.017818 1.009839 ESP Fit Center 3391 is at -0.168360 4.054366 1.009839 ESP Fit Center 3392 is at -0.586109 4.017818 1.009839 ESP Fit Center 3393 is at -0.991164 3.909284 1.009839 ESP Fit Center 3394 is at -1.371219 3.732061 1.009839 ESP Fit Center 3395 is at -1.714726 3.491535 1.009839 ESP Fit Center 3396 is at 0.462010 4.137926 0.618411 ESP Fit Center 3397 is at 0.043691 4.207731 0.618411 ESP Fit Center 3398 is at -0.380412 4.207731 0.618411 ESP Fit Center 3399 is at -0.798731 4.137926 0.618411 ESP Fit Center 3400 is at -1.199855 4.000220 0.618411 ESP Fit Center 3401 is at -1.572843 3.798369 0.618411 ESP Fit Center 3402 is at 0.248813 4.282575 0.206438 ESP Fit Center 3403 is at -0.168360 4.315407 0.206438 ESP Fit Center 3404 is at -0.585533 4.282575 0.206438 ESP Fit Center 3405 is at -0.992434 4.184887 0.206438 ESP Fit Center 3406 is at -1.379043 4.024748 0.206438 ESP Fit Center 3407 is at 0.345696 4.299261 -0.215935 ESP Fit Center 3408 is at -0.064943 4.346667 -0.215935 ESP Fit Center 3409 is at -0.478006 4.330834 -0.215935 ESP Fit Center 3410 is at -0.883810 4.252133 -0.215935 ESP Fit Center 3411 is at -1.272846 4.112409 -0.215935 ESP Fit Center 3412 is at -1.635993 3.914935 -0.215935 ESP Fit Center 3413 is at 0.248813 4.282575 -0.638308 ESP Fit Center 3414 is at -0.168360 4.315407 -0.638308 ESP Fit Center 3415 is at -0.585533 4.282575 -0.638308 ESP Fit Center 3416 is at -0.992434 4.184887 -0.638308 ESP Fit Center 3417 is at -1.379043 4.024748 -0.638308 ESP Fit Center 3418 is at 0.462010 4.137926 -1.050281 ESP Fit Center 3419 is at 0.043691 4.207731 -1.050281 ESP Fit Center 3420 is at -0.380412 4.207731 -1.050281 ESP Fit Center 3421 is at -0.798731 4.137926 -1.050281 ESP Fit Center 3422 is at -1.199855 4.000220 -1.050281 ESP Fit Center 3423 is at -1.572843 3.798369 -1.050281 ESP Fit Center 3424 is at 0.249388 4.017818 -1.441709 ESP Fit Center 3425 is at -0.168360 4.054366 -1.441709 ESP Fit Center 3426 is at -0.586109 4.017818 -1.441709 ESP Fit Center 3427 is at -0.991164 3.909284 -1.441709 ESP Fit Center 3428 is at -1.371219 3.732061 -1.441709 ESP Fit Center 3429 is at -1.714726 3.491535 -1.441709 ESP Fit Center 3430 is at 0.346619 3.771421 -1.802955 ESP Fit Center 3431 is at -0.064425 3.830521 -1.802955 ESP Fit Center 3432 is at -0.479225 3.810761 -1.802955 ESP Fit Center 3433 is at -0.882790 3.712857 -1.802955 ESP Fit Center 3434 is at -1.260533 3.540348 -1.802955 ESP Fit Center 3435 is at -1.598803 3.299467 -1.802955 ESP Fit Center 3436 is at 0.660005 3.368768 -2.125123 ESP Fit Center 3437 is at 0.256474 3.509970 -2.125123 ESP Fit Center 3438 is at -0.168360 3.557837 -2.125123 ESP Fit Center 3439 is at -0.593195 3.509970 -2.125123 ESP Fit Center 3440 is at -0.996726 3.368768 -2.125123 ESP Fit Center 3441 is at -1.358720 3.141312 -2.125123 ESP Fit Center 3442 is at -1.661024 2.839008 -2.125123 ESP Fit Center 3443 is at 0.625150 3.023049 -2.400281 ESP Fit Center 3444 is at 0.242391 3.181593 -2.400281 ESP Fit Center 3445 is at -0.168360 3.235669 -2.400281 ESP Fit Center 3446 is at -0.579111 3.181593 -2.400281 ESP Fit Center 3447 is at -0.961870 3.023049 -2.400281 ESP Fit Center 3448 is at -1.290553 2.770842 -2.400281 ESP Fit Center 3449 is at -1.542760 2.442159 -2.400281 ESP Fit Center 3450 is at 0.444527 2.710201 -2.621653 ESP Fit Center 3451 is at 0.044493 2.855801 -2.621653 ESP Fit Center 3452 is at -0.381214 2.855801 -2.621653 ESP Fit Center 3453 is at -0.781248 2.710201 -2.621653 ESP Fit Center 3454 is at -1.107358 2.436561 -2.621653 ESP Fit Center 3455 is at -1.320211 2.067888 -2.621653 ESP Fit Center 3456 is at 0.554204 2.065822 -2.783788 ESP Fit Center 3457 is at 0.248813 2.371214 -2.783788 ESP Fit Center 3458 is at -0.168360 2.482995 -2.783788 ESP Fit Center 3459 is at -0.585533 2.371214 -2.783788 ESP Fit Center 3460 is at -0.890925 2.065822 -2.783788 ESP Fit Center 3461 is at -1.002706 1.648649 -2.783788 ESP Fit Center 3462 is at -0.168360 0.814303 -2.783788 ESP Fit Center 3463 is at 0.248813 0.926084 -2.783788 ESP Fit Center 3464 is at 0.254013 1.648649 -2.882694 ESP Fit Center 3465 is at 0.042826 2.014435 -2.882694 ESP Fit Center 3466 is at -0.379547 2.014435 -2.882694 ESP Fit Center 3467 is at -0.590733 1.648649 -2.882694 ESP Fit Center 3468 is at -0.379547 1.282863 -2.882694 ESP Fit Center 3469 is at 0.042826 1.282863 -2.882694 ESP Fit Center 3470 is at -0.168360 1.648649 -2.915935 ESP Fit Center 3471 is at 1.178044 1.397483 2.525277 ESP Fit Center 3472 is at 1.389231 1.763269 2.492035 ESP Fit Center 3473 is at 0.966857 1.763269 2.492035 ESP Fit Center 3474 is at 0.755671 1.397483 2.492035 ESP Fit Center 3475 is at 0.966857 1.031697 2.492035 ESP Fit Center 3476 is at 1.595217 2.120048 2.393129 ESP Fit Center 3477 is at 1.178044 2.231829 2.393129 ESP Fit Center 3478 is at 0.760871 2.120048 2.393129 ESP Fit Center 3479 is at 0.455479 0.980310 2.393129 ESP Fit Center 3480 is at 0.760871 0.674918 2.393129 ESP Fit Center 3481 is at 0.965191 2.604635 2.230994 ESP Fit Center 3482 is at 0.767293 2.930427 2.009623 ESP Fit Center 3483 is at 2.403818 1.397483 -2.580441 ESP Fit Center 3484 is at 1.390897 2.604635 -2.580441 ESP Fit Center 3485 is at 0.965191 2.604635 -2.580441 ESP Fit Center 3486 is at 2.329895 0.978244 -2.580441 ESP Fit Center 3487 is at 2.012390 1.397483 -2.742576 ESP Fit Center 3488 is at 1.900609 1.814656 -2.742576 ESP Fit Center 3489 is at 1.595217 2.120048 -2.742576 ESP Fit Center 3490 is at 1.178044 2.231829 -2.742576 ESP Fit Center 3491 is at 0.760871 2.120048 -2.742576 ESP Fit Center 3492 is at 0.760871 0.674918 -2.742576 ESP Fit Center 3493 is at 1.900609 0.980310 -2.742576 ESP Fit Center 3494 is at 1.600417 1.397483 -2.841482 ESP Fit Center 3495 is at 1.389231 1.763269 -2.841482 ESP Fit Center 3496 is at 0.966857 1.763269 -2.841482 ESP Fit Center 3497 is at 0.755671 1.397483 -2.841482 ESP Fit Center 3498 is at 0.966857 1.031697 -2.841482 ESP Fit Center 3499 is at 1.389231 1.031697 -2.841482 ESP Fit Center 3500 is at 1.178044 1.397483 -2.874723 ESP Fit Center 3501 is at 2.009474 2.257957 2.370734 ESP Fit Center 3502 is at 2.216863 2.617166 2.336364 ESP Fit Center 3503 is at 1.802085 2.617166 2.336364 ESP Fit Center 3504 is at 2.718093 2.667078 2.234193 ESP Fit Center 3505 is at 2.418595 2.966576 2.234193 ESP Fit Center 3506 is at 2.009474 3.076200 2.234193 ESP Fit Center 3507 is at 1.600353 2.966576 2.234193 ESP Fit Center 3508 is at 1.300855 2.667078 2.234193 ESP Fit Center 3509 is at 3.136529 2.668172 2.067008 ESP Fit Center 3510 is at 2.928258 3.028909 2.067008 ESP Fit Center 3511 is at 2.609168 3.296657 2.067008 ESP Fit Center 3512 is at 2.217745 3.439123 2.067008 ESP Fit Center 3513 is at 1.801202 3.439123 2.067008 ESP Fit Center 3514 is at 1.409780 3.296657 2.067008 ESP Fit Center 3515 is at 1.090690 3.028909 2.067008 ESP Fit Center 3516 is at 3.499893 2.675553 1.839368 ESP Fit Center 3517 is at 3.331958 3.062178 1.839368 ESP Fit Center 3518 is at 3.065941 3.389157 1.839368 ESP Fit Center 3519 is at 2.721570 3.632240 1.839368 ESP Fit Center 3520 is at 2.324386 3.773399 1.839368 ESP Fit Center 3521 is at 1.903847 3.802165 1.839368 ESP Fit Center 3522 is at 1.491142 3.716404 1.839368 ESP Fit Center 3523 is at 1.116879 3.522476 1.839368 ESP Fit Center 3524 is at 0.808815 3.234765 1.839368 ESP Fit Center 3525 is at 3.813523 2.685525 1.557483 ESP Fit Center 3526 is at 3.666290 3.090042 1.557483 ESP Fit Center 3527 is at 3.429739 3.449701 1.557483 ESP Fit Center 3528 is at 3.116620 3.745113 1.557483 ESP Fit Center 3529 is at 2.743815 3.960352 1.557483 ESP Fit Center 3530 is at 2.331422 4.083815 1.557483 ESP Fit Center 3531 is at 1.901672 4.108845 1.557483 ESP Fit Center 3532 is at 1.477734 4.034093 1.557483 ESP Fit Center 3533 is at 1.082462 3.863589 1.557483 ESP Fit Center 3534 is at 0.737165 3.606526 1.557483 ESP Fit Center 3535 is at 4.075949 2.682628 1.229043 ESP Fit Center 3536 is at 3.948162 3.089914 1.229043 ESP Fit Center 3537 is at 3.741005 3.463139 1.229043 ESP Fit Center 3538 is at 3.462959 3.787023 1.229043 ESP Fit Center 3539 is at 3.125408 4.048308 1.229043 ESP Fit Center 3540 is at 2.742170 4.236295 1.229043 ESP Fit Center 3541 is at 2.328935 4.343289 1.229043 ESP Fit Center 3542 is at 1.902621 4.364909 1.229043 ESP Fit Center 3543 is at 1.480682 4.300270 1.229043 ESP Fit Center 3544 is at 1.080392 4.152019 1.229043 ESP Fit Center 3545 is at 0.718139 3.926225 1.229043 ESP Fit Center 3546 is at 4.317223 2.257957 0.863006 ESP Fit Center 3547 is at 4.277929 2.682005 0.863006 ESP Fit Center 3548 is at 4.161385 3.091612 0.863006 ESP Fit Center 3549 is at 3.971561 3.472830 0.863006 ESP Fit Center 3550 is at 3.714921 3.812677 0.863006 ESP Fit Center 3551 is at 3.400203 4.099580 0.863006 ESP Fit Center 3552 is at 3.038126 4.323769 0.863006 ESP Fit Center 3553 is at 2.641019 4.477609 0.863006 ESP Fit Center 3554 is at 2.222406 4.555861 0.863006 ESP Fit Center 3555 is at 1.796542 4.555861 0.863006 ESP Fit Center 3556 is at 1.377928 4.477609 0.863006 ESP Fit Center 3557 is at 0.980822 4.323769 0.863006 ESP Fit Center 3558 is at 0.618744 4.099580 0.863006 ESP Fit Center 3559 is at 4.415250 2.682160 0.469357 ESP Fit Center 3560 is at 4.305038 3.093474 0.469357 ESP Fit Center 3561 is at 4.125077 3.479401 0.469357 ESP Fit Center 3562 is at 3.880835 3.828216 0.469357 ESP Fit Center 3563 is at 3.579732 4.129318 0.469357 ESP Fit Center 3564 is at 3.230918 4.373561 0.469357 ESP Fit Center 3565 is at 2.844991 4.553522 0.469357 ESP Fit Center 3566 is at 2.433677 4.663733 0.469357 ESP Fit Center 3567 is at 2.009474 4.700846 0.469357 ESP Fit Center 3568 is at 1.585271 4.663733 0.469357 ESP Fit Center 3569 is at 1.173957 4.553522 0.469357 ESP Fit Center 3570 is at 0.788030 4.373561 0.469357 ESP Fit Center 3571 is at 4.484743 2.682385 0.058834 ESP Fit Center 3572 is at 4.377410 3.094602 0.058834 ESP Fit Center 3573 is at 4.201955 3.482751 0.058834 ESP Fit Center 3574 is at 3.963427 3.835664 0.058834 ESP Fit Center 3575 is at 3.668688 4.143190 0.058834 ESP Fit Center 3576 is at 3.326215 4.396481 0.058834 ESP Fit Center 3577 is at 2.945863 4.588251 0.058834 ESP Fit Center 3578 is at 2.538572 4.712982 0.058834 ESP Fit Center 3579 is at 2.116060 4.767087 0.058834 ESP Fit Center 3580 is at 1.690482 4.749009 0.058834 ESP Fit Center 3581 is at 1.274081 4.659268 0.058834 ESP Fit Center 3582 is at 0.878835 4.500445 0.058834 ESP Fit Center 3583 is at 0.516116 4.277110 0.058834 ESP Fit Center 3584 is at 4.484743 2.682385 -0.357366 ESP Fit Center 3585 is at 4.377410 3.094602 -0.357366 ESP Fit Center 3586 is at 4.201955 3.482751 -0.357366 ESP Fit Center 3587 is at 3.963427 3.835664 -0.357366 ESP Fit Center 3588 is at 3.668688 4.143190 -0.357366 ESP Fit Center 3589 is at 3.326215 4.396481 -0.357366 ESP Fit Center 3590 is at 2.945863 4.588251 -0.357366 ESP Fit Center 3591 is at 2.538572 4.712982 -0.357366 ESP Fit Center 3592 is at 2.116060 4.767087 -0.357366 ESP Fit Center 3593 is at 1.690482 4.749009 -0.357366 ESP Fit Center 3594 is at 1.274081 4.659268 -0.357366 ESP Fit Center 3595 is at 0.878835 4.500445 -0.357366 ESP Fit Center 3596 is at 0.516116 4.277110 -0.357366 ESP Fit Center 3597 is at 4.415250 2.682160 -0.767890 ESP Fit Center 3598 is at 4.305038 3.093474 -0.767890 ESP Fit Center 3599 is at 4.125077 3.479401 -0.767890 ESP Fit Center 3600 is at 3.880835 3.828216 -0.767890 ESP Fit Center 3601 is at 3.579732 4.129318 -0.767890 ESP Fit Center 3602 is at 3.230918 4.373561 -0.767890 ESP Fit Center 3603 is at 2.844991 4.553522 -0.767890 ESP Fit Center 3604 is at 2.433677 4.663733 -0.767890 ESP Fit Center 3605 is at 2.009474 4.700846 -0.767890 ESP Fit Center 3606 is at 1.585271 4.663733 -0.767890 ESP Fit Center 3607 is at 1.173957 4.553522 -0.767890 ESP Fit Center 3608 is at 0.788030 4.373561 -0.767890 ESP Fit Center 3609 is at 4.277929 2.682005 -1.161539 ESP Fit Center 3610 is at 4.161385 3.091612 -1.161539 ESP Fit Center 3611 is at 3.971561 3.472830 -1.161539 ESP Fit Center 3612 is at 3.714921 3.812677 -1.161539 ESP Fit Center 3613 is at 3.400203 4.099580 -1.161539 ESP Fit Center 3614 is at 3.038126 4.323769 -1.161539 ESP Fit Center 3615 is at 2.641019 4.477609 -1.161539 ESP Fit Center 3616 is at 2.222406 4.555861 -1.161539 ESP Fit Center 3617 is at 1.796542 4.555861 -1.161539 ESP Fit Center 3618 is at 1.377928 4.477609 -1.161539 ESP Fit Center 3619 is at 0.980822 4.323769 -1.161539 ESP Fit Center 3620 is at 0.618744 4.099580 -1.161539 ESP Fit Center 3621 is at 4.075949 2.682628 -1.527576 ESP Fit Center 3622 is at 3.948162 3.089914 -1.527576 ESP Fit Center 3623 is at 3.741005 3.463139 -1.527576 ESP Fit Center 3624 is at 3.462959 3.787023 -1.527576 ESP Fit Center 3625 is at 3.125408 4.048308 -1.527576 ESP Fit Center 3626 is at 2.742170 4.236295 -1.527576 ESP Fit Center 3627 is at 2.328935 4.343289 -1.527576 ESP Fit Center 3628 is at 1.902621 4.364909 -1.527576 ESP Fit Center 3629 is at 1.480682 4.300270 -1.527576 ESP Fit Center 3630 is at 1.080392 4.152019 -1.527576 ESP Fit Center 3631 is at 0.718139 3.926225 -1.527576 ESP Fit Center 3632 is at 3.863498 2.257957 -1.856016 ESP Fit Center 3633 is at 3.813523 2.685525 -1.856016 ESP Fit Center 3634 is at 3.666290 3.090042 -1.856016 ESP Fit Center 3635 is at 3.429739 3.449701 -1.856016 ESP Fit Center 3636 is at 3.116620 3.745113 -1.856016 ESP Fit Center 3637 is at 2.743815 3.960352 -1.856016 ESP Fit Center 3638 is at 2.331422 4.083815 -1.856016 ESP Fit Center 3639 is at 1.901672 4.108845 -1.856016 ESP Fit Center 3640 is at 1.477734 4.034093 -1.856016 ESP Fit Center 3641 is at 1.082462 3.863589 -1.856016 ESP Fit Center 3642 is at 0.737165 3.606526 -1.856016 ESP Fit Center 3643 is at 3.557290 2.257957 -2.137900 ESP Fit Center 3644 is at 3.499893 2.675553 -2.137900 ESP Fit Center 3645 is at 3.331958 3.062178 -2.137900 ESP Fit Center 3646 is at 3.065941 3.389157 -2.137900 ESP Fit Center 3647 is at 2.721570 3.632240 -2.137900 ESP Fit Center 3648 is at 2.324386 3.773399 -2.137900 ESP Fit Center 3649 is at 1.903847 3.802165 -2.137900 ESP Fit Center 3650 is at 1.491142 3.716404 -2.137900 ESP Fit Center 3651 is at 1.116879 3.522476 -2.137900 ESP Fit Center 3652 is at 3.208861 2.257957 -2.365540 ESP Fit Center 3653 is at 3.136529 2.668172 -2.365540 ESP Fit Center 3654 is at 2.928258 3.028909 -2.365540 ESP Fit Center 3655 is at 2.609168 3.296657 -2.365540 ESP Fit Center 3656 is at 2.217745 3.439123 -2.365540 ESP Fit Center 3657 is at 1.801202 3.439123 -2.365540 ESP Fit Center 3658 is at 1.409780 3.296657 -2.365540 ESP Fit Center 3659 is at 1.090690 3.028909 -2.365540 ESP Fit Center 3660 is at 2.928258 1.487006 -2.365540 ESP Fit Center 3661 is at 3.136529 1.847742 -2.365540 ESP Fit Center 3662 is at 2.827717 2.257957 -2.532726 ESP Fit Center 3663 is at 2.718093 2.667078 -2.532726 ESP Fit Center 3664 is at 2.418595 2.966576 -2.532726 ESP Fit Center 3665 is at 2.009474 3.076200 -2.532726 ESP Fit Center 3666 is at 1.600353 2.966576 -2.532726 ESP Fit Center 3667 is at 2.718093 1.848836 -2.532726 ESP Fit Center 3668 is at 2.424252 2.257957 -2.634897 ESP Fit Center 3669 is at 2.216863 2.617166 -2.634897 ESP Fit Center 3670 is at 1.802085 2.617166 -2.634897 ESP Fit Center 3671 is at 2.216863 1.898749 -2.634897 ESP Fit Center 3672 is at 2.009474 2.257957 -2.669266 ESP Fit Center 3673 is at 0.859867 0.467709 2.424209 ESP Fit Center 3674 is at 0.748086 0.050536 2.424209 ESP Fit Center 3675 is at 0.430581 0.469776 2.262074 ESP Fit Center 3676 is at 2.521430 0.838449 -2.549361 ESP Fit Center 3677 is at 2.304997 0.467709 -2.711496 ESP Fit Center 3678 is at 1.999605 0.773101 -2.711496 ESP Fit Center 3679 is at 0.859867 0.467709 -2.711496 ESP Fit Center 3680 is at 0.748086 0.050536 -2.711496 ESP Fit Center 3681 is at 2.004805 0.050536 -2.810402 ESP Fit Center 3682 is at 1.793619 0.416322 -2.810402 ESP Fit Center 3683 is at 1.371246 0.416322 -2.810402 ESP Fit Center 3684 is at 1.160059 0.050536 -2.810402 ESP Fit Center 3685 is at 1.371246 -0.315250 -2.810402 ESP Fit Center 3686 is at 1.582432 0.050536 -2.843644 ESP Fit Center 3687 is at 0.684674 -0.961935 2.557745 ESP Fit Center 3688 is at 0.895861 -0.596149 2.524504 ESP Fit Center 3689 is at 0.473488 -0.596149 2.524504 ESP Fit Center 3690 is at 0.262301 -0.961935 2.524504 ESP Fit Center 3691 is at 0.473488 -1.327721 2.524504 ESP Fit Center 3692 is at 0.684674 -0.127589 2.425598 ESP Fit Center 3693 is at 0.267501 -0.239370 2.425598 ESP Fit Center 3694 is at -0.037891 -1.379108 2.425598 ESP Fit Center 3695 is at 0.267501 -1.684500 2.425598 ESP Fit Center 3696 is at 0.684674 -1.796281 2.425598 ESP Fit Center 3697 is at 0.071787 -2.023487 2.263463 ESP Fit Center 3698 is at 0.471821 -2.169087 2.263463 ESP Fit Center 3699 is at 0.897528 -2.169087 2.263463 ESP Fit Center 3700 is at -0.108836 -2.336335 2.042091 ESP Fit Center 3701 is at 0.273923 -2.494879 2.042091 ESP Fit Center 3702 is at 0.684674 -2.548955 2.042091 ESP Fit Center 3703 is at 1.095425 -2.494879 2.042091 ESP Fit Center 3704 is at 0.259840 -2.823256 1.766934 ESP Fit Center 3705 is at 0.259840 -2.823256 -2.051443 ESP Fit Center 3706 is at 0.684674 -2.871123 -2.051443 ESP Fit Center 3707 is at 0.273923 -2.494879 -2.326600 ESP Fit Center 3708 is at 0.684674 -2.548955 -2.326600 ESP Fit Center 3709 is at 1.095425 -2.494879 -2.326600 ESP Fit Center 3710 is at 1.478184 -2.336335 -2.326600 ESP Fit Center 3711 is at 0.071787 -2.023487 -2.547972 ESP Fit Center 3712 is at 0.471821 -2.169087 -2.547972 ESP Fit Center 3713 is at 0.897528 -2.169087 -2.547972 ESP Fit Center 3714 is at 1.297561 -2.023487 -2.547972 ESP Fit Center 3715 is at 0.684674 -0.127589 -2.710107 ESP Fit Center 3716 is at 0.267501 -0.239370 -2.710107 ESP Fit Center 3717 is at 0.267501 -1.684500 -2.710107 ESP Fit Center 3718 is at 0.684674 -1.796281 -2.710107 ESP Fit Center 3719 is at 1.101847 -1.684500 -2.710107 ESP Fit Center 3720 is at 1.407239 -1.379108 -2.710107 ESP Fit Center 3721 is at 1.107047 -0.961935 -2.809013 ESP Fit Center 3722 is at 0.895861 -0.596149 -2.809013 ESP Fit Center 3723 is at 0.473488 -0.596149 -2.809013 ESP Fit Center 3724 is at 0.262301 -0.961935 -2.809013 ESP Fit Center 3725 is at 0.473488 -1.327721 -2.809013 ESP Fit Center 3726 is at 0.895861 -1.327721 -2.809013 ESP Fit Center 3727 is at 0.684674 -0.961935 -2.842255 ESP Fit Center 3728 is at -0.632036 -0.716986 2.504949 ESP Fit Center 3729 is at -0.209663 -0.716986 2.471707 ESP Fit Center 3730 is at -0.420850 -0.351200 2.471707 ESP Fit Center 3731 is at -0.843223 -0.351200 2.471707 ESP Fit Center 3732 is at -1.054409 -0.716986 2.471707 ESP Fit Center 3733 is at -0.843223 -1.082772 2.471707 ESP Fit Center 3734 is at -0.420850 -1.082772 2.471707 ESP Fit Center 3735 is at -0.214863 0.005579 2.372802 ESP Fit Center 3736 is at -1.354601 -0.299813 2.372802 ESP Fit Center 3737 is at -1.466382 -0.716986 2.372802 ESP Fit Center 3738 is at -1.354601 -1.134159 2.372802 ESP Fit Center 3739 is at -1.049209 -1.439551 2.372802 ESP Fit Center 3740 is at -0.632036 -1.551332 2.372802 ESP Fit Center 3741 is at -0.214863 -1.439551 2.372802 ESP Fit Center 3742 is at -0.844890 -1.924138 2.210667 ESP Fit Center 3743 is at -0.419183 -1.924138 2.210667 ESP Fit Center 3744 is at 0.090528 -0.299813 -2.762904 ESP Fit Center 3745 is at -0.214863 0.005579 -2.762904 ESP Fit Center 3746 is at -1.354601 -0.299813 -2.762904 ESP Fit Center 3747 is at -0.214863 -1.439551 -2.762904 ESP Fit Center 3748 is at -0.209663 -0.716986 -2.861810 ESP Fit Center 3749 is at -0.420850 -0.351200 -2.861810 ESP Fit Center 3750 is at -0.843223 -0.351200 -2.861810 ESP Fit Center 3751 is at -0.420850 -1.082772 -2.861810 ESP Fit Center 3752 is at -0.632036 -0.716986 -2.895051 ESP Fit Center 3753 is at 4.903728 1.759211 0.734243 ESP Fit Center 3754 is at 4.600413 2.045373 0.734243 ESP Fit Center 3755 is at 5.479903 1.019685 0.360808 ESP Fit Center 3756 is at 5.350984 1.416456 0.360808 ESP Fit Center 3757 is at 5.142389 1.777753 0.360808 ESP Fit Center 3758 is at 4.863235 2.087785 0.360808 ESP Fit Center 3759 is at 4.525721 2.333003 0.360808 ESP Fit Center 3760 is at 5.646428 0.604780 -0.044393 ESP Fit Center 3761 is at 5.605721 1.018079 -0.044393 ESP Fit Center 3762 is at 5.485167 1.415494 -0.044393 ESP Fit Center 3763 is at 5.289397 1.781754 -0.044393 ESP Fit Center 3764 is at 5.025934 2.102784 -0.044393 ESP Fit Center 3765 is at 4.704905 2.366246 -0.044393 ESP Fit Center 3766 is at 5.687931 0.604780 -0.465788 ESP Fit Center 3767 is at 5.648897 1.013563 -0.465788 ESP Fit Center 3768 is at 5.533206 1.407571 -0.465788 ESP Fit Center 3769 is at 5.345039 1.772565 -0.465788 ESP Fit Center 3770 is at 5.091197 2.095351 -0.465788 ESP Fit Center 3771 is at 4.780854 2.364265 -0.465788 ESP Fit Center 3772 is at 5.646428 0.604780 -0.887183 ESP Fit Center 3773 is at 5.605721 1.018079 -0.887183 ESP Fit Center 3774 is at 5.485167 1.415494 -0.887183 ESP Fit Center 3775 is at 5.289397 1.781754 -0.887183 ESP Fit Center 3776 is at 5.025934 2.102784 -0.887183 ESP Fit Center 3777 is at 4.704905 2.366246 -0.887183 ESP Fit Center 3778 is at 5.605721 0.191482 -0.887183 ESP Fit Center 3779 is at 5.523511 0.604780 -1.292385 ESP Fit Center 3780 is at 5.479903 1.019685 -1.292385 ESP Fit Center 3781 is at 5.350984 1.416456 -1.292385 ESP Fit Center 3782 is at 5.142389 1.777753 -1.292385 ESP Fit Center 3783 is at 4.863235 2.087785 -1.292385 ESP Fit Center 3784 is at 4.525721 2.333003 -1.292385 ESP Fit Center 3785 is at 5.479903 0.189876 -1.292385 ESP Fit Center 3786 is at 5.323906 0.604780 -1.665820 ESP Fit Center 3787 is at 5.275495 1.018961 -1.665820 ESP Fit Center 3788 is at 5.132873 1.410812 -1.665820 ESP Fit Center 3789 is at 4.903728 1.759211 -1.665820 ESP Fit Center 3790 is at 4.600413 2.045373 -1.665820 ESP Fit Center 3791 is at 4.239281 2.253873 -1.665820 ESP Fit Center 3792 is at 5.275495 0.190600 -1.665820 ESP Fit Center 3793 is at 5.055282 0.604780 -1.993139 ESP Fit Center 3794 is at 4.998644 1.016855 -1.993139 ESP Fit Center 3795 is at 4.832929 1.398367 -1.993139 ESP Fit Center 3796 is at 4.570429 1.721023 -1.993139 ESP Fit Center 3797 is at 4.230612 1.960893 -1.993139 ESP Fit Center 3798 is at 3.838680 2.100185 -1.993139 ESP Fit Center 3799 is at 4.998644 0.192706 -1.993139 ESP Fit Center 3800 is at 4.727963 0.604780 -2.261763 ESP Fit Center 3801 is at 4.655592 1.015215 -2.261763 ESP Fit Center 3802 is at 4.447209 1.376146 -2.261763 ESP Fit Center 3803 is at 4.127947 1.644038 -2.261763 ESP Fit Center 3804 is at 3.736315 1.786581 -2.261763 ESP Fit Center 3805 is at 3.319548 1.786581 -2.261763 ESP Fit Center 3806 is at 4.354528 0.604780 -2.461368 ESP Fit Center 3807 is at 4.243785 1.018079 -2.461368 ESP Fit Center 3808 is at 3.941230 1.320634 -2.461368 ESP Fit Center 3809 is at 3.527931 1.431377 -2.461368 ESP Fit Center 3810 is at 3.114633 1.320634 -2.461368 ESP Fit Center 3811 is at 2.812078 1.018079 -2.461368 ESP Fit Center 3812 is at 3.738629 0.969719 -2.584285 ESP Fit Center 3813 is at 3.317234 0.969719 -2.584285 ESP Fit Center 3814 is at 5.337432 -0.601943 3.460274 ESP Fit Center 3815 is at 5.226689 -0.188645 3.460274 ESP Fit Center 3816 is at 5.226689 -1.015242 3.460274 ESP Fit Center 3817 is at 5.710867 -0.601943 3.260669 ESP Fit Center 3818 is at 5.638497 -0.191508 3.260669 ESP Fit Center 3819 is at 5.430113 0.169422 3.260669 ESP Fit Center 3820 is at 5.110852 -1.641201 3.260669 ESP Fit Center 3821 is at 5.430113 -1.373309 3.260669 ESP Fit Center 3822 is at 5.638497 -1.012379 3.260669 ESP Fit Center 3823 is at 6.038186 -0.601943 2.992045 ESP Fit Center 3824 is at 5.981548 -0.189869 2.992045 ESP Fit Center 3825 is at 5.815834 0.191643 2.992045 ESP Fit Center 3826 is at 5.553334 0.514299 2.992045 ESP Fit Center 3827 is at 5.213516 -1.958056 2.992045 ESP Fit Center 3828 is at 5.553334 -1.718186 2.992045 ESP Fit Center 3829 is at 5.815834 -1.395530 2.992045 ESP Fit Center 3830 is at 5.981548 -1.014018 2.992045 ESP Fit Center 3831 is at 6.306810 -0.601943 2.664726 ESP Fit Center 3832 is at 6.258399 -0.187763 2.664726 ESP Fit Center 3833 is at 6.115777 0.204088 2.664726 ESP Fit Center 3834 is at 5.886632 0.552487 2.664726 ESP Fit Center 3835 is at 5.583317 0.838649 2.664726 ESP Fit Center 3836 is at 5.222185 -2.251036 2.664726 ESP Fit Center 3837 is at 5.583317 -2.042536 2.664726 ESP Fit Center 3838 is at 5.886632 -1.756374 2.664726 ESP Fit Center 3839 is at 6.115777 -1.407975 2.664726 ESP Fit Center 3840 is at 6.258399 -1.016124 2.664726 ESP Fit Center 3841 is at 6.506415 -0.601943 2.291291 ESP Fit Center 3842 is at 6.462807 -0.187039 2.291291 ESP Fit Center 3843 is at 6.333889 0.209732 2.291291 ESP Fit Center 3844 is at 6.125294 0.571029 2.291291 ESP Fit Center 3845 is at 5.846139 0.881061 2.291291 ESP Fit Center 3846 is at 5.508626 1.126279 2.291291 ESP Fit Center 3847 is at 5.127504 -2.499853 2.291291 ESP Fit Center 3848 is at 5.508626 -2.330166 2.291291 ESP Fit Center 3849 is at 5.846139 -2.084948 2.291291 ESP Fit Center 3850 is at 6.125294 -1.774916 2.291291 ESP Fit Center 3851 is at 6.333889 -1.413619 2.291291 ESP Fit Center 3852 is at 6.462807 -1.016848 2.291291 ESP Fit Center 3853 is at 6.629332 -0.601943 1.886090 ESP Fit Center 3854 is at 6.588626 -0.188645 1.886090 ESP Fit Center 3855 is at 6.468071 0.208770 1.886090 ESP Fit Center 3856 is at 6.272301 0.575030 1.886090 ESP Fit Center 3857 is at 6.008839 0.896060 1.886090 ESP Fit Center 3858 is at 5.687809 1.159522 1.886090 ESP Fit Center 3859 is at 4.924134 -2.679733 1.886090 ESP Fit Center 3860 is at 5.321549 -2.559179 1.886090 ESP Fit Center 3861 is at 5.687809 -2.363409 1.886090 ESP Fit Center 3862 is at 6.008839 -2.099947 1.886090 ESP Fit Center 3863 is at 6.272301 -1.778917 1.886090 ESP Fit Center 3864 is at 6.468071 -1.412657 1.886090 ESP Fit Center 3865 is at 6.588626 -1.015242 1.886090 ESP Fit Center 3866 is at 6.670836 -0.601943 1.464695 ESP Fit Center 3867 is at 6.631802 -0.193161 1.464695 ESP Fit Center 3868 is at 6.516110 0.200847 1.464695 ESP Fit Center 3869 is at 6.327943 0.565841 1.464695 ESP Fit Center 3870 is at 6.074101 0.888627 1.464695 ESP Fit Center 3871 is at 5.763759 1.157541 1.464695 ESP Fit Center 3872 is at 5.020075 -2.701056 1.464695 ESP Fit Center 3873 is at 5.408132 -2.566749 1.464695 ESP Fit Center 3874 is at 5.763759 -2.361428 1.464695 ESP Fit Center 3875 is at 6.074101 -2.092514 1.464695 ESP Fit Center 3876 is at 6.327943 -1.769728 1.464695 ESP Fit Center 3877 is at 6.516110 -1.404734 1.464695 ESP Fit Center 3878 is at 6.631802 -1.010726 1.464695 ESP Fit Center 3879 is at 6.629332 -0.601943 1.043299 ESP Fit Center 3880 is at 6.588626 -0.188645 1.043299 ESP Fit Center 3881 is at 6.468071 0.208770 1.043299 ESP Fit Center 3882 is at 6.272301 0.575030 1.043299 ESP Fit Center 3883 is at 6.008839 0.896060 1.043299 ESP Fit Center 3884 is at 5.687809 1.159522 1.043299 ESP Fit Center 3885 is at 4.924134 -2.679733 1.043299 ESP Fit Center 3886 is at 5.321549 -2.559179 1.043299 ESP Fit Center 3887 is at 5.687809 -2.363409 1.043299 ESP Fit Center 3888 is at 6.008839 -2.099947 1.043299 ESP Fit Center 3889 is at 6.272301 -1.778917 1.043299 ESP Fit Center 3890 is at 6.468071 -1.412657 1.043299 ESP Fit Center 3891 is at 6.588626 -1.015242 1.043299 ESP Fit Center 3892 is at 6.506415 -0.601943 0.638098 ESP Fit Center 3893 is at 6.462807 -0.187039 0.638098 ESP Fit Center 3894 is at 6.333889 0.209732 0.638098 ESP Fit Center 3895 is at 6.125294 0.571029 0.638098 ESP Fit Center 3896 is at 5.846139 0.881061 0.638098 ESP Fit Center 3897 is at 5.508626 -2.330166 0.638098 ESP Fit Center 3898 is at 5.846139 -2.084948 0.638098 ESP Fit Center 3899 is at 6.125294 -1.774916 0.638098 ESP Fit Center 3900 is at 6.333889 -1.413619 0.638098 ESP Fit Center 3901 is at 6.462807 -1.016848 0.638098 ESP Fit Center 3902 is at 6.306810 -0.601943 0.264663 ESP Fit Center 3903 is at 6.258399 -0.187763 0.264663 ESP Fit Center 3904 is at 6.115777 0.204088 0.264663 ESP Fit Center 3905 is at 5.886632 0.552487 0.264663 ESP Fit Center 3906 is at 5.583317 0.838649 0.264663 ESP Fit Center 3907 is at 5.583317 -2.042536 0.264663 ESP Fit Center 3908 is at 5.886632 -1.756374 0.264663 ESP Fit Center 3909 is at 6.115777 -1.407975 0.264663 ESP Fit Center 3910 is at 6.258399 -1.016124 0.264663 ESP Fit Center 3911 is at 6.038186 -0.601943 -0.062656 ESP Fit Center 3912 is at 5.981548 -0.189869 -0.062656 ESP Fit Center 3913 is at 5.815834 0.191643 -0.062656 ESP Fit Center 3914 is at 5.815834 -1.395530 -0.062656 ESP Fit Center 3915 is at 5.981548 -1.014018 -0.062656 ESP Fit Center 3916 is at 5.710867 -0.601943 -0.331280 ESP Fit Center 3917 is at 3.209284 0.471729 4.139285 ESP Fit Center 3918 is at 3.630679 0.471729 4.097782 ESP Fit Center 3919 is at 3.419981 0.836668 4.097782 ESP Fit Center 3920 is at 2.998586 0.836668 4.097782 ESP Fit Center 3921 is at 2.787889 0.471729 4.097782 ESP Fit Center 3922 is at 2.998586 0.106790 4.097782 ESP Fit Center 3923 is at 3.419981 0.106790 4.097782 ESP Fit Center 3924 is at 4.035880 0.471729 3.974865 ESP Fit Center 3925 is at 3.925137 0.885027 3.974865 ESP Fit Center 3926 is at 3.622582 1.187582 3.974865 ESP Fit Center 3927 is at 3.209284 1.298325 3.974865 ESP Fit Center 3928 is at 2.795986 1.187582 3.974865 ESP Fit Center 3929 is at 2.493430 0.885027 3.974865 ESP Fit Center 3930 is at 2.382687 0.471729 3.974865 ESP Fit Center 3931 is at 2.493430 0.058431 3.974865 ESP Fit Center 3932 is at 4.409315 0.471729 3.775260 ESP Fit Center 3933 is at 4.336945 0.882164 3.775260 ESP Fit Center 3934 is at 4.128561 1.243094 3.775260 ESP Fit Center 3935 is at 3.809299 1.510987 3.775260 ESP Fit Center 3936 is at 3.417667 1.653529 3.775260 ESP Fit Center 3937 is at 3.000900 1.653529 3.775260 ESP Fit Center 3938 is at 2.609268 1.510987 3.775260 ESP Fit Center 3939 is at 2.290006 1.243094 3.775260 ESP Fit Center 3940 is at 2.081623 0.882164 3.775260 ESP Fit Center 3941 is at 2.009252 0.471729 3.775260 ESP Fit Center 3942 is at 2.081623 0.061294 3.775260 ESP Fit Center 3943 is at 4.679996 0.883803 3.506636 ESP Fit Center 3944 is at 4.514282 1.265316 3.506636 ESP Fit Center 3945 is at 4.251782 1.587972 3.506636 ESP Fit Center 3946 is at 3.911964 1.827841 3.506636 ESP Fit Center 3947 is at 3.520032 1.967134 3.506636 ESP Fit Center 3948 is at 3.105054 1.995519 3.506636 ESP Fit Center 3949 is at 2.697805 1.910892 3.506636 ESP Fit Center 3950 is at 2.328491 1.719528 3.506636 ESP Fit Center 3951 is at 2.024501 1.435621 3.506636 ESP Fit Center 3952 is at 1.808380 1.080227 3.506636 ESP Fit Center 3953 is at 1.696159 0.679703 3.506636 ESP Fit Center 3954 is at 1.696159 0.263755 3.506636 ESP Fit Center 3955 is at 4.814225 1.277761 3.179317 ESP Fit Center 3956 is at 4.585080 1.626159 3.179317 ESP Fit Center 3957 is at 4.281765 1.912322 3.179317 ESP Fit Center 3958 is at 3.920633 2.120821 3.179317 ESP Fit Center 3959 is at 3.521151 2.240418 3.179317 ESP Fit Center 3960 is at 3.104857 2.264665 3.179317 ESP Fit Center 3961 is at 2.694192 2.192253 3.179317 ESP Fit Center 3962 is at 2.311296 2.027088 3.179317 ESP Fit Center 3963 is at 1.976811 1.778073 3.179317 ESP Fit Center 3964 is at 1.708769 1.458633 3.179317 ESP Fit Center 3965 is at 1.521620 1.085988 3.179317 ESP Fit Center 3966 is at 1.425453 0.680229 3.179317 ESP Fit Center 3967 is at 1.425453 0.263229 3.179317 ESP Fit Center 3968 is at 5.032336 1.283404 2.805882 ESP Fit Center 3969 is at 4.823742 1.644701 2.805882 ESP Fit Center 3970 is at 4.544587 1.954734 2.805882 ESP Fit Center 3971 is at 4.207074 2.199952 2.805882 ESP Fit Center 3972 is at 3.825952 2.369638 2.805882 ESP Fit Center 3973 is at 3.417879 2.456377 2.805882 ESP Fit Center 3974 is at 3.000689 2.456377 2.805882 ESP Fit Center 3975 is at 2.592616 2.369638 2.805882 ESP Fit Center 3976 is at 2.211494 2.199952 2.805882 ESP Fit Center 3977 is at 1.873980 1.954734 2.805882 ESP Fit Center 3978 is at 1.594826 1.644701 2.805882 ESP Fit Center 3979 is at 1.386231 1.283404 2.805882 ESP Fit Center 3980 is at 1.257312 0.886633 2.805882 ESP Fit Center 3981 is at 1.213704 0.471729 2.805882 ESP Fit Center 3982 is at 4.970749 1.648702 2.400680 ESP Fit Center 3983 is at 4.707287 1.969732 2.400680 ESP Fit Center 3984 is at 4.386257 2.233194 2.400680 ESP Fit Center 3985 is at 4.019997 2.428964 2.400680 ESP Fit Center 3986 is at 3.622582 2.549519 2.400680 ESP Fit Center 3987 is at 3.209284 2.590225 2.400680 ESP Fit Center 3988 is at 2.795986 2.549519 2.400680 ESP Fit Center 3989 is at 2.398570 2.428964 2.400680 ESP Fit Center 3990 is at 2.032310 2.233194 2.400680 ESP Fit Center 3991 is at 4.772549 1.962299 1.979285 ESP Fit Center 3992 is at 4.462207 2.231213 1.979285 ESP Fit Center 3993 is at 4.106580 2.436534 1.979285 ESP Fit Center 3994 is at 3.718523 2.570842 1.979285 ESP Fit Center 3995 is at 3.312061 2.629282 1.979285 ESP Fit Center 3996 is at 4.707287 1.969732 1.557890 ESP Fit Center 3997 is at 4.386257 2.233194 1.557890 ESP Fit Center 3998 is at 4.019997 2.428964 1.557890 ESP Fit Center 3999 is at 4.207074 2.199952 1.152689 ESP Fit Center 4000 is at -3.307516 0.032695 2.897040 ESP Fit Center 4001 is at -2.885143 0.032695 2.863799 ESP Fit Center 4002 is at -3.096330 0.398481 2.863799 ESP Fit Center 4003 is at -3.518703 0.398481 2.863799 ESP Fit Center 4004 is at -3.729889 0.032695 2.863799 ESP Fit Center 4005 is at -3.518703 -0.333091 2.863799 ESP Fit Center 4006 is at -3.096330 -0.333091 2.863799 ESP Fit Center 4007 is at -2.473170 0.032695 2.764893 ESP Fit Center 4008 is at -2.584952 0.449868 2.764893 ESP Fit Center 4009 is at -2.890343 0.755259 2.764893 ESP Fit Center 4010 is at -3.307516 0.867041 2.764893 ESP Fit Center 4011 is at -3.724689 -0.689870 2.764893 ESP Fit Center 4012 is at -2.584952 -0.384478 2.764893 ESP Fit Center 4013 is at -2.081742 0.032695 2.602758 ESP Fit Center 4014 is at -2.155665 0.451934 2.602758 ESP Fit Center 4015 is at -2.368519 0.820607 2.602758 ESP Fit Center 4016 is at -2.694629 1.094246 2.602758 ESP Fit Center 4017 is at -3.094663 1.239847 2.602758 ESP Fit Center 4018 is at -2.155665 -0.386545 2.602758 ESP Fit Center 4019 is at -1.720496 0.032695 2.381386 ESP Fit Center 4020 is at -1.774573 0.443446 2.381386 ESP Fit Center 4021 is at -2.896765 1.565638 2.381386 ESP Fit Center 4022 is at -3.307516 1.619715 2.381386 ESP Fit Center 4023 is at -3.307516 1.941883 2.106229 ESP Fit Center 4024 is at -5.024528 -1.317578 -1.389980 ESP Fit Center 4025 is at -4.737959 -1.618124 -1.389980 ESP Fit Center 4026 is at -4.800180 -1.157665 -1.712148 ESP Fit Center 4027 is at -4.497876 -1.459969 -1.712148 ESP Fit Center 4028 is at -4.429709 1.154887 -1.987306 ESP Fit Center 4029 is at -4.840460 -0.378056 -1.987306 ESP Fit Center 4030 is at -4.681916 -0.760815 -1.987306 ESP Fit Center 4031 is at -4.429709 -1.089498 -1.987306 ESP Fit Center 4032 is at -4.101026 -1.341705 -1.987306 ESP Fit Center 4033 is at -4.246514 0.820607 -2.208677 ESP Fit Center 4034 is at -4.459367 0.451934 -2.208677 ESP Fit Center 4035 is at -4.533291 0.032695 -2.208677 ESP Fit Center 4036 is at -4.459367 -0.386545 -2.208677 ESP Fit Center 4037 is at -4.246514 -0.755218 -2.208677 ESP Fit Center 4038 is at -3.920403 -1.028857 -2.208677 ESP Fit Center 4039 is at -4.030081 0.449868 -2.370812 ESP Fit Center 4040 is at -4.141862 0.032695 -2.370812 ESP Fit Center 4041 is at -4.030081 -0.384478 -2.370812 ESP Fit Center 4042 is at -3.724689 -0.689870 -2.370812 ESP Fit Center 4043 is at -3.729889 0.032695 -2.469718 ESP Fit Center 4044 is at -3.518703 -0.333091 -2.469718 ESP Fit Center 4045 is at -2.013559 2.923035 1.573008 ESP Fit Center 4046 is at -2.405192 3.065577 1.573008 ESP Fit Center 4047 is at -2.821958 3.065577 1.573008 ESP Fit Center 4048 is at -3.213591 2.923035 1.573008 ESP Fit Center 4049 is at -3.532853 2.655142 1.573008 ESP Fit Center 4050 is at -1.910894 3.239889 1.304384 ESP Fit Center 4051 is at -2.302826 3.379182 1.304384 ESP Fit Center 4052 is at -2.717805 3.407567 1.304384 ESP Fit Center 4053 is at -3.125054 3.322940 1.304384 ESP Fit Center 4054 is at -3.494368 3.131576 1.304384 ESP Fit Center 4055 is at -3.798358 2.847669 1.304384 ESP Fit Center 4056 is at -1.902226 3.532869 0.977065 ESP Fit Center 4057 is at -2.301707 3.652466 0.977065 ESP Fit Center 4058 is at -2.718002 3.676713 0.977065 ESP Fit Center 4059 is at -3.128666 3.604301 0.977065 ESP Fit Center 4060 is at -3.511562 3.439136 0.977065 ESP Fit Center 4061 is at -3.846047 3.190121 0.977065 ESP Fit Center 4062 is at -4.114090 2.870681 0.977065 ESP Fit Center 4063 is at -1.996907 3.781686 0.603630 ESP Fit Center 4064 is at -2.404980 3.868425 0.603630 ESP Fit Center 4065 is at -2.822170 3.868425 0.603630 ESP Fit Center 4066 is at -3.230243 3.781686 0.603630 ESP Fit Center 4067 is at -3.611365 3.612000 0.603630 ESP Fit Center 4068 is at -3.948879 3.366782 0.603630 ESP Fit Center 4069 is at -4.228033 3.056749 0.603630 ESP Fit Center 4070 is at -1.802862 3.841012 0.198429 ESP Fit Center 4071 is at -2.200277 3.961567 0.198429 ESP Fit Center 4072 is at -2.613575 4.002273 0.198429 ESP Fit Center 4073 is at -3.026873 3.961567 0.198429 ESP Fit Center 4074 is at -3.424288 3.841012 0.198429 ESP Fit Center 4075 is at -3.790548 3.645242 0.198429 ESP Fit Center 4076 is at -4.111578 3.381780 0.198429 ESP Fit Center 4077 is at -4.375040 3.060750 0.198429 ESP Fit Center 4078 is at -2.104336 3.982890 -0.222966 ESP Fit Center 4079 is at -2.510798 4.041330 -0.222966 ESP Fit Center 4080 is at -2.920975 4.021791 -0.222966 ESP Fit Center 4081 is at -3.320042 3.924979 -0.222966 ESP Fit Center 4082 is at -3.693575 3.754392 -0.222966 ESP Fit Center 4083 is at -4.028074 3.516196 -0.222966 ESP Fit Center 4084 is at -4.311450 3.219000 -0.222966 ESP Fit Center 4085 is at -4.533460 2.873546 -0.222966 ESP Fit Center 4086 is at -1.802862 3.841012 -0.644361 ESP Fit Center 4087 is at -2.200277 3.961567 -0.644361 ESP Fit Center 4088 is at -2.613575 4.002273 -0.644361 ESP Fit Center 4089 is at -3.026873 3.961567 -0.644361 ESP Fit Center 4090 is at -3.424288 3.841012 -0.644361 ESP Fit Center 4091 is at -3.790548 3.645242 -0.644361 ESP Fit Center 4092 is at -4.111578 3.381780 -0.644361 ESP Fit Center 4093 is at -4.375040 3.060750 -0.644361 ESP Fit Center 4094 is at -4.570810 2.694490 -0.644361 ESP Fit Center 4095 is at -1.996907 3.781686 -1.049562 ESP Fit Center 4096 is at -2.404980 3.868425 -1.049562 ESP Fit Center 4097 is at -2.822170 3.868425 -1.049562 ESP Fit Center 4098 is at -3.230243 3.781686 -1.049562 ESP Fit Center 4099 is at -3.611365 3.612000 -1.049562 ESP Fit Center 4100 is at -3.948879 3.366782 -1.049562 ESP Fit Center 4101 is at -4.228033 3.056749 -1.049562 ESP Fit Center 4102 is at -4.436628 2.695452 -1.049562 ESP Fit Center 4103 is at -1.902226 3.532869 -1.422998 ESP Fit Center 4104 is at -2.301707 3.652466 -1.422998 ESP Fit Center 4105 is at -2.718002 3.676713 -1.422998 ESP Fit Center 4106 is at -3.128666 3.604301 -1.422998 ESP Fit Center 4107 is at -3.511562 3.439136 -1.422998 ESP Fit Center 4108 is at -3.846047 3.190121 -1.422998 ESP Fit Center 4109 is at -4.114090 2.870681 -1.422998 ESP Fit Center 4110 is at -4.301239 2.498036 -1.422998 ESP Fit Center 4111 is at -1.910894 3.239889 -1.750317 ESP Fit Center 4112 is at -2.302826 3.379182 -1.750317 ESP Fit Center 4113 is at -2.717805 3.407567 -1.750317 ESP Fit Center 4114 is at -3.125054 3.322940 -1.750317 ESP Fit Center 4115 is at -3.494368 3.131576 -1.750317 ESP Fit Center 4116 is at -3.798358 2.847669 -1.750317 ESP Fit Center 4117 is at -4.014478 2.492275 -1.750317 ESP Fit Center 4118 is at -2.013559 2.923035 -2.018941 ESP Fit Center 4119 is at -2.405192 3.065577 -2.018941 ESP Fit Center 4120 is at -2.821958 3.065577 -2.018941 ESP Fit Center 4121 is at -3.213591 2.923035 -2.018941 ESP Fit Center 4122 is at -3.532853 2.655142 -2.018941 ESP Fit Center 4123 is at 1.099776 -2.777339 1.868804 ESP Fit Center 4124 is at 0.499760 -2.990001 1.669199 ESP Fit Center 4125 is at 0.891392 -3.132543 1.669199 ESP Fit Center 4126 is at 1.308159 -3.132543 1.669199 ESP Fit Center 4127 is at 0.218983 -3.198542 1.400575 ESP Fit Center 4128 is at 0.588297 -3.389906 1.400575 ESP Fit Center 4129 is at 0.995546 -3.474533 1.400575 ESP Fit Center 4130 is at 1.410524 -3.446147 1.400575 ESP Fit Center 4131 is at 1.802456 -3.306855 1.400575 ESP Fit Center 4132 is at 0.584684 -3.671267 1.073256 ESP Fit Center 4133 is at 0.995349 -3.743679 1.073256 ESP Fit Center 4134 is at 1.411643 -3.719432 1.073256 ESP Fit Center 4135 is at 1.811125 -3.599835 1.073256 ESP Fit Center 4136 is at 2.172257 -3.391335 1.073256 ESP Fit Center 4137 is at 0.483108 -3.848652 0.699821 ESP Fit Center 4138 is at 0.891181 -3.935391 0.699821 ESP Fit Center 4139 is at 1.308370 -3.935391 0.699821 ESP Fit Center 4140 is at 1.716444 -3.848652 0.699821 ESP Fit Center 4141 is at 2.097565 -3.678966 0.699821 ESP Fit Center 4142 is at 2.435079 -3.433748 0.699821 ESP Fit Center 4143 is at 0.289062 -3.907978 0.294620 ESP Fit Center 4144 is at 0.686477 -4.028533 0.294620 ESP Fit Center 4145 is at 1.099776 -4.069239 0.294620 ESP Fit Center 4146 is at 1.513074 -4.028533 0.294620 ESP Fit Center 4147 is at 1.910489 -3.907978 0.294620 ESP Fit Center 4148 is at 2.276749 -3.712208 0.294620 ESP Fit Center 4149 is at 0.393309 -3.991944 -0.126775 ESP Fit Center 4150 is at 0.792376 -4.088757 -0.126775 ESP Fit Center 4151 is at 1.202553 -4.108296 -0.126775 ESP Fit Center 4152 is at 1.609015 -4.049856 -0.126775 ESP Fit Center 4153 is at 1.997072 -3.915548 -0.126775 ESP Fit Center 4154 is at 2.352699 -3.710227 -0.126775 ESP Fit Center 4155 is at 0.289062 -3.907978 -0.548171 ESP Fit Center 4156 is at 0.686477 -4.028533 -0.548171 ESP Fit Center 4157 is at 1.099776 -4.069239 -0.548171 ESP Fit Center 4158 is at 1.513074 -4.028533 -0.548171 ESP Fit Center 4159 is at 1.910489 -3.907978 -0.548171 ESP Fit Center 4160 is at 2.276749 -3.712208 -0.548171 ESP Fit Center 4161 is at 0.101986 -3.678966 -0.953372 ESP Fit Center 4162 is at 0.483108 -3.848652 -0.953372 ESP Fit Center 4163 is at 0.891181 -3.935391 -0.953372 ESP Fit Center 4164 is at 1.308370 -3.935391 -0.953372 ESP Fit Center 4165 is at 1.716444 -3.848652 -0.953372 ESP Fit Center 4166 is at 2.097565 -3.678966 -0.953372 ESP Fit Center 4167 is at 0.201788 -3.506102 -1.326807 ESP Fit Center 4168 is at 0.584684 -3.671267 -1.326807 ESP Fit Center 4169 is at 0.995349 -3.743679 -1.326807 ESP Fit Center 4170 is at 1.411643 -3.719432 -1.326807 ESP Fit Center 4171 is at 1.811125 -3.599835 -1.326807 ESP Fit Center 4172 is at 0.218983 -3.198542 -1.654126 ESP Fit Center 4173 is at 0.588297 -3.389906 -1.654126 ESP Fit Center 4174 is at 0.995546 -3.474533 -1.654126 ESP Fit Center 4175 is at 1.410524 -3.446147 -1.654126 ESP Fit Center 4176 is at 1.802456 -3.306855 -1.654126 ESP Fit Center 4177 is at 0.499760 -2.990001 -1.922750 ESP Fit Center 4178 is at 0.891392 -3.132543 -1.922750 ESP Fit Center 4179 is at 1.308159 -3.132543 -1.922750 ESP Fit Center 4180 is at 1.699791 -2.990001 -1.922750 ESP Fit Center 4181 is at 1.099776 -2.777339 -2.122355 ESP Fit Center 4182 is at 1.513074 -2.666596 -2.122355 ESP Fit Center 4183 is at -1.329210 -1.701490 2.343761 ESP Fit Center 4184 is at -1.540396 -2.067276 2.343761 ESP Fit Center 4185 is at -1.029018 -2.118663 2.244856 ESP Fit Center 4186 is at -3.319064 -3.858943 0.099376 ESP Fit Center 4187 is at -3.547962 -3.717184 -0.322997 ESP Fit Center 4188 is at -3.219215 -3.967777 -0.322997 ESP Fit Center 4189 is at -3.909036 -3.268972 -0.745370 ESP Fit Center 4190 is at -3.637266 -3.587173 -0.745370 ESP Fit Center 4191 is at -3.319064 -3.858943 -0.745370 ESP Fit Center 4192 is at -2.962266 -4.077590 -0.745370 ESP Fit Center 4193 is at -4.009942 -2.923653 -1.157343 ESP Fit Center 4194 is at -3.777979 -3.278698 -1.157343 ESP Fit Center 4195 is at -3.490742 -3.590721 -1.157343 ESP Fit Center 4196 is at -3.156065 -3.851210 -1.157343 ESP Fit Center 4197 is at -2.783078 -4.053061 -1.157343 ESP Fit Center 4198 is at -2.381953 -4.190767 -1.157343 ESP Fit Center 4199 is at -0.012424 -3.590721 -1.157343 ESP Fit Center 4200 is at -2.574387 -3.962125 -1.548771 ESP Fit Center 4201 is at -2.169331 -4.070660 -1.548771 ESP Fit Center 4202 is at -1.751583 -4.107208 -1.548771 ESP Fit Center 4203 is at -1.333834 -4.070660 -1.548771 ESP Fit Center 4204 is at -0.928779 -3.962125 -1.548771 ESP Fit Center 4205 is at -0.548724 -3.784903 -1.548771 ESP Fit Center 4206 is at -0.205217 -3.544377 -1.548771 ESP Fit Center 4207 is at 0.091304 -3.247856 -1.548771 ESP Fit Center 4208 is at -1.236604 -3.824263 -1.910017 ESP Fit Center 4209 is at -0.844173 -3.688441 -1.910017 ESP Fit Center 4210 is at -0.484538 -3.480806 -1.910017 ESP Fit Center 4211 is at -0.170697 -3.208862 -1.910017 ESP Fit Center 4212 is at -0.258919 -2.891850 -2.232185 ESP Fit Center 4213 is at -0.031464 -2.529856 -2.232185 ESP Fit Center 4214 is at 2.931252 -1.268994 4.016558 ESP Fit Center 4215 is at 2.720555 -0.904055 3.975055 ESP Fit Center 4216 is at 2.509857 -1.268994 3.975055 ESP Fit Center 4217 is at 2.720555 -1.633933 3.975055 ESP Fit Center 4218 is at 3.141950 -1.633933 3.975055 ESP Fit Center 4219 is at 2.215399 -0.855696 3.852138 ESP Fit Center 4220 is at 2.104656 -1.268994 3.852138 ESP Fit Center 4221 is at 2.215399 -1.682292 3.852138 ESP Fit Center 4222 is at 2.517954 -1.984847 3.852138 ESP Fit Center 4223 is at 2.931252 -2.095590 3.852138 ESP Fit Center 4224 is at 3.344550 -1.984847 3.852138 ESP Fit Center 4225 is at 3.647105 -1.682292 3.852138 ESP Fit Center 4226 is at 1.803591 -0.858559 3.652533 ESP Fit Center 4227 is at 1.731220 -1.268994 3.652533 ESP Fit Center 4228 is at 1.803591 -1.679429 3.652533 ESP Fit Center 4229 is at 2.011974 -2.040360 3.652533 ESP Fit Center 4230 is at 2.331236 -2.308252 3.652533 ESP Fit Center 4231 is at 2.722869 -2.450795 3.652533 ESP Fit Center 4232 is at 3.139635 -2.450795 3.652533 ESP Fit Center 4233 is at 3.531268 -2.308252 3.652533 ESP Fit Center 4234 is at 3.850530 -2.040360 3.652533 ESP Fit Center 4235 is at 1.530349 -0.660496 3.383909 ESP Fit Center 4236 is at 1.418127 -1.061020 3.383909 ESP Fit Center 4237 is at 1.418127 -1.476968 3.383909 ESP Fit Center 4238 is at 1.530349 -1.877492 3.383909 ESP Fit Center 4239 is at 1.746469 -2.232887 3.383909 ESP Fit Center 4240 is at 2.050459 -2.516794 3.383909 ESP Fit Center 4241 is at 2.419774 -2.708157 3.383909 ESP Fit Center 4242 is at 2.827022 -2.792784 3.383909 ESP Fit Center 4243 is at 3.242001 -2.764399 3.383909 ESP Fit Center 4244 is at 3.633933 -2.625106 3.383909 ESP Fit Center 4245 is at 3.973750 -2.385237 3.383909 ESP Fit Center 4246 is at 1.243588 -0.654735 3.056590 ESP Fit Center 4247 is at 1.147421 -1.060494 3.056590 ESP Fit Center 4248 is at 1.147421 -1.477494 3.056590 ESP Fit Center 4249 is at 1.243588 -1.883254 3.056590 ESP Fit Center 4250 is at 1.430737 -2.255898 3.056590 ESP Fit Center 4251 is at 1.698780 -2.575339 3.056590 ESP Fit Center 4252 is at 2.033265 -2.824354 3.056590 ESP Fit Center 4253 is at 2.416161 -2.989519 3.056590 ESP Fit Center 4254 is at 2.826825 -3.061930 3.056590 ESP Fit Center 4255 is at 3.243120 -3.037684 3.056590 ESP Fit Center 4256 is at 3.642601 -2.918087 3.056590 ESP Fit Center 4257 is at 4.003734 -2.709587 3.056590 ESP Fit Center 4258 is at 4.307048 -2.423424 3.056590 ESP Fit Center 4259 is at 0.979281 -0.854090 2.683155 ESP Fit Center 4260 is at 0.935672 -1.268994 2.683155 ESP Fit Center 4261 is at 0.979281 -1.683898 2.683155 ESP Fit Center 4262 is at 1.108199 -2.080670 2.683155 ESP Fit Center 4263 is at 1.316794 -2.441966 2.683155 ESP Fit Center 4264 is at 1.595949 -2.751999 2.683155 ESP Fit Center 4265 is at 1.933462 -2.997217 2.683155 ESP Fit Center 4266 is at 2.314584 -3.166903 2.683155 ESP Fit Center 4267 is at 2.722657 -3.253642 2.683155 ESP Fit Center 4268 is at 3.139847 -3.253642 2.683155 ESP Fit Center 4269 is at 3.547920 -3.166903 2.683155 ESP Fit Center 4270 is at 3.929042 -2.997217 2.683155 ESP Fit Center 4271 is at 4.266556 -2.751999 2.683155 ESP Fit Center 4272 is at 1.169787 -2.445968 2.277953 ESP Fit Center 4273 is at 1.433249 -2.766997 2.277953 ESP Fit Center 4274 is at 1.754279 -3.030459 2.277953 ESP Fit Center 4275 is at 2.120539 -3.226229 2.277953 ESP Fit Center 4276 is at 2.517954 -3.346784 2.277953 ESP Fit Center 4277 is at 2.931252 -3.387490 2.277953 ESP Fit Center 4278 is at 3.344550 -3.346784 2.277953 ESP Fit Center 4279 is at 3.741966 -3.226229 2.277953 ESP Fit Center 4280 is at 4.108226 -3.030459 2.277953 ESP Fit Center 4281 is at 1.516753 -2.901413 1.856558 ESP Fit Center 4282 is at 1.851252 -3.139609 1.856558 ESP Fit Center 4283 is at 2.224785 -3.310196 1.856558 ESP Fit Center 4284 is at 2.623852 -3.407008 1.856558 ESP Fit Center 4285 is at 3.034029 -3.426548 1.856558 ESP Fit Center 4286 is at 3.440491 -3.368107 1.856558 ESP Fit Center 4287 is at 3.828549 -3.233799 1.856558 ESP Fit Center 4288 is at 4.184175 -3.028478 1.856558 ESP Fit Center 4289 is at 2.120539 -3.226229 1.435163 ESP Fit Center 4290 is at 2.517954 -3.346784 1.435163 ESP Fit Center 4291 is at 2.931252 -3.387490 1.435163 ESP Fit Center 4292 is at 3.344550 -3.346784 1.435163 ESP Fit Center 4293 is at 3.741966 -3.226229 1.435163 ESP Fit Center 4294 is at 2.722657 -3.253642 1.029962 ESP Fit Center 4295 is at 3.139847 -3.253642 1.029962 ESP Fit Center 4296 is at 5.479405 -1.241319 -2.072472 ESP Fit Center 4297 is at 5.438698 -0.828021 -2.072472 ESP Fit Center 4298 is at 5.318144 -0.430606 -2.072472 ESP Fit Center 4299 is at 5.122374 -0.064346 -2.072472 ESP Fit Center 4300 is at 5.438698 -1.654618 -2.072472 ESP Fit Center 4301 is at 5.356488 -1.241319 -2.477673 ESP Fit Center 4302 is at 5.312880 -0.826415 -2.477673 ESP Fit Center 4303 is at 5.183961 -0.429644 -2.477673 ESP Fit Center 4304 is at 4.975366 -0.068347 -2.477673 ESP Fit Center 4305 is at 4.696212 0.241685 -2.477673 ESP Fit Center 4306 is at 4.358698 0.486903 -2.477673 ESP Fit Center 4307 is at 1.537855 -2.052995 -2.477673 ESP Fit Center 4308 is at 1.746450 -2.414292 -2.477673 ESP Fit Center 4309 is at 2.025605 -2.724324 -2.477673 ESP Fit Center 4310 is at 2.363118 -2.969542 -2.477673 ESP Fit Center 4311 is at 2.744240 -3.139229 -2.477673 ESP Fit Center 4312 is at 3.152313 -3.225967 -2.477673 ESP Fit Center 4313 is at 3.569503 -3.225967 -2.477673 ESP Fit Center 4314 is at 3.977576 -3.139229 -2.477673 ESP Fit Center 4315 is at 4.358698 -2.969542 -2.477673 ESP Fit Center 4316 is at 4.696212 -2.724324 -2.477673 ESP Fit Center 4317 is at 4.975366 -2.414292 -2.477673 ESP Fit Center 4318 is at 5.183961 -2.052995 -2.477673 ESP Fit Center 4319 is at 5.312880 -1.656224 -2.477673 ESP Fit Center 4320 is at 5.156883 -1.241319 -2.851109 ESP Fit Center 4321 is at 5.108472 -0.827139 -2.851109 ESP Fit Center 4322 is at 4.965850 -0.435288 -2.851109 ESP Fit Center 4323 is at 4.736705 -0.086889 -2.851109 ESP Fit Center 4324 is at 4.433390 0.199273 -2.851109 ESP Fit Center 4325 is at 4.072257 0.407773 -2.851109 ESP Fit Center 4326 is at 3.672776 0.527370 -2.851109 ESP Fit Center 4327 is at 3.256482 0.551616 -2.851109 ESP Fit Center 4328 is at 2.845817 0.479205 -2.851109 ESP Fit Center 4329 is at 2.462921 0.314040 -2.851109 ESP Fit Center 4330 is at 2.128436 0.065025 -2.851109 ESP Fit Center 4331 is at 1.860394 -0.254415 -2.851109 ESP Fit Center 4332 is at 1.673244 -0.627060 -2.851109 ESP Fit Center 4333 is at 1.577078 -1.032820 -2.851109 ESP Fit Center 4334 is at 1.577078 -1.449819 -2.851109 ESP Fit Center 4335 is at 1.673244 -1.855579 -2.851109 ESP Fit Center 4336 is at 1.860394 -2.228223 -2.851109 ESP Fit Center 4337 is at 2.128436 -2.547664 -2.851109 ESP Fit Center 4338 is at 2.462921 -2.796679 -2.851109 ESP Fit Center 4339 is at 2.845817 -2.961844 -2.851109 ESP Fit Center 4340 is at 3.256482 -3.034255 -2.851109 ESP Fit Center 4341 is at 3.672776 -3.010009 -2.851109 ESP Fit Center 4342 is at 4.072257 -2.890412 -2.851109 ESP Fit Center 4343 is at 4.433390 -2.681912 -2.851109 ESP Fit Center 4344 is at 4.736705 -2.395750 -2.851109 ESP Fit Center 4345 is at 4.965850 -2.047351 -2.851109 ESP Fit Center 4346 is at 5.108472 -1.655500 -2.851109 ESP Fit Center 4347 is at 4.888259 -1.241319 -3.178428 ESP Fit Center 4348 is at 4.831621 -0.829245 -3.178428 ESP Fit Center 4349 is at 4.665906 -0.447733 -3.178428 ESP Fit Center 4350 is at 4.403406 -0.125077 -3.178428 ESP Fit Center 4351 is at 4.063589 0.114793 -3.178428 ESP Fit Center 4352 is at 3.671657 0.254085 -3.178428 ESP Fit Center 4353 is at 3.256678 0.282471 -3.178428 ESP Fit Center 4354 is at 2.849430 0.197843 -3.178428 ESP Fit Center 4355 is at 2.480115 0.006480 -3.178428 ESP Fit Center 4356 is at 2.176125 -0.277427 -3.178428 ESP Fit Center 4357 is at 1.960005 -0.632821 -3.178428 ESP Fit Center 4358 is at 1.847783 -1.033345 -3.178428 ESP Fit Center 4359 is at 1.847783 -1.449294 -3.178428 ESP Fit Center 4360 is at 1.960005 -1.849818 -3.178428 ESP Fit Center 4361 is at 2.176125 -2.205212 -3.178428 ESP Fit Center 4362 is at 2.480115 -2.489119 -3.178428 ESP Fit Center 4363 is at 2.849430 -2.680482 -3.178428 ESP Fit Center 4364 is at 3.256678 -2.765109 -3.178428 ESP Fit Center 4365 is at 3.671657 -2.736724 -3.178428 ESP Fit Center 4366 is at 4.063589 -2.597432 -3.178428 ESP Fit Center 4367 is at 4.403406 -2.357562 -3.178428 ESP Fit Center 4368 is at 4.665906 -2.034906 -3.178428 ESP Fit Center 4369 is at 4.831621 -1.653394 -3.178428 ESP Fit Center 4370 is at 4.560940 -1.241319 -3.447051 ESP Fit Center 4371 is at 4.488569 -0.830884 -3.447051 ESP Fit Center 4372 is at 4.280186 -0.469954 -3.447051 ESP Fit Center 4373 is at 3.960924 -0.202061 -3.447051 ESP Fit Center 4374 is at 3.569292 -0.059519 -3.447051 ESP Fit Center 4375 is at 3.152525 -0.059519 -3.447051 ESP Fit Center 4376 is at 2.760892 -0.202061 -3.447051 ESP Fit Center 4377 is at 2.441631 -0.469954 -3.447051 ESP Fit Center 4378 is at 2.233247 -0.830884 -3.447051 ESP Fit Center 4379 is at 2.160877 -1.241319 -3.447051 ESP Fit Center 4380 is at 2.233247 -1.651754 -3.447051 ESP Fit Center 4381 is at 2.441631 -2.012685 -3.447051 ESP Fit Center 4382 is at 2.760892 -2.280577 -3.447051 ESP Fit Center 4383 is at 3.152525 -2.423120 -3.447051 ESP Fit Center 4384 is at 3.569292 -2.423120 -3.447051 ESP Fit Center 4385 is at 3.960924 -2.280577 -3.447051 ESP Fit Center 4386 is at 4.280186 -2.012685 -3.447051 ESP Fit Center 4387 is at 4.488569 -1.651754 -3.447051 ESP Fit Center 4388 is at 4.187505 -1.241319 -3.646657 ESP Fit Center 4389 is at 4.076762 -0.828021 -3.646657 ESP Fit Center 4390 is at 3.774206 -0.525466 -3.646657 ESP Fit Center 4391 is at 3.360908 -0.414723 -3.646657 ESP Fit Center 4392 is at 2.947610 -0.525466 -3.646657 ESP Fit Center 4393 is at 2.645055 -0.828021 -3.646657 ESP Fit Center 4394 is at 2.534312 -1.241319 -3.646657 ESP Fit Center 4395 is at 2.645055 -1.654618 -3.646657 ESP Fit Center 4396 is at 2.947610 -1.957173 -3.646657 ESP Fit Center 4397 is at 3.360908 -2.067916 -3.646657 ESP Fit Center 4398 is at 3.774206 -1.957173 -3.646657 ESP Fit Center 4399 is at 4.076762 -1.654618 -3.646657 ESP Fit Center 4400 is at 3.782303 -1.241319 -3.769573 ESP Fit Center 4401 is at 3.571606 -0.876381 -3.769573 ESP Fit Center 4402 is at 3.150211 -0.876381 -3.769573 ESP Fit Center 4403 is at 2.939513 -1.241319 -3.769573 ESP Fit Center 4404 is at 3.150211 -1.606258 -3.769573 ESP Fit Center 4405 is at 3.571606 -1.606258 -3.769573 ESP Fit Center 4406 is at 3.360908 -1.241319 -3.811077 ESP Fit Center 4407 is at -4.412858 0.376805 2.951618 ESP Fit Center 4408 is at -3.998080 0.376805 2.917248 ESP Fit Center 4409 is at -4.205469 0.736014 2.917248 ESP Fit Center 4410 is at -4.620247 0.736014 2.917248 ESP Fit Center 4411 is at -4.827636 0.376805 2.917248 ESP Fit Center 4412 is at -4.620247 0.017597 2.917248 ESP Fit Center 4413 is at -4.205469 0.017597 2.917248 ESP Fit Center 4414 is at -3.704239 0.785927 2.815077 ESP Fit Center 4415 is at -4.003737 1.085424 2.815077 ESP Fit Center 4416 is at -4.412858 1.195048 2.815077 ESP Fit Center 4417 is at -4.821979 1.085424 2.815077 ESP Fit Center 4418 is at -5.121477 0.785927 2.815077 ESP Fit Center 4419 is at -5.231101 0.376805 2.815077 ESP Fit Center 4420 is at -5.121477 -0.032316 2.815077 ESP Fit Center 4421 is at -4.821979 -0.331813 2.815077 ESP Fit Center 4422 is at -4.412858 -0.441437 2.815077 ESP Fit Center 4423 is at -4.003737 -0.331813 2.815077 ESP Fit Center 4424 is at -3.813164 1.415505 2.647892 ESP Fit Center 4425 is at -4.204587 1.557971 2.647892 ESP Fit Center 4426 is at -4.621130 1.557971 2.647892 ESP Fit Center 4427 is at -5.012552 1.415505 2.647892 ESP Fit Center 4428 is at -5.331642 1.147757 2.647892 ESP Fit Center 4429 is at -5.539914 0.787020 2.647892 ESP Fit Center 4430 is at -5.612246 0.376805 2.647892 ESP Fit Center 4431 is at -5.539914 -0.033409 2.647892 ESP Fit Center 4432 is at -5.331642 -0.394146 2.647892 ESP Fit Center 4433 is at -5.012552 -0.661895 2.647892 ESP Fit Center 4434 is at -4.621130 -0.804361 2.647892 ESP Fit Center 4435 is at -4.204587 -0.804361 2.647892 ESP Fit Center 4436 is at -3.700762 1.751088 2.420252 ESP Fit Center 4437 is at -4.097946 1.892247 2.420252 ESP Fit Center 4438 is at -4.518485 1.921013 2.420252 ESP Fit Center 4439 is at -4.931190 1.835252 2.420252 ESP Fit Center 4440 is at -5.305453 1.641325 2.420252 ESP Fit Center 4441 is at -5.613516 1.353613 2.420252 ESP Fit Center 4442 is at -5.832532 0.993457 2.420252 ESP Fit Center 4443 is at -5.946258 0.587566 2.420252 ESP Fit Center 4444 is at -5.946258 0.166045 2.420252 ESP Fit Center 4445 is at -5.832532 -0.239846 2.420252 ESP Fit Center 4446 is at -5.613516 -0.600003 2.420252 ESP Fit Center 4447 is at -5.305453 -0.887714 2.420252 ESP Fit Center 4448 is at -4.931190 -1.081641 2.420252 ESP Fit Center 4449 is at -4.518485 -1.167402 2.420252 ESP Fit Center 4450 is at -3.678517 2.079200 2.138368 ESP Fit Center 4451 is at -4.090910 2.202663 2.138368 ESP Fit Center 4452 is at -4.520660 2.227693 2.138368 ESP Fit Center 4453 is at -4.944598 2.152941 2.138368 ESP Fit Center 4454 is at -5.339870 1.982438 2.138368 ESP Fit Center 4455 is at -5.685167 1.725374 2.138368 ESP Fit Center 4456 is at -5.961873 1.395608 2.138368 ESP Fit Center 4457 is at -6.155071 1.010919 2.138368 ESP Fit Center 4458 is at -6.254346 0.592045 2.138368 ESP Fit Center 4459 is at -6.254346 0.161566 2.138368 ESP Fit Center 4460 is at -6.155071 -0.257308 2.138368 ESP Fit Center 4461 is at -5.961873 -0.641998 2.138368 ESP Fit Center 4462 is at -5.685167 -0.971763 2.138368 ESP Fit Center 4463 is at -5.339870 -1.228827 2.138368 ESP Fit Center 4464 is at -4.944598 -1.399330 2.138368 ESP Fit Center 4465 is at -3.680162 2.355143 1.809927 ESP Fit Center 4466 is at -4.093397 2.462137 1.809927 ESP Fit Center 4467 is at -4.519711 2.483757 1.809927 ESP Fit Center 4468 is at -4.941650 2.419119 1.809927 ESP Fit Center 4469 is at -5.341940 2.270867 1.809927 ESP Fit Center 4470 is at -5.704193 2.045073 1.809927 ESP Fit Center 4471 is at -6.013579 1.750980 1.809927 ESP Fit Center 4472 is at -6.257432 1.400627 1.809927 ESP Fit Center 4473 is at -6.425767 1.008360 1.809927 ESP Fit Center 4474 is at -6.511694 0.590236 1.809927 ESP Fit Center 4475 is at -6.511694 0.163375 1.809927 ESP Fit Center 4476 is at -6.425767 -0.254749 1.809927 ESP Fit Center 4477 is at -6.257432 -0.647016 1.809927 ESP Fit Center 4478 is at -6.013579 -0.997369 1.809927 ESP Fit Center 4479 is at -5.704193 -1.291462 1.809927 ESP Fit Center 4480 is at -5.341940 -1.517256 1.809927 ESP Fit Center 4481 is at -4.941650 -1.665508 1.809927 ESP Fit Center 4482 is at -4.199926 2.674710 1.443890 ESP Fit Center 4483 is at -4.625790 2.674710 1.443890 ESP Fit Center 4484 is at -5.044404 2.596457 1.443890 ESP Fit Center 4485 is at -5.441510 2.442617 1.443890 ESP Fit Center 4486 is at -5.803587 2.218429 1.443890 ESP Fit Center 4487 is at -6.118305 1.931526 1.443890 ESP Fit Center 4488 is at -6.374946 1.591679 1.443890 ESP Fit Center 4489 is at -6.564770 1.210460 1.443890 ESP Fit Center 4490 is at -6.681313 0.800853 1.443890 ESP Fit Center 4491 is at -6.720607 0.376805 1.443890 ESP Fit Center 4492 is at -6.681313 -0.047242 1.443890 ESP Fit Center 4493 is at -6.564770 -0.456850 1.443890 ESP Fit Center 4494 is at -6.374946 -0.838068 1.443890 ESP Fit Center 4495 is at -6.118305 -1.177915 1.443890 ESP Fit Center 4496 is at -5.803587 -1.464818 1.443890 ESP Fit Center 4497 is at -5.441510 -1.689007 1.443890 ESP Fit Center 4498 is at -4.412858 2.819694 1.050241 ESP Fit Center 4499 is at -4.837061 2.782581 1.050241 ESP Fit Center 4500 is at -5.248375 2.672370 1.050241 ESP Fit Center 4501 is at -5.634302 2.492409 1.050241 ESP Fit Center 4502 is at -5.983117 2.248167 1.050241 ESP Fit Center 4503 is at -6.284219 1.947064 1.050241 ESP Fit Center 4504 is at -6.528462 1.598250 1.050241 ESP Fit Center 4505 is at -6.708423 1.212323 1.050241 ESP Fit Center 4506 is at -6.818634 0.801009 1.050241 ESP Fit Center 4507 is at -6.855747 0.376805 1.050241 ESP Fit Center 4508 is at 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4706 is at -1.190304 -1.872040 -3.356380 ESP Fit Center 4707 is at -1.301047 -1.458742 -3.356380 ESP Fit Center 4708 is at -1.603602 -1.156186 -3.356380 ESP Fit Center 4709 is at -2.016900 -1.045443 -3.356380 ESP Fit Center 4710 is at -2.430198 -1.156186 -3.356380 ESP Fit Center 4711 is at -2.732753 -1.458742 -3.356380 ESP Fit Center 4712 is at -2.843496 -1.872040 -3.356380 ESP Fit Center 4713 is at -2.732753 -2.285338 -3.356380 ESP Fit Center 4714 is at -2.430198 -2.587893 -3.356380 ESP Fit Center 4715 is at -2.016900 -2.698636 -3.356380 ESP Fit Center 4716 is at -1.603602 -2.587893 -3.356380 ESP Fit Center 4717 is at -1.301047 -2.285338 -3.356380 ESP Fit Center 4718 is at -1.595505 -1.872040 -3.479297 ESP Fit Center 4719 is at -1.806202 -1.507101 -3.479297 ESP Fit Center 4720 is at -2.227598 -1.507101 -3.479297 ESP Fit Center 4721 is at -2.438295 -1.872040 -3.479297 ESP Fit Center 4722 is at -2.227598 -2.236978 -3.479297 ESP Fit Center 4723 is at -1.806202 -2.236978 -3.479297 ESP Fit 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4742 is at -1.782199 -0.814420 2.563997 ESP Fit Center 4743 is at -1.990470 -0.453683 2.563997 ESP Fit Center 4744 is at -4.108642 -1.224635 2.563997 ESP Fit Center 4745 is at -4.036310 -1.634849 2.563997 ESP Fit Center 4746 is at -3.828039 -1.995586 2.563997 ESP Fit Center 4747 is at -3.508948 -2.263335 2.563997 ESP Fit Center 4748 is at -3.117526 -2.405801 2.563997 ESP Fit Center 4749 is at -2.700983 -2.405801 2.563997 ESP Fit Center 4750 is at -2.309561 -2.263335 2.563997 ESP Fit Center 4751 is at -1.990470 -1.995586 2.563997 ESP Fit Center 4752 is at -1.782199 -1.634849 2.563997 ESP Fit Center 4753 is at -1.586770 -0.420414 2.336357 ESP Fit Center 4754 is at -4.442654 -1.435396 2.336357 ESP Fit Center 4755 is at -4.328929 -1.841286 2.336357 ESP Fit Center 4756 is at -4.109913 -2.201443 2.336357 ESP Fit Center 4757 is at -3.801850 -2.489154 2.336357 ESP Fit Center 4758 is at -3.427587 -2.683081 2.336357 ESP Fit Center 4759 is at -3.014881 -2.768842 2.336357 ESP Fit Center 4760 is at 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-2.439508 1.359996 ESP Fit Center 4779 is at -4.614701 -2.779355 1.359996 ESP Fit Center 4780 is at -4.299984 -3.066258 1.359996 ESP Fit Center 4781 is at -3.937907 -3.290447 1.359996 ESP Fit Center 4782 is at -3.540800 -3.444287 1.359996 ESP Fit Center 4783 is at -3.122187 -3.522539 1.359996 ESP Fit Center 4784 is at -5.204819 -2.060152 0.966347 ESP Fit Center 4785 is at -5.024858 -2.446079 0.966347 ESP Fit Center 4786 is at -4.780616 -2.794893 0.966347 ESP Fit Center 4787 is at -4.479513 -3.095996 0.966347 ESP Fit Center 4788 is at -4.130699 -3.340238 0.966347 ESP Fit Center 4789 is at -3.744772 -3.520199 0.966347 ESP Fit Center 4790 is at -3.333458 -3.630410 0.966347 ESP Fit Center 4791 is at -5.197707 -2.259081 0.555823 ESP Fit Center 4792 is at -4.989968 -2.630951 0.555823 ESP Fit Center 4793 is at -4.722370 -2.962365 0.555823 ESP Fit Center 4794 is at -4.402612 -3.243787 0.555823 ESP Fit Center 4795 is at -4.039893 -3.467122 0.555823 ESP Fit Center 4796 is at -3.644648 -3.625945 0.555823 ESP Fit Center 4797 is at -5.197707 -2.259081 0.139623 ESP Fit Center 4798 is at -4.989968 -2.630951 0.139623 ESP Fit Center 4799 is at -4.722370 -2.962365 0.139623 ESP Fit Center 4800 is at -4.402612 -3.243787 0.139623 ESP Fit Center 4801 is at -4.039893 -3.467122 0.139623 ESP Fit Center 4802 is at -3.644648 -3.625945 0.139623 ESP Fit Center 4803 is at -5.204819 -2.060152 -0.270900 ESP Fit Center 4804 is at -5.024858 -2.446079 -0.270900 ESP Fit Center 4805 is at -4.780616 -2.794893 -0.270900 ESP Fit Center 4806 is at -4.479513 -3.095996 -0.270900 ESP Fit Center 4807 is at -4.130699 -3.340238 -0.270900 ESP Fit Center 4808 is at -5.061166 -2.058290 -0.664549 ESP Fit Center 4809 is at -4.871342 -2.439508 -0.664549 ESP Fit Center 4810 is at -4.614701 -2.779355 -0.664549 ESP Fit Center 4811 is at -4.299984 -3.066258 -0.664549 ESP Fit Center 4812 is at -3.937907 -3.290447 -0.664549 ESP Fit Center 4813 is at -4.922163 -1.856189 -1.030586 ESP Fit Center 4814 is at -4.753828 -2.248457 -1.030586 ESP Fit Center 4815 is at -4.509976 -2.598809 -1.030586 ESP Fit Center 4816 is at -4.200590 -2.892902 -1.030586 ESP Fit Center 4817 is at -4.651467 -1.858748 -1.359026 ESP Fit Center 4818 is at -4.458269 -2.243438 -1.359026 ESP Fit Center 4819 is at -4.181563 -2.573203 -1.359026 ESP Fit Center 4820 is at -4.328929 -1.841286 -1.640911 ESP Fit Center 4821 is at -1.520966 -2.652051 2.291820 ESP Fit Center 4822 is at -1.099571 -2.652051 2.250317 ESP Fit Center 4823 is at -1.942361 -2.652051 2.250317 ESP Fit Center 4824 is at -1.731664 -3.016990 2.250317 ESP Fit Center 4825 is at -1.310269 -3.016990 2.250317 ESP Fit Center 4826 is at -0.694370 -2.652051 2.127400 ESP Fit Center 4827 is at -2.236819 -3.065349 2.127400 ESP Fit Center 4828 is at -1.934264 -3.367904 2.127400 ESP Fit Center 4829 is at -1.520966 -3.478647 2.127400 ESP Fit Center 4830 is at -1.107668 -3.367904 2.127400 ESP Fit Center 4831 is at -0.805113 -3.065349 2.127400 ESP Fit Center 4832 is at -0.320934 -2.652051 1.927795 ESP Fit Center 4833 is at -2.440244 -3.423417 1.927795 ESP Fit Center 4834 is at -2.120982 -3.691309 1.927795 ESP Fit Center 4835 is at -1.729349 -3.833852 1.927795 ESP Fit Center 4836 is at -1.312583 -3.833852 1.927795 ESP Fit Center 4837 is at -0.920950 -3.691309 1.927795 ESP Fit Center 4838 is at -0.601688 -3.423417 1.927795 ESP Fit Center 4839 is at -0.393305 -3.062486 1.927795 ESP Fit Center 4840 is at -2.705749 -3.615944 1.659171 ESP Fit Center 4841 is at -2.401759 -3.899850 1.659171 ESP Fit Center 4842 is at -2.032445 -4.091214 1.659171 ESP Fit Center 4843 is at -1.625196 -4.175841 1.659171 ESP Fit Center 4844 is at -1.210217 -4.147456 1.659171 ESP Fit Center 4845 is at -0.818285 -4.008163 1.659171 ESP Fit Center 4846 is at -0.478468 -3.768294 1.659171 ESP Fit Center 4847 is at -0.215968 -3.445638 1.659171 ESP Fit Center 4848 is at -0.050254 -3.064125 1.659171 ESP Fit Center 4849 is at -3.021481 -3.638955 1.331852 ESP Fit Center 4850 is at -2.753438 -3.958395 1.331852 ESP Fit Center 4851 is at -2.418953 -4.207410 1.331852 ESP Fit Center 4852 is at -2.036057 -4.372576 1.331852 ESP Fit Center 4853 is at -1.625393 -4.444987 1.331852 ESP Fit Center 4854 is at -1.209098 -4.420740 1.331852 ESP Fit Center 4855 is at -0.809617 -4.301144 1.331852 ESP Fit Center 4856 is at -0.448485 -4.092644 1.331852 ESP Fit Center 4857 is at -0.145170 -3.806481 1.331852 ESP Fit Center 4858 is at 0.083975 -3.458083 1.331852 ESP Fit Center 4859 is at -3.135424 -3.825023 0.958417 ESP Fit Center 4860 is at -2.856270 -4.135056 0.958417 ESP Fit Center 4861 is at -2.518756 -4.380274 0.958417 ESP Fit Center 4862 is at -2.137634 -4.549960 0.958417 ESP Fit Center 4863 is at -1.729561 -4.636699 0.958417 ESP Fit Center 4864 is at -1.312371 -4.636699 0.958417 ESP Fit Center 4865 is at -0.904298 -4.549960 0.958417 ESP Fit Center 4866 is at -0.523176 -4.380274 0.958417 ESP Fit Center 4867 is at -0.185663 -4.135056 0.958417 ESP Fit Center 4868 is at 0.093492 -3.825023 0.958417 ESP Fit Center 4869 is at -3.282431 -3.829024 0.553215 ESP Fit Center 4870 is at -3.018969 -4.150054 0.553215 ESP Fit Center 4871 is at -2.697939 -4.413516 0.553215 ESP Fit Center 4872 is at -2.331679 -4.609286 0.553215 ESP Fit Center 4873 is at -1.934264 -4.729841 0.553215 ESP Fit Center 4874 is at -1.520966 -4.770547 0.553215 ESP Fit Center 4875 is at -1.107668 -4.729841 0.553215 ESP Fit Center 4876 is at -0.710253 -4.609286 0.553215 ESP Fit Center 4877 is at -0.343993 -4.413516 0.553215 ESP Fit Center 4878 is at -0.022963 -4.150054 0.553215 ESP Fit Center 4879 is at 0.240499 -3.829024 0.553215 ESP Fit Center 4880 is at -3.218841 -3.987274 0.131820 ESP Fit Center 4881 is at -2.935465 -4.284470 0.131820 ESP Fit Center 4882 is at -2.600966 -4.522666 0.131820 ESP Fit Center 4883 is at -2.227433 -4.693253 0.131820 ESP Fit Center 4884 is at -1.828366 -4.790065 0.131820 ESP Fit Center 4885 is at -1.418189 -4.809604 0.131820 ESP Fit Center 4886 is at -1.011727 -4.751164 0.131820 ESP Fit Center 4887 is at -0.623670 -4.616856 0.131820 ESP Fit Center 4888 is at -0.268043 -4.411535 0.131820 ESP Fit Center 4889 is at 0.042299 -4.142622 0.131820 ESP Fit Center 4890 is at -3.018969 -4.150054 -0.289575 ESP Fit Center 4891 is at -2.697939 -4.413516 -0.289575 ESP Fit Center 4892 is at -2.331679 -4.609286 -0.289575 ESP Fit Center 4893 is at -1.934264 -4.729841 -0.289575 ESP Fit Center 4894 is at -1.520966 -4.770547 -0.289575 ESP Fit Center 4895 is at -1.107668 -4.729841 -0.289575 ESP Fit Center 4896 is at -0.710253 -4.609286 -0.289575 ESP Fit Center 4897 is at -0.343993 -4.413516 -0.289575 ESP Fit Center 4898 is at -0.022963 -4.150054 -0.289575 ESP Fit Center 4899 is at -2.518756 -4.380274 -0.694776 ESP Fit Center 4900 is at -2.137634 -4.549960 -0.694776 ESP Fit Center 4901 is at -1.729561 -4.636699 -0.694776 ESP Fit Center 4902 is at -1.312371 -4.636699 -0.694776 ESP Fit Center 4903 is at -0.904298 -4.549960 -0.694776 ESP Fit Center 4904 is at -0.523176 -4.380274 -0.694776 ESP Fit Center 4905 is at -0.185663 -4.135056 -0.694776 ESP Fit Center 4906 is at 0.093492 -3.825023 -0.694776 ESP Fit Center 4907 is at -2.036057 -4.372576 -1.068211 ESP Fit Center 4908 is at -1.625393 -4.444987 -1.068211 ESP Fit Center 4909 is at -1.209098 -4.420740 -1.068211 ESP Fit Center 4910 is at -0.809617 -4.301144 -1.068211 ESP Fit Center 4911 is at -0.448485 -4.092644 -1.068211 ESP Fit Center 4912 is at -0.145170 -3.806481 -1.068211 ESP Fit Center 4913 is at -1.210217 -4.147456 -1.395530 ESP Fit Center 4914 is at -0.818285 -4.008163 -1.395530 ESP Fit Center 4915 is at 5.965176 -0.243276 -0.641912 ESP Fit Center 4916 is at 5.936591 0.165510 -0.641912 ESP Fit Center 4917 is at 5.854706 -0.243276 -1.036183 ESP Fit Center 4918 is at 5.824582 0.168307 -1.036183 ESP Fit Center 4919 is at 2.820379 0.933769 -2.783178 ESP Fit Center 4920 is at 3.444107 -0.421337 4.414181 ESP Fit Center 4921 is at 3.852607 -0.421337 4.386239 ESP Fit Center 4922 is at 3.648357 -0.067565 4.386239 ESP Fit Center 4923 is at 3.239857 -0.067565 4.386239 ESP Fit Center 4924 is at 3.035607 -0.421337 4.386239 ESP Fit Center 4925 is at 3.239857 -0.775108 4.386239 ESP Fit Center 4926 is at 3.648357 -0.775108 4.386239 ESP Fit Center 4927 is at 4.253497 -0.421337 4.302933 ESP Fit Center 4928 is at 4.145060 -0.016641 4.302933 ESP Fit Center 4929 is at 3.848802 0.279616 4.302933 ESP Fit Center 4930 is at 2.743154 -0.016641 4.302933 ESP Fit Center 4931 is at 2.634717 -0.421337 4.302933 ESP Fit Center 4932 is at 2.743154 -0.826032 4.302933 ESP Fit Center 4933 is at 3.039412 -1.122289 4.302933 ESP Fit Center 4934 is at 3.444107 -1.230727 4.302933 ESP Fit Center 4935 is at 3.848802 -1.122289 4.302933 ESP Fit Center 4936 is at 4.145060 -0.826032 4.302933 ESP Fit Center 4937 is at 4.639310 -0.421337 4.165815 ESP Fit Center 4938 is at 4.567231 -0.012553 4.165815 ESP Fit Center 4939 is at 4.359686 0.346925 4.165815 ESP Fit Center 4940 is at 2.320983 -0.012553 4.165815 ESP Fit Center 4941 is at 2.248904 -0.421337 4.165815 ESP Fit Center 4942 is at 2.320983 -0.830120 4.165815 ESP Fit Center 4943 is at 3.651652 -1.598382 4.165815 ESP Fit Center 4944 is at 4.041709 -1.456413 4.165815 ESP Fit Center 4945 is at 4.359686 -1.189598 4.165815 ESP Fit Center 4946 is at 4.567231 -0.830120 4.165815 ESP Fit Center 4947 is at 5.002859 -0.421337 3.977439 ESP Fit Center 4948 is at 4.945056 -0.000790 3.977439 ESP Fit Center 4949 is at 4.775935 0.388566 3.977439 ESP Fit Center 4950 is at 1.899874 -0.209087 3.977439 ESP Fit Center 4951 is at 1.899874 -0.633587 3.977439 ESP Fit Center 4952 is at 4.161234 -1.805329 3.977439 ESP Fit Center 4953 is at 4.508038 -1.560529 3.977439 ESP Fit Center 4954 is at 4.775935 -1.231239 3.977439 ESP Fit Center 4955 is at 4.945056 -0.841883 3.977439 ESP Fit Center 4956 is at 5.337371 -0.421337 3.741315 ESP Fit Center 4957 is at 5.293107 -0.014341 3.741315 ESP Fit Center 4958 is at 5.162387 0.373624 3.741315 ESP Fit Center 4959 is at 4.951321 0.724418 3.741315 ESP Fit Center 4960 is at 1.561942 -0.216639 3.741315 ESP Fit Center 4961 is at 1.561942 -0.626034 3.741315 ESP Fit Center 4962 is at 4.330928 -2.094058 3.741315 ESP Fit Center 4963 is at 4.669780 -1.864310 3.741315 ESP Fit Center 4964 is at 4.951321 -1.567091 3.741315 ESP Fit Center 4965 is at 5.162387 -1.216297 3.741315 ESP Fit Center 4966 is at 5.293107 -0.828332 3.741315 ESP Fit Center 4967 is at 5.479561 0.393536 3.461841 ESP Fit Center 4968 is at 5.288562 0.764023 3.461841 ESP Fit Center 4969 is at 5.030900 1.091667 3.461841 ESP Fit Center 4970 is at 1.340411 0.196364 3.461841 ESP Fit Center 4971 is at 1.261527 -0.212926 3.461841 ESP Fit Center 4972 is at 1.261527 -0.629748 3.461841 ESP Fit Center 4973 is at 4.354908 -2.415712 3.461841 ESP Fit Center 4974 is at 4.715886 -2.207301 3.461841 ESP Fit Center 4975 is at 5.030900 -1.934340 3.461841 ESP Fit Center 4976 is at 5.583786 0.773960 3.144222 ESP Fit Center 4977 is at 5.351002 1.118374 3.144222 ESP Fit Center 4978 is at 1.072281 0.196239 3.144222 ESP Fit Center 4979 is at 1.002027 -0.213485 3.144222 ESP Fit Center 4980 is at 1.002027 -0.629188 3.144222 ESP Fit Center 4981 is at 4.729137 -2.508358 3.144222 ESP Fit Center 4982 is at 5.063361 -2.261167 3.144222 ESP Fit Center 4983 is at 5.599050 1.144321 2.794376 ESP Fit Center 4984 is at 5.327596 1.462152 2.794376 ESP Fit Center 4985 is at 0.910820 0.401778 2.794376 ESP Fit Center 4986 is at 0.813245 -0.004649 2.794376 ESP Fit Center 4987 is at 4.653381 -2.794671 2.794376 ESP Fit Center 4988 is at 5.009765 -2.576279 2.794376 ESP Fit Center 4989 is at 5.549416 1.465029 2.418820 ESP Fit Center 4990 is at 5.252324 1.751462 2.418820 ESP Fit Center 4991 is at 4.549675 -3.022955 2.418820 ESP Fit Center 4992 is at 4.916692 -2.834259 2.418820 ESP Fit Center 4993 is at 5.694173 1.466693 2.024549 ESP Fit Center 4994 is at 5.409512 1.761467 2.024549 ESP Fit Center 4995 is at 5.086598 2.013756 2.024549 ESP Fit Center 4996 is at 4.351768 -3.214830 2.024549 ESP Fit Center 4997 is at 4.731714 -3.061321 2.024549 ESP Fit Center 4998 is at 5.736883 1.502531 1.618909 ESP Fit Center 4999 is at 5.446819 1.802901 1.618909 ESP Fit Center 5000 is at 5.117775 2.059978 1.618909 ESP Fit Center 5001 is at 4.368997 -3.267855 1.618909 ESP Fit Center 5002 is at 4.756155 -3.111433 1.618909 ESP Fit Center 5003 is at 5.736883 1.502531 1.209454 ESP Fit Center 5004 is at 5.446819 1.802901 1.209454 ESP Fit Center 5005 is at 5.117775 2.059978 1.209454 ESP Fit Center 5006 is at 4.756155 2.268760 1.209454 ESP Fit Center 5007 is at 3.963837 -3.368872 1.209454 ESP Fit Center 5008 is at 4.368997 -3.267855 1.209454 ESP Fit Center 5009 is at 4.756155 -3.111433 1.209454 ESP Fit Center 5010 is at 5.694173 1.466693 0.803813 ESP Fit Center 5011 is at 5.409512 1.761467 0.803813 ESP Fit Center 5012 is at 5.086598 2.013756 0.803813 ESP Fit Center 5013 is at 5.801638 1.138391 0.409542 ESP Fit Center 5014 is at 3.006897 -3.582210 1.026119 ESP Fit Center 5015 is at 3.422605 -3.602012 1.026119 ESP Fit Center 5016 is at 3.834549 -3.542784 1.026119 ESP Fit Center 5017 is at 4.227839 -3.406665 1.026119 ESP Fit Center 5018 is at 4.588261 -3.198575 1.026119 ESP Fit Center 5019 is at 2.608385 -3.733945 0.680347 ESP Fit Center 5020 is at 3.010441 -3.820595 0.680347 ESP Fit Center 5021 is at 3.421357 -3.838050 0.680347 ESP Fit Center 5022 is at 3.829312 -3.785809 0.680347 ESP Fit Center 5023 is at 4.222571 -3.665375 0.680347 ESP Fit Center 5024 is at 4.589820 -3.480212 0.680347 ESP Fit Center 5025 is at 4.920493 -3.235647 0.680347 ESP Fit Center 5026 is at 5.205079 -2.938716 0.680347 ESP Fit Center 5027 is at 2.513006 -3.894242 0.303302 ESP Fit Center 5028 is at 2.910704 -3.989721 0.303302 ESP Fit Center 5029 is at 3.318442 -4.021810 0.303302 ESP Fit Center 5030 is at 3.726180 -3.989721 0.303302 ESP Fit Center 5031 is at 4.123879 -3.894242 0.303302 ESP Fit Center 5032 is at 4.501744 -3.737725 0.303302 ESP Fit Center 5033 is at 4.850473 -3.524023 0.303302 ESP Fit Center 5034 is at 5.161478 -3.258400 0.303302 ESP Fit Center 5035 is at 5.427102 -2.947395 0.303302 ESP Fit Center 5036 is at 5.640803 -2.598666 0.303302 ESP Fit Center 5037 is at 2.595096 -4.047581 -0.096594 ESP Fit Center 5038 is at 3.005380 -4.127151 -0.096594 ESP Fit Center 5039 is at 3.423001 -4.143159 -0.096594 ESP Fit Center 5040 is at 3.838172 -4.095229 -0.096594 ESP Fit Center 5041 is at 4.241160 -3.984486 -0.096594 ESP Fit Center 5042 is at 4.622521 -3.813525 -0.096594 ESP Fit Center 5043 is at 4.973315 -3.586353 -0.096594 ESP Fit Center 5044 is at 5.285321 -3.308295 -0.096594 ESP Fit Center 5045 is at 5.551224 -2.985868 -0.096594 ESP Fit Center 5046 is at 5.764793 -2.626629 -0.096594 ESP Fit Center 5047 is at 5.921022 -2.239000 -0.096594 ESP Fit Center 5048 is at 6.016248 -1.832066 -0.096594 ESP Fit Center 5049 is at 6.110613 -1.415364 -0.510409 ESP Fit Center 5050 is at 6.079427 -0.999212 -0.510409 ESP Fit Center 5051 is at 5.986565 -0.592357 -0.510409 ESP Fit Center 5052 is at 2.298348 -4.014522 -0.510409 ESP Fit Center 5053 is at 2.697126 -4.137529 -0.510409 ESP Fit Center 5054 is at 3.109783 -4.199727 -0.510409 ESP Fit Center 5055 is at 3.527102 -4.199727 -0.510409 ESP Fit Center 5056 is at 3.939759 -4.137529 -0.510409 ESP Fit Center 5057 is at 4.338537 -4.014522 -0.510409 ESP Fit Center 5058 is at 4.714528 -3.833455 -0.510409 ESP Fit Center 5059 is at 5.059332 -3.598371 -0.510409 ESP Fit Center 5060 is at 5.365248 -3.314522 -0.510409 ESP Fit Center 5061 is at 5.625442 -2.988250 -0.510409 ESP Fit Center 5062 is at 5.834101 -2.626841 -0.510409 ESP Fit Center 5063 is at 5.986565 -2.238371 -0.510409 ESP Fit Center 5064 is at 6.079427 -1.831515 -0.510409 ESP Fit Center 5065 is at 6.110613 -1.415364 -0.928897 ESP Fit Center 5066 is at 6.079427 -0.999212 -0.928897 ESP Fit Center 5067 is at 5.986565 -0.592357 -0.928897 ESP Fit Center 5068 is at 2.298348 -4.014522 -0.928897 ESP Fit Center 5069 is at 2.697126 -4.137529 -0.928897 ESP Fit Center 5070 is at 3.109783 -4.199727 -0.928897 ESP Fit Center 5071 is at 3.527102 -4.199727 -0.928897 ESP Fit Center 5072 is at 3.939759 -4.137529 -0.928897 ESP Fit Center 5073 is at 4.338537 -4.014522 -0.928897 ESP Fit Center 5074 is at 4.714528 -3.833455 -0.928897 ESP Fit Center 5075 is at 5.059332 -3.598371 -0.928897 ESP Fit Center 5076 is at 5.365248 -3.314522 -0.928897 ESP Fit Center 5077 is at 5.625442 -2.988250 -0.928897 ESP Fit Center 5078 is at 5.834101 -2.626841 -0.928897 ESP Fit Center 5079 is at 5.986565 -2.238371 -0.928897 ESP Fit Center 5080 is at 6.079427 -1.831515 -0.928897 ESP Fit Center 5081 is at 6.048241 -1.415364 -1.342711 ESP Fit Center 5082 is at 6.016248 -0.998662 -1.342711 ESP Fit Center 5083 is at 5.921022 -0.591727 -1.342711 ESP Fit Center 5084 is at 5.764793 -0.204098 -1.342711 ESP Fit Center 5085 is at 2.201768 -3.906314 -1.342711 ESP Fit Center 5086 is at 2.595096 -4.047581 -1.342711 ESP Fit Center 5087 is at 3.005380 -4.127151 -1.342711 ESP Fit Center 5088 is at 3.423001 -4.143159 -1.342711 ESP Fit Center 5089 is at 3.838172 -4.095229 -1.342711 ESP Fit Center 5090 is at 4.241160 -3.984486 -1.342711 ESP Fit Center 5091 is at 4.622521 -3.813525 -1.342711 ESP Fit Center 5092 is at 4.973315 -3.586353 -1.342711 ESP Fit Center 5093 is at 5.285321 -3.308295 -1.342711 ESP Fit Center 5094 is at 5.551224 -2.985868 -1.342711 ESP Fit Center 5095 is at 5.764793 -2.626629 -1.342711 ESP Fit Center 5096 is at 5.921022 -2.239000 -1.342711 ESP Fit Center 5097 is at 6.016248 -1.832066 -1.342711 ESP Fit Center 5098 is at 5.924889 -1.415364 -1.742608 ESP Fit Center 5099 is at 5.892799 -1.007626 -1.742608 ESP Fit Center 5100 is at 5.797320 -0.609928 -1.742608 ESP Fit Center 5101 is at 5.640803 -0.232062 -1.742608 ESP Fit Center 5102 is at 2.135140 -3.737725 -1.742608 ESP Fit Center 5103 is at 2.513006 -3.894242 -1.742608 ESP Fit Center 5104 is at 2.910704 -3.989721 -1.742608 ESP Fit Center 5105 is at 3.318442 -4.021810 -1.742608 ESP Fit Center 5106 is at 3.726180 -3.989721 -1.742608 ESP Fit Center 5107 is at 4.123879 -3.894242 -1.742608 ESP Fit Center 5108 is at 4.501744 -3.737725 -1.742608 ESP Fit Center 5109 is at 4.850473 -3.524023 -1.742608 ESP Fit Center 5110 is at 5.161478 -3.258400 -1.742608 ESP Fit Center 5111 is at 5.427102 -2.947395 -1.742608 ESP Fit Center 5112 is at 5.640803 -2.598666 -1.742608 ESP Fit Center 5113 is at 5.797320 -2.220800 -1.742608 ESP Fit Center 5114 is at 5.892799 -1.823102 -1.742608 ESP Fit Center 5115 is at 5.743313 -1.415364 -2.119653 ESP Fit Center 5116 is at 5.708434 -1.005559 -2.119653 ESP Fit Center 5117 is at 1.876534 -3.364953 -2.119653 ESP Fit Center 5118 is at 2.226756 -3.580594 -2.119653 ESP Fit Center 5119 is at 2.608385 -3.733945 -2.119653 ESP Fit Center 5120 is at 3.010441 -3.820595 -2.119653 ESP Fit Center 5121 is at 3.421357 -3.838050 -2.119653 ESP Fit Center 5122 is at 3.829312 -3.785809 -2.119653 ESP Fit Center 5123 is at 4.222571 -3.665375 -2.119653 ESP Fit Center 5124 is at 4.589820 -3.480212 -2.119653 ESP Fit Center 5125 is at 4.920493 -3.235647 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Fit Center 5144 is at -2.335900 1.734110 2.664927 ESP Fit Center 5145 is at -1.738298 1.959796 2.527809 ESP Fit Center 5146 is at -2.128355 2.101765 2.527809 ESP Fit Center 5147 is at -2.543445 2.101765 2.527809 ESP Fit Center 5148 is at -2.933501 1.959796 2.527809 ESP Fit Center 5149 is at -1.618772 2.308712 2.339434 ESP Fit Center 5150 is at -2.018762 2.450868 2.339434 ESP Fit Center 5151 is at -2.442273 2.479837 2.339434 ESP Fit Center 5152 is at -2.857894 2.393470 2.339434 ESP Fit Center 5153 is at -3.234801 2.198173 2.339434 ESP Fit Center 5154 is at -1.829398 2.748974 2.103309 ESP Fit Center 5155 is at -2.233400 2.815207 2.103309 ESP Fit Center 5156 is at -2.642196 2.793042 2.103309 ESP Fit Center 5157 is at -3.036669 2.683517 2.103309 ESP Fit Center 5158 is at -3.398375 2.491753 2.103309 ESP Fit Center 5159 is at -2.231576 3.114744 1.823835 ESP Fit Center 5160 is at -4.490842 2.490377 -1.604020 ESP Fit Center 5161 is at -4.105349 2.620599 -1.953865 ESP Fit Center 5162 is at 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2.479837 -2.787083 ESP Fit Center 5181 is at -2.857894 2.393470 -2.787083 ESP Fit Center 5182 is at -3.234801 2.198173 -2.787083 ESP Fit Center 5183 is at -3.545041 1.908429 -2.787083 ESP Fit Center 5184 is at -3.765604 1.545728 -2.787083 ESP Fit Center 5185 is at -3.880133 1.136969 -2.787083 ESP Fit Center 5186 is at -3.880133 0.712469 -2.787083 ESP Fit Center 5187 is at -3.765604 0.303711 -2.787083 ESP Fit Center 5188 is at -3.234801 -0.348734 -2.787083 ESP Fit Center 5189 is at -1.738298 1.959796 -2.975458 ESP Fit Center 5190 is at -2.128355 2.101765 -2.975458 ESP Fit Center 5191 is at -2.543445 2.101765 -2.975458 ESP Fit Center 5192 is at -2.933501 1.959796 -2.975458 ESP Fit Center 5193 is at -3.251478 1.692981 -2.975458 ESP Fit Center 5194 is at -3.459023 1.333503 -2.975458 ESP Fit Center 5195 is at -3.531103 0.924719 -2.975458 ESP Fit Center 5196 is at -3.459023 0.515936 -2.975458 ESP Fit Center 5197 is at -3.251478 0.156458 -2.975458 ESP Fit Center 5198 is at -2.933501 -0.110357 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ESP Fit Center 5217 is at -0.582143 0.665073 2.759988 ESP Fit Center 5218 is at -0.786393 1.018845 2.759988 ESP Fit Center 5219 is at -1.194893 1.018845 2.759988 ESP Fit Center 5220 is at -1.399143 0.665073 2.759988 ESP Fit Center 5221 is at -1.194893 0.311302 2.759988 ESP Fit Center 5222 is at -0.786393 0.311302 2.759988 ESP Fit Center 5223 is at -0.181253 0.665073 2.676682 ESP Fit Center 5224 is at -0.990643 1.474464 2.676682 ESP Fit Center 5225 is at -1.395338 1.366026 2.676682 ESP Fit Center 5226 is at -1.395338 -0.035879 2.676682 ESP Fit Center 5227 is at -0.289690 0.260378 2.676682 ESP Fit Center 5228 is at 0.132481 0.256290 -2.963704 ESP Fit Center 5229 is at -0.181253 0.665073 -3.100822 ESP Fit Center 5230 is at -0.990643 1.474464 -3.100822 ESP Fit Center 5231 is at -1.395338 1.366026 -3.100822 ESP Fit Center 5232 is at -1.691596 0.260378 -3.100822 ESP Fit Center 5233 is at -1.395338 -0.035879 -3.100822 ESP Fit Center 5234 is at -0.289690 0.260378 -3.100822 ESP Fit Center 5235 is at -0.582143 0.665073 -3.184128 ESP Fit Center 5236 is at -0.786393 1.018845 -3.184128 ESP Fit Center 5237 is at -1.194893 1.018845 -3.184128 ESP Fit Center 5238 is at -1.399143 0.665073 -3.184128 ESP Fit Center 5239 is at -1.194893 0.311302 -3.184128 ESP Fit Center 5240 is at -0.786393 0.311302 -3.184128 ESP Fit Center 5241 is at -0.990643 0.665073 -3.212070 ESP Fit Center 5242 is at -0.168360 1.648649 2.784065 ESP Fit Center 5243 is at 0.240140 1.648649 2.756123 ESP Fit Center 5244 is at 0.035890 2.002420 2.756123 ESP Fit Center 5245 is at -0.372610 2.002420 2.756123 ESP Fit Center 5246 is at -0.576860 1.648649 2.756123 ESP Fit Center 5247 is at -0.372610 1.294877 2.756123 ESP Fit Center 5248 is at 0.035890 1.294877 2.756123 ESP Fit Center 5249 is at 0.236335 2.349601 2.672817 ESP Fit Center 5250 is at -0.168360 2.458039 2.672817 ESP Fit Center 5251 is at -0.573056 2.349601 2.672817 ESP Fit Center 5252 is at -0.869313 2.053344 2.672817 ESP Fit Center 5253 is at -0.977751 1.648649 2.672817 ESP Fit Center 5254 is at -0.168360 0.839258 2.672817 ESP Fit Center 5255 is at 0.236335 0.947696 2.672817 ESP Fit Center 5256 is at 0.429241 2.683725 2.535699 ESP Fit Center 5257 is at 0.039185 2.825694 2.535699 ESP Fit Center 5258 is at -0.375905 2.825694 2.535699 ESP Fit Center 5259 is at -0.765962 2.683725 2.535699 ESP Fit Center 5260 is at -1.083939 2.416911 2.535699 ESP Fit Center 5261 is at -1.291484 2.057432 2.535699 ESP Fit Center 5262 is at 0.548767 3.032642 2.347323 ESP Fit Center 5263 is at 0.148777 3.174798 2.347323 ESP Fit Center 5264 is at -0.274733 3.203767 2.347323 ESP Fit Center 5265 is at -0.690355 3.117400 2.347323 ESP Fit Center 5266 is at -1.067262 2.922102 2.347323 ESP Fit Center 5267 is at -1.377502 2.632358 2.347323 ESP Fit Center 5268 is at 0.718460 3.321370 2.111199 ESP Fit Center 5269 is at 0.338141 3.472903 2.111199 ESP Fit Center 5270 is at -0.065861 3.539136 2.111199 ESP Fit Center 5271 is at -0.474656 3.516972 2.111199 ESP Fit Center 5272 is at -0.869130 3.407447 2.111199 ESP Fit Center 5273 is at -1.230836 3.215682 2.111199 ESP Fit Center 5274 is at -1.542861 2.950645 2.111199 ESP Fit Center 5275 is at 0.348543 3.779353 1.831724 ESP Fit Center 5276 is at -0.064037 3.838673 1.831724 ESP Fit Center 5277 is at -0.480387 3.818840 1.831724 ESP Fit Center 5278 is at -0.885459 3.720571 1.831724 ESP Fit Center 5279 is at -1.264614 3.547416 1.831724 ESP Fit Center 5280 is at -1.604148 3.305636 1.831724 ESP Fit Center 5281 is at 0.347996 4.044548 1.514106 ESP Fit Center 5282 is at -0.064341 4.097350 1.514106 ESP Fit Center 5283 is at -0.479670 4.079707 1.514106 ESP Fit Center 5284 is at -0.886043 3.992127 1.514106 ESP Fit Center 5285 is at -1.271769 3.837129 1.514106 ESP Fit Center 5286 is at -1.625753 3.619173 1.514106 ESP Fit Center 5287 is at 0.248327 4.279510 1.164260 ESP Fit Center 5288 is at -0.168360 4.312304 1.164260 ESP Fit Center 5289 is at -0.585048 4.279510 1.164260 ESP Fit Center 5290 is at -0.991475 4.181936 1.164260 ESP Fit Center 5291 is at -1.377635 4.021983 1.164260 ESP Fit Center 5292 is at -1.734018 3.803591 1.164260 ESP Fit Center 5293 is at 0.140808 4.458474 0.788704 ESP Fit Center 5294 is at -0.271600 4.473546 0.788704 ESP Fit Center 5295 is at -0.681808 4.428410 0.788704 ESP Fit Center 5296 is at -1.081073 4.324028 0.788704 ESP Fit Center 5297 is at -1.460885 4.162626 0.788704 ESP Fit Center 5298 is at -1.813149 3.947642 0.788704 ESP Fit Center 5299 is at 0.341688 4.541278 0.394433 ESP Fit Center 5300 is at -0.065852 4.584112 0.394433 ESP Fit Center 5301 is at -0.475387 4.569810 0.394433 ESP Fit Center 5302 is at -0.878946 4.498652 0.394433 ESP Fit Center 5303 is at -1.268674 4.372022 0.394433 ESP Fit Center 5304 is at -1.636986 4.192384 0.394433 ESP Fit Center 5305 is at 0.351370 4.596185 -0.011208 ESP Fit Center 5306 is at -0.063906 4.639832 -0.011208 ESP Fit Center 5307 is at -0.481215 4.625259 -0.011208 ESP Fit Center 5308 is at -0.892434 4.552750 -0.011208 ESP Fit Center 5309 is at -1.289560 4.423716 -0.011208 ESP Fit Center 5310 is at -1.664864 4.240668 -0.011208 ESP Fit Center 5311 is at 0.351370 4.596185 -0.420662 ESP Fit Center 5312 is at -0.063906 4.639832 -0.420662 ESP Fit Center 5313 is at -0.481215 4.625259 -0.420662 ESP Fit Center 5314 is at -0.892434 4.552750 -0.420662 ESP Fit Center 5315 is at -1.289560 4.423716 -0.420662 ESP Fit Center 5316 is at -1.664864 4.240668 -0.420662 ESP Fit Center 5317 is at 0.341688 4.541278 -0.826303 ESP Fit Center 5318 is at -0.065852 4.584112 -0.826303 ESP Fit Center 5319 is at -0.475387 4.569810 -0.826303 ESP Fit Center 5320 is at -0.878946 4.498652 -0.826303 ESP Fit Center 5321 is at -1.268674 4.372022 -0.826303 ESP Fit Center 5322 is at -1.636986 4.192384 -0.826303 ESP Fit Center 5323 is at 0.140808 4.458474 -1.220574 ESP Fit Center 5324 is at -0.271600 4.473546 -1.220574 ESP Fit Center 5325 is at -0.681808 4.428410 -1.220574 ESP Fit Center 5326 is at -1.081073 4.324028 -1.220574 ESP Fit Center 5327 is at -1.460885 4.162626 -1.220574 ESP Fit Center 5328 is at -1.813149 3.947642 -1.220574 ESP Fit Center 5329 is at 0.248327 4.279510 -1.596130 ESP Fit Center 5330 is at -0.168360 4.312304 -1.596130 ESP Fit Center 5331 is at -0.585048 4.279510 -1.596130 ESP Fit Center 5332 is at -0.991475 4.181936 -1.596130 ESP Fit Center 5333 is at -1.377635 4.021983 -1.596130 ESP Fit Center 5334 is at -1.734018 3.803591 -1.596130 ESP Fit Center 5335 is at 0.347996 4.044548 -1.945976 ESP Fit Center 5336 is at -0.064341 4.097350 -1.945976 ESP Fit Center 5337 is at -0.479670 4.079707 -1.945976 ESP Fit Center 5338 is at -0.886043 3.992127 -1.945976 ESP Fit Center 5339 is at -1.271769 3.837129 -1.945976 ESP Fit Center 5340 is at -1.625753 3.619173 -1.945976 ESP Fit Center 5341 is at 0.742440 3.643024 -2.263594 ESP Fit Center 5342 is at 0.348543 3.779353 -2.263594 ESP Fit Center 5343 is at -0.064037 3.838673 -2.263594 ESP Fit Center 5344 is at -0.480387 3.818840 -2.263594 ESP Fit Center 5345 is at -0.885459 3.720571 -2.263594 ESP Fit Center 5346 is at -1.264614 3.547416 -2.263594 ESP Fit Center 5347 is at -1.604148 3.305636 -2.263594 ESP Fit Center 5348 is at 0.718460 3.321370 -2.543069 ESP Fit Center 5349 is at 0.338141 3.472903 -2.543069 ESP Fit Center 5350 is at -0.065861 3.539136 -2.543069 ESP Fit Center 5351 is at -0.474656 3.516972 -2.543069 ESP Fit Center 5352 is at -0.869130 3.407447 -2.543069 ESP Fit Center 5353 is at -1.230836 3.215682 -2.543069 ESP Fit Center 5354 is at -1.542861 2.950645 -2.543069 ESP Fit Center 5355 is at 0.548767 3.032642 -2.779193 ESP Fit Center 5356 is at 0.148777 3.174798 -2.779193 ESP Fit Center 5357 is at -0.274733 3.203767 -2.779193 ESP Fit Center 5358 is at -0.690355 3.117400 -2.779193 ESP Fit Center 5359 is at -1.067262 2.922102 -2.779193 ESP Fit Center 5360 is at -1.377502 2.632358 -2.779193 ESP Fit Center 5361 is at 0.747218 2.416911 -2.967569 ESP Fit Center 5362 is at 0.429241 2.683725 -2.967569 ESP Fit Center 5363 is at 0.039185 2.825694 -2.967569 ESP Fit Center 5364 is at -0.375905 2.825694 -2.967569 ESP Fit Center 5365 is at -0.765962 2.683725 -2.967569 ESP Fit Center 5366 is at -1.083939 2.416911 -2.967569 ESP Fit Center 5367 is at -1.291484 2.057432 -2.967569 ESP Fit Center 5368 is at 0.532592 2.053344 -3.104687 ESP Fit Center 5369 is at 0.236335 2.349601 -3.104687 ESP Fit Center 5370 is at -0.168360 2.458039 -3.104687 ESP Fit Center 5371 is at -0.573056 2.349601 -3.104687 ESP Fit Center 5372 is at -0.869313 2.053344 -3.104687 ESP Fit Center 5373 is at -0.977751 1.648649 -3.104687 ESP Fit Center 5374 is at -0.168360 0.839258 -3.104687 ESP Fit Center 5375 is at 0.236335 0.947696 -3.104687 ESP Fit Center 5376 is at 0.532592 1.243954 -3.104687 ESP Fit Center 5377 is at 0.240140 1.648649 -3.187993 ESP Fit Center 5378 is at 0.035890 2.002420 -3.187993 ESP Fit Center 5379 is at -0.372610 2.002420 -3.187993 ESP Fit Center 5380 is at -0.576860 1.648649 -3.187993 ESP Fit Center 5381 is at -0.372610 1.294877 -3.187993 ESP Fit Center 5382 is at 0.035890 1.294877 -3.187993 ESP Fit Center 5383 is at -0.168360 1.648649 -3.215935 ESP Fit Center 5384 is at 0.973794 1.751254 2.797335 ESP Fit Center 5385 is at 0.769544 1.397483 2.797335 ESP Fit Center 5386 is at 0.973794 1.043712 2.797335 ESP Fit Center 5387 is at 1.582739 2.098436 2.714029 ESP Fit Center 5388 is at 1.178044 2.206873 2.714029 ESP Fit Center 5389 is at 0.773349 2.098436 2.714029 ESP Fit Center 5390 is at 0.477091 1.802178 2.714029 ESP Fit Center 5391 is at 0.477091 0.992788 2.714029 ESP Fit Center 5392 is at 0.773349 0.696531 2.714029 ESP Fit Center 5393 is at 1.385589 2.574529 2.576911 ESP Fit Center 5394 is at 0.970499 2.574529 2.576911 ESP Fit Center 5395 is at 0.262465 0.629221 2.576911 ESP Fit Center 5396 is at 2.736796 1.397483 -2.737981 ESP Fit Center 5397 is at 1.071671 2.952601 -2.737981 ESP Fit Center 5398 is at 2.373247 1.397483 -2.926357 ESP Fit Center 5399 is at 2.301168 1.806267 -2.926357 ESP Fit Center 5400 is at 1.385589 2.574529 -2.926357 ESP Fit Center 5401 is at 0.970499 2.574529 -2.926357 ESP Fit Center 5402 is at 2.301168 0.988700 -2.926357 ESP Fit Center 5403 is at 1.987434 1.397483 -3.063475 ESP Fit Center 5404 is at 1.878997 1.802178 -3.063475 ESP Fit Center 5405 is at 1.582739 2.098436 -3.063475 ESP Fit Center 5406 is at 1.178044 2.206873 -3.063475 ESP Fit Center 5407 is at 0.773349 2.098436 -3.063475 ESP Fit Center 5408 is at 0.773349 0.696531 -3.063475 ESP Fit Center 5409 is at 1.878997 0.992788 -3.063475 ESP Fit Center 5410 is at 1.586544 1.397483 -3.146781 ESP Fit Center 5411 is at 1.382294 1.751254 -3.146781 ESP Fit Center 5412 is at 0.973794 1.751254 -3.146781 ESP Fit Center 5413 is at 0.769544 1.397483 -3.146781 ESP Fit Center 5414 is at 0.973794 1.043712 -3.146781 ESP Fit Center 5415 is at 1.382294 1.043712 -3.146781 ESP Fit Center 5416 is at 1.178044 1.397483 -3.174723 ESP Fit Center 5417 is at 2.218133 2.619365 2.619460 ESP Fit Center 5418 is at 1.800815 2.619365 2.619460 ESP Fit Center 5419 is at 2.422131 2.972700 2.526338 ESP Fit Center 5420 is at 2.009474 3.083272 2.526338 ESP Fit Center 5421 is at 1.596817 2.972700 2.526338 ESP Fit Center 5422 is at 2.940122 3.038863 2.373447 ESP Fit Center 5423 is at 2.616911 3.310069 2.373447 ESP Fit Center 5424 is at 2.220435 3.454375 2.373447 ESP Fit Center 5425 is at 1.798513 3.454375 2.373447 ESP Fit Center 5426 is at 1.402037 3.310069 2.373447 ESP Fit Center 5427 is at 1.078826 3.038863 2.373447 ESP Fit Center 5428 is at 3.375452 3.046605 2.164202 ESP Fit Center 5429 is at 3.124791 3.373274 2.164202 ESP Fit Center 5430 is at 2.798122 3.623936 2.164202 ESP Fit Center 5431 is at 2.417708 3.781508 2.164202 ESP Fit Center 5432 is at 2.009474 3.835253 2.164202 ESP Fit Center 5433 is at 1.601240 3.781508 2.164202 ESP Fit Center 5434 is at 1.220826 3.623936 2.164202 ESP Fit Center 5435 is at 0.894157 3.373274 2.164202 ESP Fit Center 5436 is at 3.737936 3.057629 1.903279 ESP Fit Center 5437 is at 3.525620 3.410502 1.903279 ESP Fit Center 5438 is at 3.242410 3.709482 1.903279 ESP Fit Center 5439 is at 2.901550 3.940591 1.903279 ESP Fit Center 5440 is at 2.518977 4.093022 1.903279 ESP Fit Center 5441 is at 2.112581 4.159648 1.903279 ESP Fit Center 5442 is at 1.701363 4.137352 1.903279 ESP Fit Center 5443 is at 1.304552 4.027178 1.903279 ESP Fit Center 5444 is at 0.940702 3.834277 1.903279 ESP Fit Center 5445 is at 4.159042 2.672252 1.596505 ESP Fit Center 5446 is at 4.041790 3.071574 1.596505 ESP Fit Center 5447 is at 3.851086 3.441489 1.596505 ESP Fit Center 5448 is at 3.593820 3.768629 1.596505 ESP Fit Center 5449 is at 3.279293 4.041168 1.596505 ESP Fit Center 5450 is at 2.918871 4.249258 1.596505 ESP Fit Center 5451 is at 2.525580 4.385377 1.596505 ESP Fit Center 5452 is at 2.113637 4.444606 1.596505 ESP Fit Center 5453 is at 1.697928 4.424803 1.596505 ESP Fit Center 5454 is at 1.293480 4.326685 1.596505 ESP Fit Center 5455 is at 0.914910 4.153798 1.596505 ESP Fit Center 5456 is at 4.399465 2.667762 1.250734 ESP Fit Center 5457 is at 4.295830 3.065778 1.250734 ESP Fit Center 5458 is at 4.126421 3.440555 1.250734 ESP Fit Center 5459 is at 3.896110 3.781310 1.250734 ESP Fit Center 5460 is at 3.611525 4.078241 1.250734 ESP Fit Center 5461 is at 3.280851 4.322806 1.250734 ESP Fit Center 5462 is at 2.913603 4.507968 1.250734 ESP Fit Center 5463 is at 2.520344 4.628403 1.250734 ESP Fit Center 5464 is at 2.112388 4.680643 1.250734 ESP Fit Center 5465 is at 1.701472 4.663188 1.250734 ESP Fit Center 5466 is at 1.299416 4.576538 1.250734 ESP Fit Center 5467 is at 0.917788 4.423187 1.250734 ESP Fit Center 5468 is at 0.567565 4.207547 1.250734 ESP Fit Center 5469 is at 4.583831 2.665695 0.873689 ESP Fit Center 5470 is at 4.488352 3.063393 0.873689 ESP Fit Center 5471 is at 4.331835 3.441259 0.873689 ESP Fit Center 5472 is at 4.118133 3.789988 0.873689 ESP Fit Center 5473 is at 3.852510 4.100993 0.873689 ESP Fit Center 5474 is at 3.541505 4.366617 0.873689 ESP Fit Center 5475 is at 3.192776 4.580318 0.873689 ESP Fit Center 5476 is at 2.814910 4.736835 0.873689 ESP Fit Center 5477 is at 2.417212 4.832314 0.873689 ESP Fit Center 5478 is at 2.009474 4.864404 0.873689 ESP Fit Center 5479 is at 1.601736 4.832314 0.873689 ESP Fit Center 5480 is at 1.204038 4.736835 0.873689 ESP Fit Center 5481 is at 0.826172 4.580318 0.873689 ESP Fit Center 5482 is at 4.707280 2.674659 0.473792 ESP Fit Center 5483 is at 4.612054 3.081593 0.473792 ESP Fit Center 5484 is at 4.455825 3.469223 0.473792 ESP Fit Center 5485 is at 4.242256 3.828461 0.473792 ESP Fit Center 5486 is at 3.976352 4.150888 0.473792 ESP Fit Center 5487 is at 3.664347 4.428946 0.473792 ESP Fit Center 5488 is at 3.313553 4.656118 0.473792 ESP Fit Center 5489 is at 2.932192 4.827080 0.473792 ESP Fit Center 5490 is at 2.529203 4.937823 0.473792 ESP Fit Center 5491 is at 2.114033 4.985752 0.473792 ESP Fit Center 5492 is at 1.696411 4.969744 0.473792 ESP Fit Center 5493 is at 1.286128 4.890175 0.473792 ESP Fit Center 5494 is at 0.892799 4.748908 0.473792 ESP Fit Center 5495 is at 0.525644 4.549255 0.473792 ESP Fit Center 5496 is at 4.770458 2.674109 0.059978 ESP Fit Center 5497 is at 4.677596 3.080964 0.059978 ESP Fit Center 5498 is at 4.525133 3.469435 0.059978 ESP Fit Center 5499 is at 4.316473 3.830843 0.059978 ESP Fit Center 5500 is at 4.056280 4.157116 0.059978 ESP Fit Center 5501 is at 3.750364 4.440964 0.059978 ESP Fit Center 5502 is at 3.405559 4.676048 0.059978 ESP Fit Center 5503 is at 3.029568 4.857116 0.059978 ESP Fit Center 5504 is at 2.630790 4.980122 0.059978 ESP Fit Center 5505 is at 2.218133 5.042320 0.059978 ESP Fit Center 5506 is at 1.800815 5.042320 0.059978 ESP Fit Center 5507 is at 1.388157 4.980122 0.059978 ESP Fit Center 5508 is at 0.989379 4.857116 0.059978 ESP Fit Center 5509 is at 0.613389 4.676048 0.059978 ESP Fit Center 5510 is at 4.770458 2.674109 -0.358510 ESP Fit Center 5511 is at 4.677596 3.080964 -0.358510 ESP Fit Center 5512 is at 4.525133 3.469435 -0.358510 ESP Fit Center 5513 is at 4.316473 3.830843 -0.358510 ESP Fit Center 5514 is at 4.056280 4.157116 -0.358510 ESP Fit Center 5515 is at 3.750364 4.440964 -0.358510 ESP Fit Center 5516 is at 3.405559 4.676048 -0.358510 ESP Fit Center 5517 is at 3.029568 4.857116 -0.358510 ESP Fit Center 5518 is at 2.630790 4.980122 -0.358510 ESP Fit Center 5519 is at 2.218133 5.042320 -0.358510 ESP Fit Center 5520 is at 1.800815 5.042320 -0.358510 ESP Fit Center 5521 is at 1.388157 4.980122 -0.358510 ESP Fit Center 5522 is at 0.989379 4.857116 -0.358510 ESP Fit Center 5523 is at 0.613389 4.676048 -0.358510 ESP Fit Center 5524 is at 4.707280 2.674659 -0.772325 ESP Fit Center 5525 is at 4.612054 3.081593 -0.772325 ESP Fit Center 5526 is at 4.455825 3.469223 -0.772325 ESP Fit Center 5527 is at 4.242256 3.828461 -0.772325 ESP Fit Center 5528 is at 3.976352 4.150888 -0.772325 ESP Fit Center 5529 is at 3.664347 4.428946 -0.772325 ESP Fit Center 5530 is at 3.313553 4.656118 -0.772325 ESP Fit Center 5531 is at 2.932192 4.827080 -0.772325 ESP Fit Center 5532 is at 2.529203 4.937823 -0.772325 ESP Fit Center 5533 is at 2.114033 4.985752 -0.772325 ESP Fit Center 5534 is at 1.696411 4.969744 -0.772325 ESP Fit Center 5535 is at 1.286128 4.890175 -0.772325 ESP Fit Center 5536 is at 0.892799 4.748908 -0.772325 ESP Fit Center 5537 is at 0.525644 4.549255 -0.772325 ESP Fit Center 5538 is at 4.583831 2.665695 -1.172221 ESP Fit Center 5539 is at 4.488352 3.063393 -1.172221 ESP Fit Center 5540 is at 4.331835 3.441259 -1.172221 ESP Fit Center 5541 is at 4.118133 3.789988 -1.172221 ESP Fit Center 5542 is at 3.852510 4.100993 -1.172221 ESP Fit Center 5543 is at 3.541505 4.366617 -1.172221 ESP Fit Center 5544 is at 3.192776 4.580318 -1.172221 ESP Fit Center 5545 is at 2.814910 4.736835 -1.172221 ESP Fit Center 5546 is at 2.417212 4.832314 -1.172221 ESP Fit Center 5547 is at 2.009474 4.864404 -1.172221 ESP Fit Center 5548 is at 1.601736 4.832314 -1.172221 ESP Fit Center 5549 is at 1.204038 4.736835 -1.172221 ESP Fit Center 5550 is at 0.826172 4.580318 -1.172221 ESP Fit Center 5551 is at 4.399465 2.667762 -1.549266 ESP Fit Center 5552 is at 4.295830 3.065778 -1.549266 ESP Fit Center 5553 is at 4.126421 3.440555 -1.549266 ESP Fit Center 5554 is at 3.896110 3.781310 -1.549266 ESP Fit Center 5555 is at 3.611525 4.078241 -1.549266 ESP Fit Center 5556 is at 3.280851 4.322806 -1.549266 ESP Fit Center 5557 is at 2.913603 4.507968 -1.549266 ESP Fit Center 5558 is at 2.520344 4.628403 -1.549266 ESP Fit Center 5559 is at 2.112388 4.680643 -1.549266 ESP Fit Center 5560 is at 1.701472 4.663188 -1.549266 ESP Fit Center 5561 is at 1.299416 4.576538 -1.549266 ESP Fit Center 5562 is at 0.917788 4.423187 -1.549266 ESP Fit Center 5563 is at 4.159042 2.672252 -1.895038 ESP Fit Center 5564 is at 4.041790 3.071574 -1.895038 ESP Fit Center 5565 is at 3.851086 3.441489 -1.895038 ESP Fit Center 5566 is at 3.593820 3.768629 -1.895038 ESP Fit Center 5567 is at 3.279293 4.041168 -1.895038 ESP Fit Center 5568 is at 2.918871 4.249258 -1.895038 ESP Fit Center 5569 is at 2.525580 4.385377 -1.895038 ESP Fit Center 5570 is at 2.113637 4.444606 -1.895038 ESP Fit Center 5571 is at 1.697928 4.424803 -1.895038 ESP Fit Center 5572 is at 1.293480 4.326685 -1.895038 ESP Fit Center 5573 is at 0.914910 4.153798 -1.895038 ESP Fit Center 5574 is at 3.913958 2.257957 -2.201811 ESP Fit Center 5575 is at 3.869432 2.667365 -2.201811 ESP Fit Center 5576 is at 3.737936 3.057629 -2.201811 ESP Fit Center 5577 is at 3.525620 3.410502 -2.201811 ESP Fit Center 5578 is at 3.242410 3.709482 -2.201811 ESP Fit Center 5579 is at 2.901550 3.940591 -2.201811 ESP Fit Center 5580 is at 2.518977 4.093022 -2.201811 ESP Fit Center 5581 is at 2.112581 4.159648 -2.201811 ESP Fit Center 5582 is at 1.701363 4.137352 -2.201811 ESP Fit Center 5583 is at 1.304552 4.027178 -2.201811 ESP Fit Center 5584 is at 0.940702 3.834277 -2.201811 ESP Fit Center 5585 is at 3.586770 2.257957 -2.462735 ESP Fit Center 5586 is at 3.533025 2.666191 -2.462735 ESP Fit Center 5587 is at 3.375452 3.046605 -2.462735 ESP Fit Center 5588 is at 3.124791 3.373274 -2.462735 ESP Fit Center 5589 is at 2.798122 3.623936 -2.462735 ESP Fit Center 5590 is at 2.417708 3.781508 -2.462735 ESP Fit Center 5591 is at 2.009474 3.835253 -2.462735 ESP Fit Center 5592 is at 1.601240 3.781508 -2.462735 ESP Fit Center 5593 is at 1.220826 3.623936 -2.462735 ESP Fit Center 5594 is at 0.894157 3.373274 -2.462735 ESP Fit Center 5595 is at 3.224348 2.257957 -2.671979 ESP Fit Center 5596 is at 3.151082 2.673469 -2.671979 ESP Fit Center 5597 is at 2.940122 3.038863 -2.671979 ESP Fit Center 5598 is at 2.616911 3.310069 -2.671979 ESP Fit Center 5599 is at 2.220435 3.454375 -2.671979 ESP Fit Center 5600 is at 1.798513 3.454375 -2.671979 ESP Fit Center 5601 is at 1.402037 3.310069 -2.671979 ESP Fit Center 5602 is at 2.940122 1.477051 -2.671979 ESP Fit Center 5603 is at 3.151082 1.842446 -2.671979 ESP Fit Center 5604 is at 2.834788 2.257957 -2.824870 ESP Fit Center 5605 is at 2.724217 2.670614 -2.824870 ESP Fit Center 5606 is at 2.422131 2.972700 -2.824870 ESP Fit Center 5607 is at 2.009474 3.083272 -2.824870 ESP Fit Center 5608 is at 1.596817 2.972700 -2.824870 ESP Fit Center 5609 is at 2.724217 1.845300 -2.824870 ESP Fit Center 5610 is at 2.426792 2.257957 -2.917993 ESP Fit Center 5611 is at 2.218133 2.619365 -2.917993 ESP Fit Center 5612 is at 1.800815 2.619365 -2.917993 ESP Fit Center 5613 is at 2.009474 2.257957 -2.949266 ESP Fit Center 5614 is at 0.881479 0.455231 2.745108 ESP Fit Center 5615 is at 0.773042 0.050536 2.745108 ESP Fit Center 5616 is at 0.459308 0.459320 2.607990 ESP Fit Center 5617 is at 2.498011 0.818798 -2.895278 ESP Fit Center 5618 is at 2.283385 0.455231 -3.032396 ESP Fit Center 5619 is at 1.987127 0.751489 -3.032396 ESP Fit Center 5620 is at 0.881479 0.455231 -3.032396 ESP Fit Center 5621 is at 0.773042 0.050536 -3.032396 ESP Fit Center 5622 is at 1.786682 0.404307 -3.115702 ESP Fit Center 5623 is at 1.378182 0.404307 -3.115702 ESP Fit Center 5624 is at 1.173932 0.050536 -3.115702 ESP Fit Center 5625 is at 1.378182 -0.303235 -3.115702 ESP Fit Center 5626 is at 1.582432 0.050536 -3.143644 ESP Fit Center 5627 is at 0.684674 -0.961935 2.857745 ESP Fit Center 5628 is at 0.480424 -0.608163 2.829803 ESP Fit Center 5629 is at 0.276174 -0.961935 2.829803 ESP Fit Center 5630 is at 0.480424 -1.315706 2.829803 ESP Fit Center 5631 is at 0.684674 -0.152545 2.746497 ESP Fit Center 5632 is at 0.279979 -0.260982 2.746497 ESP Fit Center 5633 is at -0.016278 -0.557240 2.746497 ESP Fit Center 5634 is at -0.016278 -1.366630 2.746497 ESP Fit Center 5635 is at 0.279979 -1.662887 2.746497 ESP Fit Center 5636 is at 0.684674 -1.771325 2.746497 ESP Fit Center 5637 is at 0.087073 0.073142 2.609379 ESP Fit Center 5638 is at -0.230905 -1.730197 2.609379 ESP Fit Center 5639 is at 0.087073 -1.997011 2.609379 ESP Fit Center 5640 is at 0.477129 -2.138980 2.609379 ESP Fit Center 5641 is at -0.214227 -2.235388 2.421004 ESP Fit Center 5642 is at 0.162680 -2.430686 2.421004 ESP Fit Center 5643 is at 0.578301 -2.517053 2.421004 ESP Fit Center 5644 is at -0.016095 -2.720733 2.184879 ESP Fit Center 5645 is at 0.378378 -2.830258 2.184879 ESP Fit Center 5646 is at 0.787173 -2.852422 2.184879 ESP Fit Center 5647 is at 0.372648 -3.132126 1.905405 ESP Fit Center 5648 is at 0.372648 -3.132126 -2.189914 ESP Fit Center 5649 is at 0.788998 -3.151959 -2.189914 ESP Fit Center 5650 is at 0.378378 -2.830258 -2.469388 ESP Fit Center 5651 is at 0.787173 -2.852422 -2.469388 ESP Fit Center 5652 is at 1.191176 -2.786189 -2.469388 ESP Fit Center 5653 is at 0.162680 -2.430686 -2.705513 ESP Fit Center 5654 is at 0.578301 -2.517053 -2.705513 ESP Fit Center 5655 is at 1.001812 -2.488084 -2.705513 ESP Fit Center 5656 is at 1.401801 -2.345928 -2.705513 ESP Fit Center 5657 is at 0.087073 -1.997011 -2.893888 ESP Fit Center 5658 is at 0.477129 -2.138980 -2.893888 ESP Fit Center 5659 is at 0.892219 -2.138980 -2.893888 ESP Fit Center 5660 is at 1.282276 -1.997011 -2.893888 ESP Fit Center 5661 is at 0.684674 -0.152545 -3.031006 ESP Fit Center 5662 is at 0.279979 -0.260982 -3.031006 ESP Fit Center 5663 is at 0.279979 -1.662887 -3.031006 ESP Fit Center 5664 is at 0.684674 -1.771325 -3.031006 ESP Fit Center 5665 is at 1.089369 -1.662887 -3.031006 ESP Fit Center 5666 is at 1.385627 -1.366630 -3.031006 ESP Fit Center 5667 is at 1.093174 -0.961935 -3.114312 ESP Fit Center 5668 is at 0.888924 -0.608163 -3.114312 ESP Fit Center 5669 is at 0.480424 -0.608163 -3.114312 ESP Fit Center 5670 is at 0.276174 -0.961935 -3.114312 ESP Fit Center 5671 is at 0.480424 -1.315706 -3.114312 ESP Fit Center 5672 is at 0.888924 -1.315706 -3.114312 ESP Fit Center 5673 is at 0.684674 -0.961935 -3.142255 ESP Fit Center 5674 is at -0.632036 -0.716986 2.804949 ESP Fit Center 5675 is at -0.223536 -0.716986 2.777007 ESP Fit Center 5676 is at -0.427786 -0.363215 2.777007 ESP Fit Center 5677 is at -0.836286 -0.363215 2.777007 ESP Fit Center 5678 is at -1.040536 -0.716986 2.777007 ESP Fit Center 5679 is at -0.836286 -1.070757 2.777007 ESP Fit Center 5680 is at -0.427786 -1.070757 2.777007 ESP Fit Center 5681 is at -0.227341 -0.016033 2.693701 ESP Fit Center 5682 is at -1.332989 -0.312291 2.693701 ESP Fit Center 5683 is at -1.441427 -0.716986 2.693701 ESP Fit Center 5684 is at -1.332989 -1.121681 2.693701 ESP Fit Center 5685 is at -1.036731 -1.417939 2.693701 ESP Fit Center 5686 is at -0.632036 -1.526376 2.693701 ESP Fit Center 5687 is at -0.227341 -1.417939 2.693701 ESP Fit Center 5688 is at -0.839581 -1.894032 2.556583 ESP Fit Center 5689 is at -0.424491 -1.894032 2.556583 ESP Fit Center 5690 is at 0.283543 0.051276 -2.946685 ESP Fit Center 5691 is at -0.034435 -1.752062 -2.946685 ESP Fit Center 5692 is at 0.068916 -0.312291 -3.083803 ESP Fit Center 5693 is at -0.227341 -0.016033 -3.083803 ESP Fit Center 5694 is at -1.332989 -0.312291 -3.083803 ESP Fit Center 5695 is at -0.227341 -1.417939 -3.083803 ESP Fit Center 5696 is at 0.068916 -1.121681 -3.083803 ESP Fit Center 5697 is at -0.223536 -0.716986 -3.167109 ESP Fit Center 5698 is at -0.427786 -0.363215 -3.167109 ESP Fit Center 5699 is at -0.836286 -0.363215 -3.167109 ESP Fit Center 5700 is at -0.427786 -1.070757 -3.167109 ESP Fit Center 5701 is at -0.632036 -0.716986 -3.195051 ESP Fit Center 5702 is at 4.959922 2.111234 0.734212 ESP Fit Center 5703 is at 5.621645 1.442977 0.355060 ESP Fit Center 5704 is at 5.425179 1.824067 0.355060 ESP Fit Center 5705 is at 5.160141 2.161090 0.355060 ESP Fit Center 5706 is at 4.836112 2.441863 0.355060 ESP Fit Center 5707 is at 5.853487 1.026807 -0.049033 ESP Fit Center 5708 is at 5.740759 1.435268 -0.049033 ESP Fit Center 5709 is at 5.556908 1.817038 -0.049033 ESP Fit Center 5710 is at 5.307845 2.159844 -0.049033 ESP Fit Center 5711 is at 5.001574 2.452669 -0.049033 ESP Fit Center 5712 is at 5.927931 0.604780 -0.465788 ESP Fit Center 5713 is at 5.891470 1.021536 -0.465788 ESP Fit Center 5714 is at 5.783194 1.425629 -0.465788 ESP Fit Center 5715 is at 5.606392 1.804780 -0.465788 ESP Fit Center 5716 is at 5.366438 2.147471 -0.465788 ESP Fit Center 5717 is at 5.070622 2.443287 -0.465788 ESP Fit Center 5718 is at 5.891470 0.604780 -0.882544 ESP Fit Center 5719 is at 5.853487 1.026807 -0.882544 ESP Fit Center 5720 is at 5.740759 1.435268 -0.882544 ESP Fit Center 5721 is at 5.556908 1.817038 -0.882544 ESP Fit Center 5722 is at 5.307845 2.159844 -0.882544 ESP Fit Center 5723 is at 5.001574 2.452669 -0.882544 ESP Fit Center 5724 is at 5.783194 0.604780 -1.286637 ESP Fit Center 5725 is at 5.742438 1.031592 -1.286637 ESP Fit Center 5726 is at 5.621645 1.442977 -1.286637 ESP Fit Center 5727 is at 5.425179 1.824067 -1.286637 ESP Fit Center 5728 is at 5.160141 2.161090 -1.286637 ESP Fit Center 5729 is at 4.836112 2.441863 -1.286637 ESP Fit Center 5730 is at 5.742438 0.177969 -1.286637 ESP Fit Center 5731 is at 5.606392 0.604780 -1.665788 ESP Fit Center 5732 is at 5.563846 1.023172 -1.665788 ESP Fit Center 5733 is at 5.437949 1.424434 -1.665788 ESP Fit Center 5734 is at 5.233856 1.792139 -1.665788 ESP Fit Center 5735 is at 4.959922 2.111234 -1.665788 ESP Fit Center 5736 is at 4.627362 2.368654 -1.665788 ESP Fit Center 5737 is at 5.563846 0.186389 -1.665788 ESP Fit Center 5738 is at 5.366438 0.604780 -2.008479 ESP Fit Center 5739 is at 5.316881 1.028769 -2.008479 ESP Fit Center 5740 is at 5.170881 1.429901 -2.008479 ESP Fit Center 5741 is at 4.936309 1.786550 -2.008479 ESP Fit Center 5742 is at 4.625811 2.079489 -2.008479 ESP Fit Center 5743 is at 4.256127 2.292927 -2.008479 ESP Fit Center 5744 is at 5.316881 0.180792 -2.008479 ESP Fit Center 5745 is at 5.070622 0.604780 -2.304295 ESP Fit Center 5746 is at 5.013415 1.020993 -2.304295 ESP Fit Center 5747 is at 4.846036 1.406338 -2.304295 ESP Fit Center 5748 is at 4.580900 1.732234 -2.304295 ESP Fit Center 5749 is at 4.237669 1.974512 -2.304295 ESP Fit Center 5750 is at 3.841801 2.115204 -2.304295 ESP Fit Center 5751 is at 4.727931 0.604780 -2.544249 ESP Fit Center 5752 is at 4.655563 1.015205 -2.544249 ESP Fit Center 5753 is at 4.447185 1.376126 -2.544249 ESP Fit Center 5754 is at 4.127931 1.644011 -2.544249 ESP Fit Center 5755 is at 3.736309 1.786550 -2.544249 ESP Fit Center 5756 is at 4.238807 1.015205 -2.721051 ESP Fit Center 5757 is at 3.938356 1.315656 -2.721051 ESP Fit Center 5758 is at 3.527931 1.425629 -2.721051 ESP Fit Center 5759 is at 3.117507 1.315656 -2.721051 ESP Fit Center 5760 is at 3.736309 0.965701 -2.829327 ESP Fit Center 5761 is at 3.319554 0.965701 -2.829327 ESP Fit Center 5762 is at 5.710836 -0.601943 3.543156 ESP Fit Center 5763 is at 5.638467 -0.191519 3.543156 ESP Fit Center 5764 is at 5.430089 -1.373289 3.543156 ESP Fit Center 5765 is at 5.638467 -1.012368 3.543156 ESP Fit Center 5766 is at 6.053526 -0.601943 3.303201 ESP Fit Center 5767 is at 5.996319 -0.185731 3.303201 ESP Fit Center 5768 is at 5.828940 0.199614 3.303201 ESP Fit Center 5769 is at 5.220574 -1.971675 3.303201 ESP Fit Center 5770 is at 5.563804 -1.729397 3.303201 ESP Fit Center 5771 is at 5.828940 -1.403501 3.303201 ESP Fit Center 5772 is at 5.996319 -1.018156 3.303201 ESP Fit Center 5773 is at 6.349342 -0.601943 3.007385 ESP Fit Center 5774 is at 6.299785 -0.177955 3.007385 ESP Fit Center 5775 is at 6.153785 0.223177 3.007385 ESP Fit Center 5776 is at 5.919213 0.579826 3.007385 ESP Fit Center 5777 is at 5.239031 -2.290090 3.007385 ESP Fit Center 5778 is at 5.608716 -2.076652 3.007385 ESP Fit Center 5779 is at 5.919213 -1.783713 3.007385 ESP Fit Center 5780 is at 6.153785 -1.427064 3.007385 ESP Fit Center 5781 is at 6.299785 -1.025932 3.007385 ESP Fit Center 5782 is at 6.589297 -0.601943 2.664695 ESP Fit Center 5783 is at 6.546750 -0.183552 2.664695 ESP Fit Center 5784 is at 6.420854 0.217710 2.664695 ESP Fit Center 5785 is at 6.216760 0.585415 2.664695 ESP Fit Center 5786 is at 5.942827 0.904510 2.664695 ESP Fit Center 5787 is at 5.232696 -2.551025 2.664695 ESP Fit Center 5788 is at 5.610267 -2.365817 2.664695 ESP Fit Center 5789 is at 5.942827 -2.108397 2.664695 ESP Fit Center 5790 is at 6.216760 -1.789302 2.664695 ESP Fit Center 5791 is at 6.420854 -1.421597 2.664695 ESP Fit Center 5792 is at 6.546750 -1.020335 2.664695 ESP Fit Center 5793 is at 6.766098 -0.601943 2.285543 ESP Fit Center 5794 is at 6.725342 -0.175132 2.285543 ESP Fit Center 5795 is at 6.604549 0.236253 2.285543 ESP Fit Center 5796 is at 6.408083 0.617343 2.285543 ESP Fit Center 5797 is at 6.143046 0.954366 2.285543 ESP Fit Center 5798 is at 5.819016 1.235139 2.285543 ESP Fit Center 5799 is at 5.447705 -2.653402 2.285543 ESP Fit Center 5800 is at 5.819016 -2.439026 2.285543 ESP Fit Center 5801 is at 6.143046 -2.158253 2.285543 ESP Fit Center 5802 is at 6.408083 -1.821230 2.285543 ESP Fit Center 5803 is at 6.604549 -1.440140 2.285543 ESP Fit Center 5804 is at 6.725342 -1.028755 2.285543 ESP Fit Center 5805 is at 6.874374 -0.601943 1.881450 ESP Fit Center 5806 is at 6.836391 -0.179917 1.881450 ESP Fit Center 5807 is at 6.723663 0.228544 1.881450 ESP Fit Center 5808 is at 6.539813 0.610314 1.881450 ESP Fit Center 5809 is at 6.290749 0.953120 1.881450 ESP Fit Center 5810 is at 5.984478 1.245945 1.881450 ESP Fit Center 5811 is at 5.241209 -2.849802 1.881450 ESP Fit Center 5812 is at 5.630843 -2.683265 1.881450 ESP Fit Center 5813 is at 5.984478 -2.449832 1.881450 ESP Fit Center 5814 is at 6.290749 -2.157007 1.881450 ESP Fit Center 5815 is at 6.539813 -1.814201 1.881450 ESP Fit Center 5816 is at 6.723663 -1.432431 1.881450 ESP Fit Center 5817 is at 6.836391 -1.023970 1.881450 ESP Fit Center 5818 is at 6.910836 -0.601943 1.464695 ESP Fit Center 5819 is at 6.874374 -0.185188 1.464695 ESP Fit Center 5820 is at 6.766098 0.218905 1.464695 ESP Fit Center 5821 is at 6.589297 0.598057 1.464695 ESP Fit Center 5822 is at 6.349342 0.940747 1.464695 ESP Fit Center 5823 is at 6.053526 1.236563 1.464695 ESP Fit Center 5824 is at 5.331684 -2.857206 1.464695 ESP Fit Center 5825 is at 5.710836 -2.680404 1.464695 ESP Fit Center 5826 is at 6.053526 -2.440450 1.464695 ESP Fit Center 5827 is at 6.349342 -2.144634 1.464695 ESP Fit Center 5828 is at 6.589297 -1.801943 1.464695 ESP Fit Center 5829 is at 6.766098 -1.422792 1.464695 ESP Fit Center 5830 is at 6.874374 -1.018699 1.464695 ESP Fit Center 5831 is at 6.874374 -0.601943 1.047939 ESP Fit Center 5832 is at 6.836391 -0.179917 1.047939 ESP Fit Center 5833 is at 6.723663 0.228544 1.047939 ESP Fit Center 5834 is at 6.539813 0.610314 1.047939 ESP Fit Center 5835 is at 6.290749 0.953120 1.047939 ESP Fit Center 5836 is at 5.984478 1.245945 1.047939 ESP Fit Center 5837 is at 5.241209 -2.849802 1.047939 ESP Fit Center 5838 is at 5.630843 -2.683265 1.047939 ESP Fit Center 5839 is at 5.984478 -2.449832 1.047939 ESP Fit Center 5840 is at 6.290749 -2.157007 1.047939 ESP Fit Center 5841 is at 6.539813 -1.814201 1.047939 ESP Fit Center 5842 is at 6.723663 -1.432431 1.047939 ESP Fit Center 5843 is at 6.836391 -1.023970 1.047939 ESP Fit Center 5844 is at 6.766098 -0.601943 0.643846 ESP Fit Center 5845 is at 6.725342 -0.175132 0.643846 ESP Fit Center 5846 is at 6.604549 0.236253 0.643846 ESP Fit Center 5847 is at 6.408083 0.617343 0.643846 ESP Fit Center 5848 is at 6.143046 0.954366 0.643846 ESP Fit Center 5849 is at 5.447705 -2.653402 0.643846 ESP Fit Center 5850 is at 5.819016 -2.439026 0.643846 ESP Fit Center 5851 is at 6.143046 -2.158253 0.643846 ESP Fit Center 5852 is at 6.408083 -1.821230 0.643846 ESP Fit Center 5853 is at 6.604549 -1.440140 0.643846 ESP Fit Center 5854 is at 6.725342 -1.028755 0.643846 ESP Fit Center 5855 is at 6.589297 -0.601943 0.264695 ESP Fit Center 5856 is at 6.546750 -0.183552 0.264695 ESP Fit Center 5857 is at 6.420854 0.217710 0.264695 ESP Fit Center 5858 is at 6.216760 0.585415 0.264695 ESP Fit Center 5859 is at 5.942827 0.904510 0.264695 ESP Fit Center 5860 is at 5.942827 -2.108397 0.264695 ESP Fit Center 5861 is at 6.216760 -1.789302 0.264695 ESP Fit Center 5862 is at 6.420854 -1.421597 0.264695 ESP Fit Center 5863 is at 6.546750 -1.020335 0.264695 ESP Fit Center 5864 is at 6.349342 -0.601943 -0.077996 ESP Fit Center 5865 is at 6.299785 -0.177955 -0.077996 ESP Fit Center 5866 is at 6.153785 0.223177 -0.077996 ESP Fit Center 5867 is at 5.919213 0.579826 -0.077996 ESP Fit Center 5868 is at 6.153785 -1.427064 -0.077996 ESP Fit Center 5869 is at 6.299785 -1.025932 -0.077996 ESP Fit Center 5870 is at 6.053526 -0.601943 -0.373812 ESP Fit Center 5871 is at 3.209284 0.471729 4.379285 ESP Fit Center 5872 is at 3.626039 0.471729 4.342824 ESP Fit Center 5873 is at 3.417661 0.832650 4.342824 ESP Fit Center 5874 is at 3.000906 0.832650 4.342824 ESP Fit Center 5875 is at 2.792528 0.471729 4.342824 ESP Fit Center 5876 is at 3.000906 0.110808 4.342824 ESP Fit Center 5877 is at 4.030132 0.471729 4.234548 ESP Fit Center 5878 is at 3.920159 0.882153 4.234548 ESP Fit Center 5879 is at 3.619708 1.182604 4.234548 ESP Fit Center 5880 is at 3.209284 1.292577 4.234548 ESP Fit Center 5881 is at 2.798859 1.182604 4.234548 ESP Fit Center 5882 is at 2.498408 0.882153 4.234548 ESP Fit Center 5883 is at 2.388435 0.471729 4.234548 ESP Fit Center 5884 is at 2.498408 0.061305 4.234548 ESP Fit Center 5885 is at 4.336915 0.882153 4.057746 ESP Fit Center 5886 is at 4.128537 1.243074 4.057746 ESP Fit Center 5887 is at 3.809284 1.510959 4.057746 ESP Fit Center 5888 is at 3.417661 1.653498 4.057746 ESP Fit Center 5889 is at 3.000906 1.653498 4.057746 ESP Fit Center 5890 is at 2.609284 1.510959 4.057746 ESP Fit Center 5891 is at 2.290030 1.243074 4.057746 ESP Fit Center 5892 is at 2.081652 0.882153 4.057746 ESP Fit Center 5893 is at 2.009284 0.471729 4.057746 ESP Fit Center 5894 is at 2.081652 0.061305 4.057746 ESP Fit Center 5895 is at 4.694767 0.887942 3.817792 ESP Fit Center 5896 is at 4.527388 1.273286 3.817792 ESP Fit Center 5897 is at 4.262252 1.599182 3.817792 ESP Fit Center 5898 is at 3.919021 1.841461 3.817792 ESP Fit Center 5899 is at 3.523153 1.982152 3.817792 ESP Fit Center 5900 is at 3.104007 2.010823 3.817792 ESP Fit Center 5901 is at 2.692668 1.925346 3.817792 ESP Fit Center 5902 is at 2.319645 1.732060 3.817792 ESP Fit Center 5903 is at 2.012601 1.445302 3.817792 ESP Fit Center 5904 is at 1.794311 1.086338 3.817792 ESP Fit Center 5905 is at 1.680962 0.681792 3.817792 ESP Fit Center 5906 is at 1.680962 0.261666 3.817792 ESP Fit Center 5907 is at 4.852233 1.296849 3.521976 ESP Fit Center 5908 is at 4.617661 1.653498 3.521976 ESP Fit Center 5909 is at 4.307164 1.946438 3.521976 ESP Fit Center 5910 is at 3.937479 2.159875 3.521976 ESP Fit Center 5911 is at 3.528537 2.282304 3.521976 ESP Fit Center 5912 is at 3.102384 2.307125 3.521976 ESP Fit Center 5913 is at 2.681994 2.232999 3.521976 ESP Fit Center 5914 is at 2.290030 2.063922 3.521976 ESP Fit Center 5915 is at 1.947624 1.809010 3.521976 ESP Fit Center 5916 is at 1.673234 1.482005 3.521976 ESP Fit Center 5917 is at 1.481652 1.100535 3.521976 ESP Fit Center 5918 is at 1.383208 0.685166 3.521976 ESP Fit Center 5919 is at 1.383208 0.258291 3.521976 ESP Fit Center 5920 is at 4.915208 1.659088 3.179285 ESP Fit Center 5921 is at 4.641274 1.978182 3.179285 ESP Fit Center 5922 is at 4.308715 2.235603 3.179285 ESP Fit Center 5923 is at 3.931144 2.420810 3.179285 ESP Fit Center 5924 is at 3.524020 2.526222 3.179285 ESP Fit Center 5925 is at 3.104011 2.547522 3.179285 ESP Fit Center 5926 is at 2.688312 2.483839 3.179285 ESP Fit Center 5927 is at 2.293942 2.337781 3.179285 ESP Fit Center 5928 is at 1.937045 2.115325 3.179285 ESP Fit Center 5929 is at 1.632235 1.825581 3.179285 ESP Fit Center 5930 is at 1.391988 1.480410 3.179285 ESP Fit Center 5931 is at 1.226142 1.093943 3.179285 ESP Fit Center 5932 is at 1.141487 0.682003 3.179285 ESP Fit Center 5933 is at 5.106531 1.691016 2.800134 ESP Fit Center 5934 is at 4.841494 2.028038 2.800134 ESP Fit Center 5935 is at 4.517464 2.308811 2.800134 ESP Fit Center 5936 is at 4.146153 2.523188 2.800134 ESP Fit Center 5937 is at 3.740982 2.663419 2.800134 ESP Fit Center 5938 is at 3.316593 2.724437 2.800134 ESP Fit Center 5939 is at 2.888326 2.704036 2.800134 ESP Fit Center 5940 is at 2.471660 2.602954 2.800134 ESP Fit Center 5941 is at 2.081652 2.424843 2.800134 ESP Fit Center 5942 is at 1.732401 2.176142 2.800134 ESP Fit Center 5943 is at 1.436528 1.865839 2.800134 ESP Fit Center 5944 is at 0.964233 0.686105 2.800134 ESP Fit Center 5945 is at 4.989197 2.026792 2.396041 ESP Fit Center 5946 is at 4.682926 2.319618 2.396041 ESP Fit Center 5947 is at 4.329291 2.553050 2.396041 ESP Fit Center 5948 is at 3.939657 2.719588 2.396041 ESP Fit Center 5949 is at 3.526549 2.813877 2.396041 ESP Fit Center 5950 is at 3.103244 2.832888 2.396041 ESP Fit Center 5951 is at 4.751974 2.310235 1.979285 ESP Fit Center 5952 is at 4.409284 2.550190 1.979285 ESP Fit Center 5953 is at 4.030132 2.726991 1.979285 ESP Fit Center 5954 is at 4.682926 2.319618 1.562530 ESP Fit Center 5955 is at 4.329291 2.553050 1.562530 ESP Fit Center 5956 is at -3.307516 0.032695 3.197040 ESP Fit Center 5957 is at -2.899016 0.032695 3.169098 ESP Fit Center 5958 is at -3.103266 0.386466 3.169098 ESP Fit Center 5959 is at -3.511766 0.386466 3.169098 ESP Fit Center 5960 is at -3.716016 0.032695 3.169098 ESP Fit Center 5961 is at -3.511766 -0.321077 3.169098 ESP Fit Center 5962 is at -3.103266 -0.321077 3.169098 ESP Fit Center 5963 is at -2.498126 0.032695 3.085792 ESP Fit Center 5964 is at -2.606564 0.437390 3.085792 ESP Fit Center 5965 is at -2.902821 0.733647 3.085792 ESP Fit Center 5966 is at -3.307516 0.842085 3.085792 ESP Fit Center 5967 is at -3.712211 -0.668258 3.085792 ESP Fit Center 5968 is at -3.307516 -0.776696 3.085792 ESP Fit Center 5969 is at -2.606564 -0.372000 3.085792 ESP Fit Center 5970 is at -2.112313 0.032695 2.948674 ESP Fit Center 5971 is at -2.184393 0.441478 2.948674 ESP Fit Center 5972 is at -2.391937 0.800957 2.948674 ESP Fit Center 5973 is at -2.709915 1.067771 2.948674 ESP Fit Center 5974 is at -3.099971 1.209740 2.948674 ESP Fit Center 5975 is at -2.184393 -0.376089 2.948674 ESP Fit Center 5976 is at -1.748764 0.032695 2.760298 ESP Fit Center 5977 is at -1.806567 0.453241 2.760298 ESP Fit Center 5978 is at -1.975688 0.842597 2.760298 ESP Fit Center 5979 is at -2.590389 1.416687 2.760298 ESP Fit Center 5980 is at -2.990379 1.558844 2.760298 ESP Fit Center 5981 is at -3.413889 1.587813 2.760298 ESP Fit Center 5982 is at -3.205017 1.923182 2.524174 ESP Fit Center 5983 is at -5.191005 -1.850794 -1.183155 ESP Fit Center 5984 is at -5.076966 -1.663185 -1.533001 ESP Fit Center 5985 is at -5.030944 -1.322624 -1.850619 ESP Fit Center 5986 is at -4.743304 -1.624292 -1.850619 ESP Fit Center 5987 is at -5.101674 -0.571827 -2.130094 ESP Fit Center 5988 is at -4.929773 -0.943385 -2.130094 ESP Fit Center 5989 is at -4.682017 -1.269302 -2.130094 ESP Fit Center 5990 is at -4.369991 -1.534339 -2.130094 ESP Fit Center 5991 is at -4.516658 1.016404 -2.366218 ESP Fit Center 5992 is at -4.737221 0.653703 -2.366218 ESP Fit Center 5993 is at -4.851750 0.244945 -2.366218 ESP Fit Center 5994 is at -4.851750 -0.179555 -2.366218 ESP Fit Center 5995 is at -4.737221 -0.588314 -2.366218 ESP Fit Center 5996 is at -4.516658 -0.951015 -2.366218 ESP Fit Center 5997 is at -4.206418 -1.240759 -2.366218 ESP Fit Center 5998 is at -4.223095 0.800957 -2.554594 ESP Fit Center 5999 is at -4.430640 0.441478 -2.554594 ESP Fit Center 6000 is at -4.502720 0.032695 -2.554594 ESP Fit Center 6001 is at -4.430640 -0.376089 -2.554594 ESP Fit Center 6002 is at -4.223095 -0.735567 -2.554594 ESP Fit Center 6003 is at -4.008469 0.437390 -2.691712 ESP Fit Center 6004 is at -4.116907 0.032695 -2.691712 ESP Fit Center 6005 is at -4.008469 -0.372000 -2.691712 ESP Fit Center 6006 is at -3.712211 -0.668258 -2.691712 ESP Fit Center 6007 is at -3.716016 0.032695 -2.775018 ESP Fit Center 6008 is at -3.511766 -0.321077 -2.775018 ESP Fit Center 6009 is at -2.821953 3.065546 1.855495 ESP Fit Center 6010 is at -3.213575 2.923007 1.855495 ESP Fit Center 6011 is at -2.299705 3.394200 1.615540 ESP Fit Center 6012 is at -2.718852 3.422871 1.615540 ESP Fit Center 6013 is at -3.130191 3.337394 1.615540 ESP Fit Center 6014 is at -3.503214 3.144108 1.615540 ESP Fit Center 6015 is at -3.810257 2.857350 1.615540 ESP Fit Center 6016 is at -1.885380 3.571923 1.319724 ESP Fit Center 6017 is at -2.294322 3.694352 1.319724 ESP Fit Center 6018 is at -2.720475 3.719173 1.319724 ESP Fit Center 6019 is at -3.140865 3.645047 1.319724 ESP Fit Center 6020 is at -3.532828 3.475970 1.319724 ESP Fit Center 6021 is at -3.875235 3.221058 1.319724 ESP Fit Center 6022 is at -1.891715 3.832858 0.977034 ESP Fit Center 6023 is at -2.298838 3.938270 0.977034 ESP Fit Center 6024 is at -2.718847 3.959570 0.977034 ESP Fit Center 6025 is at -3.134547 3.895887 0.977034 ESP Fit Center 6026 is at -3.528917 3.749829 0.977034 ESP Fit Center 6027 is at -3.885813 3.527373 0.977034 ESP Fit Center 6028 is at -4.190624 3.237629 0.977034 ESP Fit Center 6029 is at -2.081877 4.075467 0.597882 ESP Fit Center 6030 is at -2.506265 4.136485 0.597882 ESP Fit Center 6031 is at -2.934532 4.116084 0.597882 ESP Fit Center 6032 is at -3.351199 4.015002 0.597882 ESP Fit Center 6033 is at -3.741206 3.836891 0.597882 ESP Fit Center 6034 is at -4.090458 3.588190 0.597882 ESP Fit Center 6035 is at -4.386331 3.277887 0.597882 ESP Fit Center 6036 is at -1.883201 4.131636 0.193789 ESP Fit Center 6037 is at -2.296310 4.225925 0.193789 ESP Fit Center 6038 is at -2.719615 4.244936 0.193789 ESP Fit Center 6039 is at -3.139512 4.188057 0.193789 ESP Fit Center 6040 is at -3.542505 4.057116 0.193789 ESP Fit Center 6041 is at -3.915641 3.856323 0.193789 ESP Fit Center 6042 is at -4.246928 3.592130 0.193789 ESP Fit Center 6043 is at -4.525718 3.273030 0.193789 ESP Fit Center 6044 is at -2.196819 4.247315 -0.222966 ESP Fit Center 6045 is at -2.613575 4.283777 -0.222966 ESP Fit Center 6046 is at -3.030331 4.247315 -0.222966 ESP Fit Center 6047 is at -3.434423 4.139039 -0.222966 ESP Fit Center 6048 is at -3.813575 3.962238 -0.222966 ESP Fit Center 6049 is at -4.156265 3.722284 -0.222966 ESP Fit Center 6050 is at -4.452082 3.426467 -0.222966 ESP Fit Center 6051 is at -1.883201 4.131636 -0.639722 ESP Fit Center 6052 is at -2.296310 4.225925 -0.639722 ESP Fit Center 6053 is at -2.719615 4.244936 -0.639722 ESP Fit Center 6054 is at -3.139512 4.188057 -0.639722 ESP Fit Center 6055 is at -3.542505 4.057116 -0.639722 ESP Fit Center 6056 is at -3.915641 3.856323 -0.639722 ESP Fit Center 6057 is at -4.246928 3.592130 -0.639722 ESP Fit Center 6058 is at -4.525718 3.273030 -0.639722 ESP Fit Center 6059 is at -2.081877 4.075467 -1.043815 ESP Fit Center 6060 is at -2.506265 4.136485 -1.043815 ESP Fit Center 6061 is at -2.934532 4.116084 -1.043815 ESP Fit Center 6062 is at -3.351199 4.015002 -1.043815 ESP Fit Center 6063 is at -3.741206 3.836891 -1.043815 ESP Fit Center 6064 is at -4.090458 3.588190 -1.043815 ESP Fit Center 6065 is at -4.386331 3.277887 -1.043815 ESP Fit Center 6066 is at -4.618132 2.917198 -1.043815 ESP Fit Center 6067 is at -1.891715 3.832858 -1.422966 ESP Fit Center 6068 is at -2.298838 3.938270 -1.422966 ESP Fit Center 6069 is at -2.718847 3.959570 -1.422966 ESP Fit Center 6070 is at -3.134547 3.895887 -1.422966 ESP Fit Center 6071 is at -3.528917 3.749829 -1.422966 ESP Fit Center 6072 is at -3.885813 3.527373 -1.422966 ESP Fit Center 6073 is at -4.190624 3.237629 -1.422966 ESP Fit Center 6074 is at -4.430870 2.892458 -1.422966 ESP Fit Center 6075 is at -4.596716 2.505991 -1.422966 ESP Fit Center 6076 is at -1.885380 3.571923 -1.765656 ESP Fit Center 6077 is at -2.294322 3.694352 -1.765656 ESP Fit Center 6078 is at -2.720475 3.719173 -1.765656 ESP Fit Center 6079 is at -3.140865 3.645047 -1.765656 ESP Fit Center 6080 is at -3.532828 3.475970 -1.765656 ESP Fit Center 6081 is at -3.875235 3.221058 -1.765656 ESP Fit Center 6082 is at -4.149625 2.894053 -1.765656 ESP Fit Center 6083 is at -2.299705 3.394200 -2.061473 ESP Fit Center 6084 is at -2.718852 3.422871 -2.061473 ESP Fit Center 6085 is at -3.130191 3.337394 -2.061473 ESP Fit Center 6086 is at -3.503214 3.144108 -2.061473 ESP Fit Center 6087 is at -3.810257 2.857350 -2.061473 ESP Fit Center 6088 is at -2.821953 3.065546 -2.301427 ESP Fit Center 6089 is at -3.213575 2.923007 -2.301427 ESP Fit Center 6090 is at 0.891398 -3.132512 1.951686 ESP Fit Center 6091 is at 1.308153 -3.132512 1.951686 ESP Fit Center 6092 is at 0.583160 -3.404359 1.711731 ESP Fit Center 6093 is at 0.994499 -3.489837 1.711731 ESP Fit Center 6094 is at 1.413645 -3.461166 1.711731 ESP Fit Center 6095 is at 0.572486 -3.712013 1.415915 ESP Fit Center 6096 is at 0.992876 -3.786139 1.415915 ESP Fit Center 6097 is at 1.419029 -3.761318 1.415915 ESP Fit Center 6098 is at 1.827971 -3.638889 1.415915 ESP Fit Center 6099 is at 0.578804 -3.962853 1.073225 ESP Fit Center 6100 is at 0.994503 -4.026536 1.073225 ESP Fit Center 6101 is at 1.414512 -4.005236 1.073225 ESP Fit Center 6102 is at 1.821636 -3.899824 1.073225 ESP Fit Center 6103 is at 2.199207 -3.714617 1.073225 ESP Fit Center 6104 is 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-0.543531 ESP Fit Center 6123 is at 1.830149 -4.198602 -0.543531 ESP Fit Center 6124 is at 2.219782 -4.032064 -0.543531 ESP Fit Center 6125 is at 0.362152 -4.081967 -0.947624 ESP Fit Center 6126 is at 0.778818 -4.183050 -0.947624 ESP Fit Center 6127 is at 1.207085 -4.203451 -0.947624 ESP Fit Center 6128 is at 1.631474 -4.142433 -0.947624 ESP Fit Center 6129 is at 2.036645 -4.002201 -0.947624 ESP Fit Center 6130 is at 0.184434 -3.816794 -1.326775 ESP Fit Center 6131 is at 0.578804 -3.962853 -1.326775 ESP Fit Center 6132 is at 0.994503 -4.026536 -1.326775 ESP Fit Center 6133 is at 1.414512 -4.005236 -1.326775 ESP Fit Center 6134 is at 1.821636 -3.899824 -1.326775 ESP Fit Center 6135 is at 0.572486 -3.712013 -1.669466 ESP Fit Center 6136 is at 0.992876 -3.786139 -1.669466 ESP Fit Center 6137 is at 1.419029 -3.761318 -1.669466 ESP Fit Center 6138 is at 1.827971 -3.638889 -1.669466 ESP Fit Center 6139 is at 0.583160 -3.404359 -1.965282 ESP Fit Center 6140 is at 0.994499 -3.489837 -1.965282 ESP Fit Center 6141 is at 1.413645 -3.461166 -1.965282 ESP Fit Center 6142 is at 0.891398 -3.132512 -2.205236 ESP Fit Center 6143 is at 1.308153 -3.132512 -2.205236 ESP Fit Center 6144 is at -1.343083 -1.701490 2.649061 ESP Fit Center 6145 is at -1.547333 -2.055262 2.649061 ESP Fit Center 6146 is at -1.751583 -2.510881 2.565755 ESP Fit Center 6147 is at -1.346888 -2.402443 2.565755 ESP Fit Center 6148 is at -1.050630 -2.106186 2.565755 ESP Fit Center 6149 is at -0.836004 -2.469752 2.428637 ESP Fit Center 6150 is at -3.559936 -4.016077 0.287371 ESP Fit Center 6151 is at -3.594262 -4.060012 -0.118270 ESP Fit Center 6152 is at -3.904572 -3.780607 -0.527724 ESP Fit Center 6153 is at -3.594262 -4.060012 -0.527724 ESP Fit Center 6154 is at -3.248086 -4.293510 -0.527724 ESP Fit Center 6155 is at -4.127870 -3.427964 -0.933365 ESP Fit Center 6156 is at -3.864465 -3.741877 -0.933365 ESP Fit Center 6157 is at -3.559936 -4.016077 -0.933365 ESP Fit Center 6158 is at -3.220209 -4.245225 -0.933365 ESP Fit Center 6159 is at -2.851897 -4.424863 -0.933365 ESP Fit Center 6160 is at -4.216677 -3.084968 -1.327636 ESP Fit Center 6161 is at -3.988972 -3.429146 -1.327636 ESP Fit Center 6162 is at -3.713580 -3.736501 -1.327636 ESP Fit Center 6163 is at -3.396372 -4.000484 -1.327636 ESP Fit Center 6164 is at -3.044108 -4.215467 -1.327636 ESP Fit Center 6165 is at -2.664296 -4.376870 -1.327636 ESP Fit Center 6166 is at -2.265031 -4.481252 -1.327636 ESP Fit Center 6167 is at -0.278998 -4.114413 -1.327636 ESP Fit Center 6168 is at 0.056634 -3.874289 -1.327636 ESP Fit Center 6169 is at -2.960857 -4.074825 -1.703192 ESP Fit Center 6170 is at -2.574698 -4.234777 -1.703192 ESP Fit Center 6171 is at -2.168270 -4.332352 -1.703192 ESP Fit Center 6172 is at -1.751583 -4.365146 -1.703192 ESP Fit Center 6173 is at -1.334895 -4.332352 -1.703192 ESP Fit Center 6174 is at -0.928468 -4.234777 -1.703192 ESP Fit Center 6175 is at -0.542309 -4.074825 -1.703192 ESP Fit Center 6176 is at -0.185925 -3.856433 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ESP Fit Center 6195 is at 2.931252 -2.089842 4.111821 ESP Fit Center 6196 is at 3.341676 -1.979870 4.111821 ESP Fit Center 6197 is at 1.803621 -0.858570 3.935019 ESP Fit Center 6198 is at 1.731252 -1.268994 3.935019 ESP Fit Center 6199 is at 1.803621 -1.679418 3.935019 ESP Fit Center 6200 is at 2.011999 -2.040339 3.935019 ESP Fit Center 6201 is at 2.331252 -2.308225 3.935019 ESP Fit Center 6202 is at 2.722874 -2.450763 3.935019 ESP Fit Center 6203 is at 3.139630 -2.450763 3.935019 ESP Fit Center 6204 is at 3.531252 -2.308225 3.935019 ESP Fit Center 6205 is at 3.850505 -2.040339 3.935019 ESP Fit Center 6206 is at 1.402931 -1.058931 3.695065 ESP Fit Center 6207 is at 1.402931 -1.479057 3.695065 ESP Fit Center 6208 is at 1.516279 -1.883604 3.695065 ESP Fit Center 6209 is at 1.734570 -2.242567 3.695065 ESP Fit Center 6210 is at 2.041613 -2.529326 3.695065 ESP Fit Center 6211 is at 2.414637 -2.722611 3.695065 ESP Fit Center 6212 is at 2.825975 -2.808088 3.695065 ESP Fit Center 6213 is at 3.245122 -2.779418 3.695065 ESP Fit Center 6214 is at 3.640990 -2.638726 3.695065 ESP Fit Center 6215 is at 3.984220 -2.396448 3.695065 ESP Fit Center 6216 is at 1.203621 -0.640188 3.399249 ESP Fit Center 6217 is at 1.105177 -1.055557 3.399249 ESP Fit Center 6218 is at 1.105177 -1.482432 3.399249 ESP Fit Center 6219 is at 1.203621 -1.897800 3.399249 ESP Fit Center 6220 is at 1.395202 -2.279270 3.399249 ESP Fit Center 6221 is at 1.669592 -2.606275 3.399249 ESP Fit Center 6222 is at 2.011999 -2.861188 3.399249 ESP Fit Center 6223 is at 2.403962 -3.030264 3.399249 ESP Fit Center 6224 is at 2.824352 -3.104390 3.399249 ESP Fit Center 6225 is at 3.250505 -3.079570 3.399249 ESP Fit Center 6226 is at 3.659447 -2.957141 3.399249 ESP Fit Center 6227 is at 4.029132 -2.743703 3.399249 ESP Fit Center 6228 is at 0.863455 -1.058720 3.056558 ESP Fit Center 6229 is at 0.863455 -1.479269 3.056558 ESP Fit Center 6230 is at 0.948111 -1.891209 3.056558 ESP Fit Center 6231 is at 1.113957 -2.277675 3.056558 ESP Fit Center 6232 is at 1.354203 -2.622846 3.056558 ESP Fit Center 6233 is at 1.659014 -2.912591 3.056558 ESP Fit Center 6234 is at 2.015910 -3.135046 3.056558 ESP Fit Center 6235 is at 2.410281 -3.281105 3.056558 ESP Fit Center 6236 is at 2.825980 -3.344787 3.056558 ESP Fit Center 6237 is at 3.245989 -3.323487 3.056558 ESP Fit Center 6238 is at 3.653113 -3.218075 3.056558 ESP Fit Center 6239 is at 4.030683 -3.032868 3.056558 ESP Fit Center 6240 is at 4.363243 -2.775448 3.056558 ESP Fit Center 6241 is at 0.926695 -2.302415 2.677407 ESP Fit Center 6242 is at 1.158496 -2.663105 2.677407 ESP Fit Center 6243 is at 1.454369 -2.973408 2.677407 ESP Fit Center 6244 is at 1.803621 -3.222109 2.677407 ESP Fit Center 6245 is at 2.193628 -3.400219 2.677407 ESP Fit Center 6246 is at 2.610295 -3.501301 2.677407 ESP Fit Center 6247 is at 3.038562 -3.521702 2.677407 ESP Fit Center 6248 is at 3.462950 -3.460684 2.677407 ESP Fit Center 6249 is at 3.868122 -3.320453 2.677407 ESP Fit Center 6250 is at 4.239433 -3.106077 2.677407 ESP Fit Center 6251 is at 1.297899 -2.977348 2.273314 ESP Fit Center 6252 is at 1.629186 -3.241540 2.273314 ESP Fit Center 6253 is at 2.002322 -3.442334 2.273314 ESP Fit Center 6254 is at 2.405315 -3.573274 2.273314 ESP Fit Center 6255 is at 2.825212 -3.630153 2.273314 ESP Fit Center 6256 is at 3.248518 -3.611142 2.273314 ESP Fit Center 6257 is at 3.661626 -3.516853 2.273314 ESP Fit Center 6258 is at 4.051259 -3.350316 2.273314 ESP Fit Center 6259 is at 1.731252 -3.347455 1.856558 ESP Fit Center 6260 is at 2.110404 -3.524256 1.856558 ESP Fit Center 6261 is at 2.514496 -3.632533 1.856558 ESP Fit Center 6262 is at 2.931252 -3.668994 1.856558 ESP Fit Center 6263 is at 3.348008 -3.632533 1.856558 ESP Fit Center 6264 is at 3.752100 -3.524256 1.856558 ESP Fit Center 6265 is at 4.131252 -3.347455 1.856558 ESP Fit Center 6266 is at 2.405315 -3.573274 1.439803 ESP Fit Center 6267 is at 2.825212 -3.630153 1.439803 ESP Fit Center 6268 is at 3.248518 -3.611142 1.439803 ESP Fit Center 6269 is at 3.661626 -3.516853 1.439803 ESP Fit Center 6270 is at 2.610295 -3.501301 1.035710 ESP Fit Center 6271 is at 5.573736 -0.410831 -2.067832 ESP Fit Center 6272 is at 5.389885 -0.029062 -2.067832 ESP Fit Center 6273 is at 5.616171 -1.241319 -2.471925 ESP Fit Center 6274 is at 5.575415 -0.814508 -2.471925 ESP Fit Center 6275 is at 5.454622 -0.403123 -2.471925 ESP Fit Center 6276 is at 5.258156 -0.022033 -2.471925 ESP Fit Center 6277 is at 4.993118 0.314990 -2.471925 ESP Fit Center 6278 is at 5.258156 -2.460606 -2.471925 ESP Fit Center 6279 is at 5.454622 -2.079516 -2.471925 ESP Fit Center 6280 is at 5.575415 -1.668131 -2.471925 ESP Fit Center 6281 is at 5.439369 -1.241319 -2.851077 ESP Fit Center 6282 is at 5.396823 -0.822928 -2.851077 ESP Fit Center 6283 is at 5.270926 -0.421666 -2.851077 ESP Fit Center 6284 is at 5.066833 -0.053961 -2.851077 ESP Fit Center 6285 is at 4.792899 0.265134 -2.851077 ESP Fit Center 6286 is at 4.460339 0.522555 -2.851077 ESP Fit Center 6287 is at 4.082769 0.707762 -2.851077 ESP Fit Center 6288 is at 3.255636 0.834474 -2.851077 ESP Fit Center 6289 is at 2.839937 0.770791 -2.851077 ESP Fit Center 6290 is at 1.543613 -2.250001 -2.851077 ESP Fit Center 6291 is at 1.783859 -2.595172 -2.851077 ESP Fit Center 6292 is at 2.088670 -2.884916 -2.851077 ESP Fit Center 6293 is at 2.445566 -3.107371 -2.851077 ESP Fit Center 6294 is at 2.839937 -3.253430 -2.851077 ESP Fit Center 6295 is at 3.255636 -3.317113 -2.851077 ESP Fit Center 6296 is at 3.675645 -3.295812 -2.851077 ESP Fit Center 6297 is at 4.082769 -3.190401 -2.851077 ESP Fit Center 6298 is at 4.460339 -3.005193 -2.851077 ESP Fit Center 6299 is at 4.792899 -2.747773 -2.851077 ESP Fit Center 6300 is at 5.066833 -2.428678 -2.851077 ESP Fit Center 6301 is at 5.270926 -2.060973 -2.851077 ESP Fit Center 6302 is at 5.396823 -1.659711 -2.851077 ESP Fit Center 6303 is at 5.199415 -1.241319 -3.193767 ESP Fit Center 6304 is at 5.149858 -0.817331 -3.193767 ESP Fit Center 6305 is at 5.003858 -0.416199 -3.193767 ESP Fit Center 6306 is at 4.769286 -0.059550 -3.193767 ESP Fit Center 6307 is at 4.458788 0.233389 -3.193767 ESP Fit Center 6308 is at 4.089104 0.446827 -3.193767 ESP Fit Center 6309 is at 3.680162 0.569256 -3.193767 ESP Fit Center 6310 is at 3.254009 0.594077 -3.193767 ESP Fit Center 6311 is at 2.833619 0.519951 -3.193767 ESP Fit Center 6312 is at 2.441655 0.350874 -3.193767 ESP Fit Center 6313 is at 2.099248 0.095962 -3.193767 ESP Fit Center 6314 is at 1.824858 -0.231044 -3.193767 ESP Fit Center 6315 is at 1.633277 -0.612513 -3.193767 ESP Fit Center 6316 is at 1.534833 -1.027882 -3.193767 ESP Fit Center 6317 is at 1.534833 -1.454757 -3.193767 ESP Fit Center 6318 is at 1.633277 -1.870126 -3.193767 ESP Fit Center 6319 is at 1.824858 -2.251595 -3.193767 ESP Fit Center 6320 is at 2.099248 -2.578601 -3.193767 ESP Fit Center 6321 is at 2.441655 -2.833513 -3.193767 ESP Fit Center 6322 is at 2.833619 -3.002590 -3.193767 ESP Fit Center 6323 is at 3.254009 -3.076716 -3.193767 ESP Fit Center 6324 is at 3.680162 -3.051895 -3.193767 ESP Fit Center 6325 is at 4.089104 -2.929466 -3.193767 ESP Fit Center 6326 is at 4.458788 -2.716028 -3.193767 ESP Fit Center 6327 is at 4.769286 -2.423089 -3.193767 ESP Fit Center 6328 is at 5.003858 -2.066440 -3.193767 ESP Fit Center 6329 is at 5.149858 -1.665308 -3.193767 ESP Fit Center 6330 is at 4.903599 -1.241319 -3.489584 ESP Fit Center 6331 is at 4.846391 -0.825107 -3.489584 ESP Fit Center 6332 is at 4.679013 -0.439762 -3.489584 ESP Fit Center 6333 is at 4.413876 -0.113866 -3.489584 ESP Fit Center 6334 is at 4.070646 0.128412 -3.489584 ESP Fit Center 6335 is at 3.674778 0.269104 -3.489584 ESP Fit Center 6336 is at 3.255631 0.297774 -3.489584 ESP Fit Center 6337 is at 2.844293 0.212297 -3.489584 ESP Fit Center 6338 is at 2.471269 0.019012 -3.489584 ESP Fit Center 6339 is at 2.164226 -0.267746 -3.489584 ESP Fit Center 6340 is at 1.945935 -0.626710 -3.489584 ESP Fit Center 6341 is at 1.832587 -1.031256 -3.489584 ESP Fit Center 6342 is at 1.832587 -1.451382 -3.489584 ESP Fit Center 6343 is at 1.945935 -1.855929 -3.489584 ESP Fit Center 6344 is at 2.164226 -2.214893 -3.489584 ESP Fit Center 6345 is at 2.471269 -2.501651 -3.489584 ESP Fit Center 6346 is at 2.844293 -2.694936 -3.489584 ESP Fit Center 6347 is at 3.255631 -2.780413 -3.489584 ESP Fit Center 6348 is at 3.674778 -2.751743 -3.489584 ESP Fit Center 6349 is at 4.070646 -2.611051 -3.489584 ESP Fit Center 6350 is at 4.413876 -2.368773 -3.489584 ESP Fit Center 6351 is at 4.679013 -2.042877 -3.489584 ESP Fit Center 6352 is at 4.846391 -1.657532 -3.489584 ESP Fit Center 6353 is at 4.560908 -1.241319 -3.729538 ESP Fit Center 6354 is at 4.488539 -0.830895 -3.729538 ESP Fit Center 6355 is at 4.280162 -0.469974 -3.729538 ESP Fit Center 6356 is at 3.960908 -0.202089 -3.729538 ESP Fit Center 6357 is at 3.569286 -0.059550 -3.729538 ESP Fit Center 6358 is at 3.152531 -0.059550 -3.729538 ESP Fit Center 6359 is at 2.760908 -0.202089 -3.729538 ESP Fit Center 6360 is at 2.441655 -0.469974 -3.729538 ESP Fit Center 6361 is at 2.233277 -0.830895 -3.729538 ESP Fit Center 6362 is at 2.160908 -1.241319 -3.729538 ESP Fit Center 6363 is at 2.233277 -1.651744 -3.729538 ESP Fit Center 6364 is at 2.441655 -2.012665 -3.729538 ESP Fit Center 6365 is at 2.760908 -2.280550 -3.729538 ESP Fit Center 6366 is at 3.152531 -2.423089 -3.729538 ESP Fit Center 6367 is at 3.569286 -2.423089 -3.729538 ESP Fit Center 6368 is at 3.960908 -2.280550 -3.729538 ESP Fit Center 6369 is at 4.280162 -2.012665 -3.729538 ESP Fit Center 6370 is at 4.488539 -1.651744 -3.729538 ESP Fit Center 6371 is at 4.181757 -1.241319 -3.906339 ESP Fit Center 6372 is at 4.071784 -0.830895 -3.906339 ESP Fit Center 6373 is at 3.771332 -0.530444 -3.906339 ESP Fit Center 6374 is at 3.360908 -0.420471 -3.906339 ESP Fit Center 6375 is at 2.950484 -0.530444 -3.906339 ESP Fit Center 6376 is at 2.650033 -0.830895 -3.906339 ESP Fit Center 6377 is at 2.540060 -1.241319 -3.906339 ESP Fit Center 6378 is at 2.650033 -1.651744 -3.906339 ESP Fit Center 6379 is at 2.950484 -1.952195 -3.906339 ESP Fit Center 6380 is at 3.360908 -2.062168 -3.906339 ESP Fit Center 6381 is at 3.771332 -1.952195 -3.906339 ESP Fit Center 6382 is at 4.071784 -1.651744 -3.906339 ESP Fit Center 6383 is at 3.777664 -1.241319 -4.014615 ESP Fit Center 6384 is at 3.569286 -0.880398 -4.014615 ESP Fit Center 6385 is at 3.152531 -0.880398 -4.014615 ESP Fit Center 6386 is at 2.944153 -1.241319 -4.014615 ESP Fit Center 6387 is at 3.152531 -1.602240 -4.014615 ESP Fit Center 6388 is at 3.569286 -1.602240 -4.014615 ESP Fit Center 6389 is at 3.360908 -1.241319 -4.051077 ESP Fit Center 6390 is at -4.412858 0.376805 3.231618 ESP Fit Center 6391 is at -3.995540 0.376805 3.200344 ESP Fit Center 6392 is at -4.204199 0.738214 3.200344 ESP Fit Center 6393 is at -4.621517 0.738214 3.200344 ESP Fit Center 6394 is at -4.830176 0.376805 3.200344 ESP Fit Center 6395 is at -4.621517 0.015397 3.200344 ESP Fit Center 6396 is at -4.204199 0.015397 3.200344 ESP Fit Center 6397 is at -3.698115 0.789463 3.107222 ESP Fit Center 6398 is at -4.000201 1.091549 3.107222 ESP Fit Center 6399 is at -4.412858 1.202120 3.107222 ESP Fit Center 6400 is at -4.825515 1.091549 3.107222 ESP Fit Center 6401 is at -5.127601 0.789463 3.107222 ESP Fit Center 6402 is at -5.238173 0.376805 3.107222 ESP Fit Center 6403 is at -5.127601 -0.035852 3.107222 ESP Fit Center 6404 is at -4.825515 -0.337938 3.107222 ESP Fit Center 6405 is at -4.412858 -0.448509 3.107222 ESP Fit Center 6406 is at -4.000201 -0.337938 3.107222 ESP Fit Center 6407 is at -3.805421 1.428918 2.954331 ESP Fit Center 6408 is at -4.201897 1.573223 2.954331 ESP Fit Center 6409 is at -4.623819 1.573223 2.954331 ESP Fit Center 6410 is at -5.020295 1.428918 2.954331 ESP Fit Center 6411 is at -5.343506 1.157712 2.954331 ESP Fit Center 6412 is at -5.554467 0.792317 2.954331 ESP Fit Center 6413 is at -5.627733 0.376805 2.954331 ESP Fit Center 6414 is at -5.554467 -0.038706 2.954331 ESP Fit Center 6415 is at -5.343506 -0.404101 2.954331 ESP Fit Center 6416 is at -5.020295 -0.675307 2.954331 ESP Fit Center 6417 is at -4.623819 -0.819612 2.954331 ESP Fit Center 6418 is at -4.201897 -0.819612 2.954331 ESP Fit Center 6419 is at -3.624210 1.742784 2.745087 ESP Fit Center 6420 is at -4.004624 1.900357 2.745087 ESP Fit Center 6421 is at -4.412858 1.954102 2.745087 ESP Fit Center 6422 is at -4.821092 1.900357 2.745087 ESP Fit Center 6423 is at -5.201506 1.742784 2.745087 ESP Fit Center 6424 is at -5.528175 1.492122 2.745087 ESP Fit Center 6425 is at -5.778837 1.165454 2.745087 ESP Fit Center 6426 is at -5.936409 0.785040 2.745087 ESP Fit Center 6427 is at -5.990154 0.376805 2.745087 ESP Fit Center 6428 is at -5.936409 -0.031429 2.745087 ESP Fit Center 6429 is at -5.778837 -0.411843 2.745087 ESP Fit Center 6430 is at -5.528175 -0.738511 2.745087 ESP Fit Center 6431 is at -5.201506 -0.989173 2.745087 ESP Fit Center 6432 is at -4.821092 -1.146746 2.745087 ESP Fit Center 6433 is at -4.412858 -1.200491 2.745087 ESP Fit Center 6434 is at -3.520782 2.059440 2.484163 ESP Fit Center 6435 is at -3.903355 2.211871 2.484163 ESP Fit Center 6436 is at -4.309751 2.278496 2.484163 ESP Fit Center 6437 is at -4.720969 2.256200 2.484163 ESP Fit Center 6438 is at -5.117780 2.146026 2.484163 ESP Fit Center 6439 is at -5.481630 1.953126 2.484163 ESP Fit Center 6440 is at -5.795505 1.686518 2.484163 ESP Fit Center 6441 is at -6.044729 1.358669 2.484163 ESP Fit Center 6442 is at -6.217648 0.984910 2.484163 ESP Fit Center 6443 is at -6.306178 0.582716 2.484163 ESP Fit Center 6444 is at -6.306178 0.170895 2.484163 ESP Fit Center 6445 is at -6.217648 -0.231299 2.484163 ESP Fit Center 6446 is at -6.044729 -0.605058 2.484163 ESP Fit Center 6447 is at -5.795505 -0.932907 2.484163 ESP Fit Center 6448 is at -5.481630 -1.199515 2.484163 ESP Fit Center 6449 is at -5.117780 -1.392416 2.484163 ESP Fit Center 6450 is at -4.720969 -1.502590 2.484163 ESP Fit Center 6451 is at 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1.831618 ESP Fit Center 6470 is at -4.309944 2.799492 1.831618 ESP Fit Center 6471 is at -4.720860 2.782036 1.831618 ESP Fit Center 6472 is at -5.122916 2.695387 1.831618 ESP Fit Center 6473 is at -5.504544 2.542036 1.831618 ESP Fit Center 6474 is at -5.854767 2.326395 1.831618 ESP Fit Center 6475 is at -6.163509 2.054668 1.831618 ESP Fit Center 6476 is at -6.421887 1.734672 1.831618 ESP Fit Center 6477 is at -6.622470 1.375613 1.831618 ESP Fit Center 6478 is at -6.759486 0.987820 1.831618 ESP Fit Center 6479 is at -6.828994 0.582449 1.831618 ESP Fit Center 6480 is at -6.828994 0.171162 1.831618 ESP Fit Center 6481 is at -6.759486 -0.234209 1.831618 ESP Fit Center 6482 is at -6.622470 -0.622002 1.831618 ESP Fit Center 6483 is at -6.421887 -0.981061 1.831618 ESP Fit Center 6484 is at -6.163509 -1.301057 1.831618 ESP Fit Center 6485 is at -5.854767 -1.572784 1.831618 ESP Fit Center 6486 is at -5.504544 -1.788425 1.831618 ESP Fit Center 6487 is at -4.005120 2.951162 1.454573 ESP Fit Center 6488 is at -4.412858 2.983252 1.454573 ESP Fit Center 6489 is at -4.820596 2.951162 1.454573 ESP Fit Center 6490 is at -5.218294 2.855683 1.454573 ESP Fit Center 6491 is at -5.596160 2.699166 1.454573 ESP Fit Center 6492 is at -5.944889 2.485465 1.454573 ESP Fit Center 6493 is at -6.255894 2.219841 1.454573 ESP Fit Center 6494 is at -6.521518 1.908836 1.454573 ESP Fit Center 6495 is at -6.735219 1.560107 1.454573 ESP Fit Center 6496 is at -6.891736 1.182242 1.454573 ESP Fit Center 6497 is at -6.987215 0.784543 1.454573 ESP Fit Center 6498 is at -7.019305 0.376805 1.454573 ESP Fit Center 6499 is at -6.987215 -0.030933 1.454573 ESP Fit Center 6500 is at -6.891736 -0.428631 1.454573 ESP Fit Center 6501 is at -6.735219 -0.806497 1.454573 ESP Fit Center 6502 is at -6.521518 -1.155225 1.454573 ESP Fit Center 6503 is at -6.255894 -1.466231 1.454573 ESP Fit Center 6504 is at -5.944889 -1.731854 1.454573 ESP Fit Center 6505 is at -5.596160 -1.945555 1.454573 ESP Fit Center 6506 is at 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1.054677 ESP Fit Center 6525 is at -4.621517 3.161169 0.640862 ESP Fit Center 6526 is at -5.034175 3.098971 0.640862 ESP Fit Center 6527 is at -5.432953 2.975964 0.640862 ESP Fit Center 6528 is at -5.808943 2.794896 0.640862 ESP Fit Center 6529 is at -6.153748 2.559812 0.640862 ESP Fit Center 6530 is at -6.459664 2.275964 0.640862 ESP Fit Center 6531 is at -6.719858 1.949691 0.640862 ESP Fit Center 6532 is at -6.928517 1.588283 0.640862 ESP Fit Center 6533 is at -7.080980 1.199812 0.640862 ESP Fit Center 6534 is at -7.173843 0.792957 0.640862 ESP Fit Center 6535 is at -7.205029 0.376805 0.640862 ESP Fit Center 6536 is at -7.173843 -0.039346 0.640862 ESP Fit Center 6537 is at -7.080980 -0.446201 0.640862 ESP Fit Center 6538 is at -6.928517 -0.834672 0.640862 ESP Fit Center 6539 is at -6.719858 -1.196080 0.640862 ESP Fit Center 6540 is at -6.459664 -1.522353 0.640862 ESP Fit Center 6541 is at -6.153748 -1.806201 0.640862 ESP Fit Center 6542 is at -5.808943 -2.041285 0.640862 ESP Fit Center 6543 is at -4.621517 3.161169 0.222374 ESP Fit Center 6544 is at -5.034175 3.098971 0.222374 ESP Fit Center 6545 is at -5.432953 2.975964 0.222374 ESP Fit Center 6546 is at -5.808943 2.794896 0.222374 ESP Fit Center 6547 is at -6.153748 2.559812 0.222374 ESP Fit Center 6548 is at -6.459664 2.275964 0.222374 ESP Fit Center 6549 is at -6.719858 1.949691 0.222374 ESP Fit Center 6550 is at -6.928517 1.588283 0.222374 ESP Fit Center 6551 is at -7.080980 1.199812 0.222374 ESP Fit Center 6552 is at -7.173843 0.792957 0.222374 ESP Fit Center 6553 is at -7.205029 0.376805 0.222374 ESP Fit Center 6554 is at -7.173843 -0.039346 0.222374 ESP Fit Center 6555 is at -7.080980 -0.446201 0.222374 ESP Fit Center 6556 is at -6.928517 -0.834672 0.222374 ESP Fit Center 6557 is at -6.719858 -1.196080 0.222374 ESP Fit Center 6558 is at -6.459664 -1.522353 0.222374 ESP Fit Center 6559 is at -6.153748 -1.806201 0.222374 ESP Fit Center 6560 is at -5.808943 -2.041285 0.222374 ESP Fit Center 6561 is at -4.725921 3.088593 -0.191441 ESP Fit Center 6562 is at -5.136204 3.009023 -0.191441 ESP Fit Center 6563 is at -5.529533 2.867756 -0.191441 ESP Fit Center 6564 is at -5.896688 2.668104 -0.191441 ESP Fit Center 6565 is at -6.229063 2.414745 -0.191441 ESP Fit Center 6566 is at -6.518868 2.113619 -0.191441 ESP Fit Center 6567 is at -6.759310 1.771783 -0.191441 ESP Fit Center 6568 is at -6.944753 1.397251 -0.191441 ESP Fit Center 6569 is at -7.070850 0.998800 -0.191441 ESP Fit Center 6570 is at -7.134646 0.585769 -0.191441 ESP Fit Center 6571 is at -7.134646 0.167841 -0.191441 ESP Fit Center 6572 is at -7.070850 -0.245189 -0.191441 ESP Fit Center 6573 is at -6.944753 -0.643640 -0.191441 ESP Fit Center 6574 is at -6.759310 -1.018172 -0.191441 ESP Fit Center 6575 is at -6.518868 -1.360008 -0.191441 ESP Fit Center 6576 is at -6.229063 -1.661134 -0.191441 ESP Fit Center 6577 is at -5.896688 -1.914493 -0.191441 ESP Fit Center 6578 is at -5.529533 -2.114145 -0.191441 ESP Fit Center 6579 is at -4.820596 2.951162 -0.591337 ESP Fit Center 6580 is at -5.218294 2.855683 -0.591337 ESP Fit Center 6581 is at -5.596160 2.699166 -0.591337 ESP Fit Center 6582 is at -5.944889 2.485465 -0.591337 ESP Fit Center 6583 is at -6.255894 2.219841 -0.591337 ESP Fit Center 6584 is at -6.521518 1.908836 -0.591337 ESP Fit Center 6585 is at -6.735219 1.560107 -0.591337 ESP Fit Center 6586 is at -6.891736 1.182242 -0.591337 ESP Fit Center 6587 is at -6.987215 0.784543 -0.591337 ESP Fit Center 6588 is at -7.019305 0.376805 -0.591337 ESP Fit Center 6589 is at -6.987215 -0.030933 -0.591337 ESP Fit Center 6590 is at -6.891736 -0.428631 -0.591337 ESP Fit Center 6591 is at -6.735219 -0.806497 -0.591337 ESP Fit Center 6592 is at -6.521518 -1.155225 -0.591337 ESP Fit Center 6593 is at -6.255894 -1.466231 -0.591337 ESP Fit Center 6594 is at -5.944889 -1.731854 -0.591337 ESP Fit Center 6595 is at -5.596160 -1.945555 -0.591337 ESP Fit Center 6596 is at -4.720860 2.782036 -0.968382 ESP Fit Center 6597 is at -5.122916 2.695387 -0.968382 ESP Fit Center 6598 is at -5.504544 2.542036 -0.968382 ESP Fit Center 6599 is at -5.854767 2.326395 -0.968382 ESP Fit Center 6600 is at -6.163509 2.054668 -0.968382 ESP Fit Center 6601 is at -6.421887 1.734672 -0.968382 ESP Fit Center 6602 is at -6.622470 1.375613 -0.968382 ESP Fit Center 6603 is at -6.759486 0.987820 -0.968382 ESP Fit Center 6604 is at -6.828994 0.582449 -0.968382 ESP Fit Center 6605 is at -6.828994 0.171162 -0.968382 ESP Fit Center 6606 is at -6.759486 -0.234209 -0.968382 ESP Fit Center 6607 is at -6.622470 -0.622002 -0.968382 ESP Fit Center 6608 is at -6.421887 -0.981061 -0.968382 ESP Fit Center 6609 is at -6.163509 -1.301057 -0.968382 ESP Fit Center 6610 is at -5.854767 -1.572784 -0.968382 ESP Fit Center 6611 is at -5.504544 -1.788425 -0.968382 ESP Fit Center 6612 is at -4.724404 2.543651 -1.314153 ESP Fit Center 6613 is at -5.128852 2.445533 -1.314153 ESP Fit Center 6614 is at -5.507422 2.272646 -1.314153 ESP Fit Center 6615 is at -5.846432 2.031238 -1.314153 ESP Fit Center 6616 is at -6.133629 1.730035 -1.314153 ESP Fit Center 6617 is at -6.358633 1.379922 -1.314153 ESP Fit Center 6618 is at -6.513311 0.993554 -1.314153 ESP Fit Center 6619 is at -6.592074 0.584895 -1.314153 ESP Fit Center 6620 is at -6.592074 0.168716 -1.314153 ESP Fit Center 6621 is at -6.513311 -0.239943 -1.314153 ESP Fit Center 6622 is at -6.358633 -0.626311 -1.314153 ESP Fit Center 6623 is at -6.133629 -0.976424 -1.314153 ESP Fit Center 6624 is at -5.846432 -1.277627 -1.314153 ESP Fit Center 6625 is at -5.507422 -1.519035 -1.314153 ESP Fit Center 6626 is at -4.720969 2.256200 -1.620927 ESP Fit Center 6627 is at -5.117780 2.146026 -1.620927 ESP Fit Center 6628 is at -5.481630 1.953126 -1.620927 ESP Fit Center 6629 is at -5.795505 1.686518 -1.620927 ESP Fit Center 6630 is at -6.044729 1.358669 -1.620927 ESP Fit Center 6631 is at -6.217648 0.984910 -1.620927 ESP Fit Center 6632 is at -6.306178 0.582716 -1.620927 ESP Fit Center 6633 is at -6.306178 0.170895 -1.620927 ESP Fit Center 6634 is at -6.217648 -0.231299 -1.620927 ESP Fit Center 6635 is at -6.044729 -0.605058 -1.620927 ESP Fit Center 6636 is at -5.795505 -0.932907 -1.620927 ESP Fit Center 6637 is at -5.481630 -1.199515 -1.620927 ESP Fit Center 6638 is at -4.821092 1.900357 -1.881851 ESP Fit Center 6639 is at -5.201506 1.742784 -1.881851 ESP Fit Center 6640 is at -5.528175 1.492122 -1.881851 ESP Fit Center 6641 is at -5.778837 1.165454 -1.881851 ESP Fit Center 6642 is at -5.936409 0.785040 -1.881851 ESP Fit Center 6643 is at -5.990154 0.376805 -1.881851 ESP Fit Center 6644 is at -5.936409 -0.031429 -1.881851 ESP Fit Center 6645 is at -5.778837 -0.411843 -1.881851 ESP Fit Center 6646 is at -5.528175 -0.738511 -1.881851 ESP Fit Center 6647 is at -4.623819 1.573223 -2.091095 ESP Fit Center 6648 is at -5.020295 1.428918 -2.091095 ESP Fit Center 6649 is at -5.343506 1.157712 -2.091095 ESP Fit Center 6650 is at -5.554467 0.792317 -2.091095 ESP Fit Center 6651 is at -5.627733 0.376805 -2.091095 ESP Fit Center 6652 is at -5.554467 -0.038706 -2.091095 ESP Fit Center 6653 is at -5.343506 -0.404101 -2.091095 ESP Fit Center 6654 is at -4.825515 1.091549 -2.243986 ESP Fit Center 6655 is at -5.127601 0.789463 -2.243986 ESP Fit Center 6656 is at -5.238173 0.376805 -2.243986 ESP Fit Center 6657 is at -5.127601 -0.035852 -2.243986 ESP Fit Center 6658 is at -4.295263 -2.500828 -1.777556 ESP Fit Center 6659 is at -4.146375 -2.897541 -1.777556 ESP Fit Center 6660 is at -3.929043 -3.261293 -1.777556 ESP Fit Center 6661 is at -3.650253 -3.580393 -1.777556 ESP Fit Center 6662 is at -3.318966 -3.844586 -1.777556 ESP Fit Center 6663 is at -2.945830 -4.045379 -1.777556 ESP Fit Center 6664 is at -4.261950 -1.657663 -2.181649 ESP Fit Center 6665 is at -4.261950 -2.086416 -2.181649 ESP Fit Center 6666 is at -4.180808 -2.507420 -2.181649 ESP Fit Center 6667 is at -4.021457 -2.905461 -2.181649 ESP Fit Center 6668 is at -3.789656 -3.266150 -2.181649 ESP Fit Center 6669 is at -3.493783 -3.576453 -2.181649 ESP Fit Center 6670 is at -3.144531 -3.825154 -2.181649 ESP Fit Center 6671 is at -2.754524 -4.003264 -2.181649 ESP Fit Center 6672 is at -2.337857 -4.104347 -2.181649 ESP Fit Center 6673 is at -1.909590 -4.124747 -2.181649 ESP Fit Center 6674 is at -1.485202 -4.063730 -2.181649 ESP Fit Center 6675 is at -4.000041 -1.249825 -2.560800 ESP Fit Center 6676 is at -4.084697 -1.661765 -2.560800 ESP Fit Center 6677 is at -4.084697 -2.082314 -2.560800 ESP Fit Center 6678 is at -4.000041 -2.494254 -2.560800 ESP Fit Center 6679 is at -3.834195 -2.880721 -2.560800 ESP Fit Center 6680 is at -3.593949 -3.225892 -2.560800 ESP Fit Center 6681 is at -3.289138 -3.515636 -2.560800 ESP Fit Center 6682 is at -2.932242 -3.738091 -2.560800 ESP Fit Center 6683 is at -2.537871 -3.884150 -2.560800 ESP Fit Center 6684 is at -2.122172 -3.947833 -2.560800 ESP Fit Center 6685 is at -1.702163 -3.926532 -2.560800 ESP Fit Center 6686 is at -1.295040 -3.821121 -2.560800 ESP Fit Center 6687 is at -0.917469 -3.635914 -2.560800 ESP Fit Center 6688 is at -0.584909 -3.378493 -2.560800 ESP Fit Center 6689 is at -3.278560 -0.534758 -2.903491 ESP Fit Center 6690 is at -3.552950 -0.861764 -2.903491 ESP Fit Center 6691 is at -3.744531 -1.243233 -2.903491 ESP Fit Center 6692 is at -3.842975 -1.658602 -2.903491 ESP Fit Center 6693 is at -3.842975 -2.085477 -2.903491 ESP Fit Center 6694 is at -3.744531 -2.500846 -2.903491 ESP Fit Center 6695 is at -3.552950 -2.882316 -2.903491 ESP Fit Center 6696 is at -3.278560 -3.209321 -2.903491 ESP Fit Center 6697 is at -2.936153 -3.464233 -2.903491 ESP Fit Center 6698 is at -2.544190 -3.633310 -2.903491 ESP Fit Center 6699 is at -2.123800 -3.707436 -2.903491 ESP Fit Center 6700 is at -1.697647 -3.682615 -2.903491 ESP Fit Center 6701 is at -1.288705 -3.560186 -2.903491 ESP Fit Center 6702 is at -0.919020 -3.346748 -2.903491 ESP Fit Center 6703 is at -0.608522 -3.053809 -2.903491 ESP Fit Center 6704 is at -0.373950 -2.697160 -2.903491 ESP Fit Center 6705 is at -0.227950 -2.296028 -2.903491 ESP Fit Center 6706 is at -0.474210 -1.872040 -3.199307 ESP Fit Center 6707 is at -0.531417 -1.455827 -3.199307 ESP Fit Center 6708 is at -0.698795 -1.070483 -3.199307 ESP Fit Center 6709 is at -0.963932 -0.744586 -3.199307 ESP Fit Center 6710 is at -1.307162 -0.502308 -3.199307 ESP Fit Center 6711 is at -1.703030 -0.361616 -3.199307 ESP Fit Center 6712 is at -2.122177 -0.332946 -3.199307 ESP Fit Center 6713 is at -2.533515 -0.418423 -3.199307 ESP Fit Center 6714 is at -2.906539 -0.611708 -3.199307 ESP Fit Center 6715 is at -3.213582 -0.898466 -3.199307 ESP Fit Center 6716 is at -3.431873 -1.257430 -3.199307 ESP Fit Center 6717 is at -3.545222 -1.661977 -3.199307 ESP Fit Center 6718 is at -3.545222 -2.082103 -3.199307 ESP Fit Center 6719 is at -3.431873 -2.486649 -3.199307 ESP Fit Center 6720 is at -3.213582 -2.845613 -3.199307 ESP Fit Center 6721 is at -2.906539 -3.132371 -3.199307 ESP Fit Center 6722 is at -2.533515 -3.325656 -3.199307 ESP Fit Center 6723 is at -2.122177 -3.411134 -3.199307 ESP Fit Center 6724 is at -1.703030 -3.382463 -3.199307 ESP Fit Center 6725 is at -1.307162 -3.241772 -3.199307 ESP Fit Center 6726 is at -0.963932 -2.999493 -3.199307 ESP Fit Center 6727 is at -0.698795 -2.673597 -3.199307 ESP Fit Center 6728 is at -0.531417 -2.288252 -3.199307 ESP Fit Center 6729 is at -0.816900 -1.872040 -3.439261 ESP Fit Center 6730 is at -0.889269 -1.461615 -3.439261 ESP Fit Center 6731 is at -1.097647 -1.100694 -3.439261 ESP Fit Center 6732 is at -1.416900 -0.832809 -3.439261 ESP Fit Center 6733 is at -1.808522 -0.690270 -3.439261 ESP Fit Center 6734 is at -2.225278 -0.690270 -3.439261 ESP Fit Center 6735 is at -2.616900 -0.832809 -3.439261 ESP Fit Center 6736 is at -2.936153 -1.100694 -3.439261 ESP Fit Center 6737 is at -3.144531 -1.461615 -3.439261 ESP Fit Center 6738 is at -3.216900 -1.872040 -3.439261 ESP Fit Center 6739 is at -3.144531 -2.282464 -3.439261 ESP Fit Center 6740 is at -2.936153 -2.643385 -3.439261 ESP Fit Center 6741 is at -2.616900 -2.911270 -3.439261 ESP Fit Center 6742 is at -2.225278 -3.053809 -3.439261 ESP Fit Center 6743 is at -1.808522 -3.053809 -3.439261 ESP Fit Center 6744 is at -1.416900 -2.911270 -3.439261 ESP Fit Center 6745 is at -1.097647 -2.643385 -3.439261 ESP Fit Center 6746 is at -0.889269 -2.282464 -3.439261 ESP Fit Center 6747 is at -1.196052 -1.872040 -3.616063 ESP Fit Center 6748 is at -1.306024 -1.461615 -3.616063 ESP Fit Center 6749 is at -1.606476 -1.161164 -3.616063 ESP Fit Center 6750 is at -2.016900 -1.051191 -3.616063 ESP Fit Center 6751 is at -2.427324 -1.161164 -3.616063 ESP Fit Center 6752 is at -2.727775 -1.461615 -3.616063 ESP Fit Center 6753 is at -2.837748 -1.872040 -3.616063 ESP Fit Center 6754 is at -2.727775 -2.282464 -3.616063 ESP Fit Center 6755 is at -2.427324 -2.582915 -3.616063 ESP Fit Center 6756 is at -2.016900 -2.692888 -3.616063 ESP Fit Center 6757 is at -1.606476 -2.582915 -3.616063 ESP Fit Center 6758 is at -1.306024 -2.282464 -3.616063 ESP Fit Center 6759 is at -1.600144 -1.872040 -3.724339 ESP Fit Center 6760 is at -1.808522 -1.511119 -3.724339 ESP Fit Center 6761 is at -2.225278 -1.511119 -3.724339 ESP Fit Center 6762 is at -2.433656 -1.872040 -3.724339 ESP Fit Center 6763 is at -2.225278 -2.232961 -3.724339 ESP Fit Center 6764 is at -1.808522 -2.232961 -3.724339 ESP Fit Center 6765 is at -2.016900 -1.872040 -3.760800 ESP Fit Center 6766 is at -2.909255 -1.224635 3.147723 ESP Fit Center 6767 is at -2.491936 -1.224635 3.116450 ESP Fit Center 6768 is at -2.700595 -0.863226 3.116450 ESP Fit Center 6769 is at -3.117914 -0.863226 3.116450 ESP Fit Center 6770 is at -3.326573 -1.224635 3.116450 ESP Fit Center 6771 is at -3.117914 -1.586043 3.116450 ESP Fit Center 6772 is at -2.700595 -1.586043 3.116450 ESP Fit Center 6773 is at -2.083940 -1.224635 3.023327 ESP Fit Center 6774 is at -2.194511 -0.811977 3.023327 ESP Fit Center 6775 is at -3.734569 -1.224635 3.023327 ESP Fit Center 6776 is at -3.623998 -1.637292 3.023327 ESP Fit Center 6777 is at -3.321912 -1.939378 3.023327 ESP Fit Center 6778 is at -2.909255 -2.049949 3.023327 ESP Fit Center 6779 is at -2.496597 -1.939378 3.023327 ESP Fit Center 6780 is at -2.194511 -1.637292 3.023327 ESP Fit Center 6781 is at -1.694380 -1.224635 2.870436 ESP Fit Center 6782 is at -1.767646 -0.809123 2.870436 ESP Fit Center 6783 is at -1.978607 -0.443728 2.870436 ESP Fit Center 6784 is at -4.124129 -1.224635 2.870436 ESP Fit Center 6785 is at -4.050863 -1.640146 2.870436 ESP Fit Center 6786 is at -3.839902 -2.005541 2.870436 ESP Fit Center 6787 is at -3.516692 -2.276747 2.870436 ESP Fit Center 6788 is at -3.120215 -2.421052 2.870436 ESP Fit Center 6789 is at -2.698294 -2.421052 2.870436 ESP Fit Center 6790 is at -2.301817 -2.276747 2.870436 ESP Fit Center 6791 is at -1.978607 -2.005541 2.870436 ESP Fit Center 6792 is at -1.767646 -1.640146 2.870436 ESP Fit Center 6793 is at -1.543276 -0.435987 2.661192 ESP Fit Center 6794 is at -4.432806 -1.632869 2.661192 ESP Fit Center 6795 is at -4.275233 -2.013283 2.661192 ESP Fit Center 6796 is at -4.024571 -2.339951 2.661192 ESP Fit Center 6797 is at -3.697903 -2.590613 2.661192 ESP Fit Center 6798 is at -3.317489 -2.748186 2.661192 ESP Fit Center 6799 is at -2.909255 -2.801931 2.661192 ESP Fit Center 6800 is at -2.501020 -2.748186 2.661192 ESP Fit Center 6801 is at -2.120606 -2.590613 2.661192 ESP Fit Center 6802 is at -1.793938 -2.339951 2.661192 ESP Fit Center 6803 is at -1.543276 -2.013283 2.661192 ESP Fit Center 6804 is at -1.385703 -1.632869 2.661192 ESP Fit Center 6805 is at -4.714044 -1.832739 2.400269 ESP Fit Center 6806 is at -4.541125 -2.206499 2.400269 ESP Fit Center 6807 is at -4.291901 -2.534347 2.400269 ESP Fit Center 6808 is at -3.978026 -2.800955 2.400269 ESP Fit Center 6809 is at -3.614177 -2.993856 2.400269 ESP Fit Center 6810 is at -3.217366 -3.104030 2.400269 ESP Fit Center 6811 is at -2.806148 -3.126325 2.400269 ESP Fit Center 6812 is at -2.399751 -3.059700 2.400269 ESP Fit Center 6813 is at -5.009708 -1.841383 2.093495 ESP Fit Center 6814 is at -4.855029 -2.227751 2.093495 ESP Fit Center 6815 is at -4.630025 -2.577864 2.093495 ESP Fit Center 6816 is at -4.342829 -2.879067 2.093495 ESP Fit Center 6817 is at -4.003819 -3.120475 2.093495 ESP Fit Center 6818 is at -3.625248 -3.293363 2.093495 ESP Fit Center 6819 is at -3.220800 -3.391481 2.093495 ESP Fit Center 6820 is at -2.805092 -3.411283 2.093495 ESP Fit Center 6821 is at -5.118866 -2.223442 1.747723 ESP Fit Center 6822 is at -4.918284 -2.582501 1.747723 ESP Fit Center 6823 is at -4.659905 -2.902497 1.747723 ESP Fit Center 6824 is at -4.351163 -3.174224 1.747723 ESP Fit Center 6825 is at -4.000941 -3.389865 1.747723 ESP Fit Center 6826 is at -3.619312 -3.543216 1.747723 ESP Fit Center 6827 is at -3.217256 -3.629865 1.747723 ESP Fit Center 6828 is at -5.231615 -2.407937 1.370678 ESP Fit Center 6829 is at -5.017914 -2.756665 1.370678 ESP Fit Center 6830 is at -4.752290 -3.067671 1.370678 ESP Fit Center 6831 is at -4.441285 -3.333294 1.370678 ESP Fit Center 6832 is at -4.092556 -3.546995 1.370678 ESP Fit Center 6833 is at -3.714691 -3.703513 1.370678 ESP Fit Center 6834 is at -3.316993 -3.798991 1.370678 ESP Fit Center 6835 is at -5.441149 -2.245080 0.970782 ESP Fit Center 6836 is at -5.255706 -2.619612 0.970782 ESP Fit Center 6837 is at -5.015264 -2.961448 0.970782 ESP Fit Center 6838 is at -4.725459 -3.262574 0.970782 ESP Fit Center 6839 is at -4.393084 -3.515933 0.970782 ESP Fit Center 6840 is at -4.025929 -3.715585 0.970782 ESP Fit Center 6841 is at -3.632601 -3.856852 0.970782 ESP Fit Center 6842 is at -5.424913 -2.436112 0.556968 ESP Fit Center 6843 is at -5.216254 -2.797520 0.556968 ESP Fit Center 6844 is at -4.956060 -3.123793 0.556968 ESP Fit Center 6845 is at -4.650144 -3.407642 0.556968 ESP Fit Center 6846 is at -4.305340 -3.642725 0.556968 ESP Fit Center 6847 is at -3.929349 -3.823793 0.556968 ESP Fit Center 6848 is at -5.424913 -2.436112 0.138479 ESP Fit Center 6849 is at -5.216254 -2.797520 0.138479 ESP Fit Center 6850 is at -4.956060 -3.123793 0.138479 ESP Fit Center 6851 is at -4.650144 -3.407642 0.138479 ESP Fit Center 6852 is at -4.305340 -3.642725 0.138479 ESP Fit Center 6853 is at -3.929349 -3.823793 0.138479 ESP Fit Center 6854 is at -5.441149 -2.245080 -0.275335 ESP Fit Center 6855 is at -5.255706 -2.619612 -0.275335 ESP Fit Center 6856 is at -5.015264 -2.961448 -0.275335 ESP Fit Center 6857 is at -4.725459 -3.262574 -0.275335 ESP Fit Center 6858 is at -4.393084 -3.515933 -0.275335 ESP Fit Center 6859 is at -4.025929 -3.715585 -0.275335 ESP Fit Center 6860 is at -5.388132 -2.030071 -0.675231 ESP Fit Center 6861 is at -5.231615 -2.407937 -0.675231 ESP Fit Center 6862 is at -5.017914 -2.756665 -0.675231 ESP Fit Center 6863 is at -4.752290 -3.067671 -0.675231 ESP Fit Center 6864 is at -4.441285 -3.333294 -0.675231 ESP Fit Center 6865 is at -4.092556 -3.546995 -0.675231 ESP Fit Center 6866 is at -5.118866 -2.223442 -1.052277 ESP Fit Center 6867 is at -4.918284 -2.582501 -1.052277 ESP Fit Center 6868 is at -4.659905 -2.902497 -1.052277 ESP Fit Center 6869 is at -4.351163 -3.174224 -1.052277 ESP Fit Center 6870 is at -4.855029 -2.227751 -1.398048 ESP Fit Center 6871 is at -4.630025 -2.577864 -1.398048 ESP Fit Center 6872 is at -4.342829 -2.879067 -1.398048 ESP Fit Center 6873 is at -4.714044 -1.832739 -1.704822 ESP Fit Center 6874 is at -4.541125 -2.206499 -1.704822 ESP Fit Center 6875 is at -1.520966 -2.652051 2.531820 ESP Fit Center 6876 is at -1.104210 -2.652051 2.495359 ESP Fit Center 6877 is at -1.729344 -3.012972 2.495359 ESP Fit Center 6878 is at -1.312588 -3.012972 2.495359 ESP Fit Center 6879 is at -0.700118 -2.652051 2.387083 ESP Fit Center 6880 is at -2.231842 -3.062475 2.387083 ESP Fit Center 6881 is at -1.931390 -3.362927 2.387083 ESP Fit Center 6882 is at -1.520966 -3.472899 2.387083 ESP Fit Center 6883 is at -1.110542 -3.362927 2.387083 ESP Fit Center 6884 is at -0.810091 -3.062475 2.387083 ESP Fit Center 6885 is at -0.320966 -2.652051 2.210281 ESP Fit Center 6886 is at -2.440219 -3.423396 2.210281 ESP Fit Center 6887 is at -2.120966 -3.691281 2.210281 ESP Fit Center 6888 is at -1.729344 -3.833820 2.210281 ESP Fit Center 6889 is at -1.312588 -3.833820 2.210281 ESP Fit Center 6890 is at -0.920966 -3.691281 2.210281 ESP Fit Center 6891 is at -0.601713 -3.423396 2.210281 ESP Fit Center 6892 is at -0.393335 -3.062475 2.210281 ESP Fit Center 6893 is at -2.717648 -3.625624 1.970327 ESP Fit Center 6894 is at -2.410605 -3.912383 1.970327 ESP Fit Center 6895 is at -2.037582 -4.105668 1.970327 ESP Fit Center 6896 is at -1.626243 -4.191145 1.970327 ESP Fit Center 6897 is at -1.207096 -4.162474 1.970327 ESP Fit Center 6898 is at -0.811228 -4.021783 1.970327 ESP Fit Center 6899 is at -0.467998 -3.779505 1.970327 ESP Fit Center 6900 is at -0.202862 -3.453608 1.970327 ESP Fit Center 6901 is at -0.035483 -3.068264 1.970327 ESP Fit Center 6902 is at -2.782626 -3.989332 1.674511 ESP Fit Center 6903 is at -2.440219 -4.244244 1.674511 ESP Fit Center 6904 is at -2.048256 -4.413321 1.674511 ESP Fit Center 6905 is at -1.627866 -4.487447 1.674511 ESP Fit Center 6906 is at -1.201713 -4.462627 1.674511 ESP Fit Center 6907 is at -0.792771 -4.340197 1.674511 ESP Fit Center 6908 is at -0.423086 -4.126760 1.674511 ESP Fit Center 6909 is at -0.112588 -3.833820 1.674511 ESP Fit Center 6910 is at 0.121984 -3.477171 1.674511 ESP Fit Center 6911 is at -3.098015 -4.005903 1.331820 ESP Fit Center 6912 is at -2.793204 -4.295648 1.331820 ESP Fit Center 6913 is at -2.436308 -4.518103 1.331820 ESP Fit Center 6914 is at -2.041938 -4.664162 1.331820 ESP Fit Center 6915 is at -1.626238 -4.727844 1.331820 ESP Fit Center 6916 is at -1.206229 -4.706544 1.331820 ESP Fit Center 6917 is at -0.799106 -4.601132 1.331820 ESP Fit Center 6918 is at -0.421535 -4.415925 1.331820 ESP Fit Center 6919 is at -0.088975 -4.158505 1.331820 ESP Fit Center 6920 is at 0.184959 -3.839410 1.331820 ESP Fit Center 6921 is at -3.293722 -4.046162 0.952669 ESP Fit Center 6922 is at -2.997849 -4.356465 0.952669 ESP Fit Center 6923 is at -2.648597 -4.605165 0.952669 ESP Fit Center 6924 is at -2.258590 -4.783276 0.952669 ESP Fit Center 6925 is at -1.841923 -4.884358 0.952669 ESP Fit Center 6926 is at -1.413656 -4.904759 0.952669 ESP Fit Center 6927 is at -0.989268 -4.843741 0.952669 ESP Fit Center 6928 is at -0.584096 -4.703510 0.952669 ESP Fit Center 6929 is at -0.212786 -4.489133 0.952669 ESP Fit Center 6930 is at 0.111244 -4.208360 0.952669 ESP Fit Center 6931 is at -3.433109 -4.041304 0.548576 ESP Fit Center 6932 is at -3.154319 -4.360405 0.548576 ESP Fit Center 6933 is at -2.823032 -4.624597 0.548576 ESP Fit Center 6934 is at -2.449896 -4.825390 0.548576 ESP Fit Center 6935 is at -2.046903 -4.956331 0.548576 ESP Fit Center 6936 is at -1.627006 -5.013210 0.548576 ESP Fit Center 6937 is at -1.203701 -4.994199 0.548576 ESP Fit Center 6938 is at -0.790592 -4.899910 0.548576 ESP Fit Center 6939 is at -0.400959 -4.733373 0.548576 ESP Fit Center 6940 is at -0.047324 -4.499940 0.548576 ESP Fit Center 6941 is at 0.258947 -4.207115 0.548576 ESP Fit Center 6942 is at -3.359473 -4.194741 0.131820 ESP Fit Center 6943 is at -3.063656 -4.490558 0.131820 ESP Fit Center 6944 is at -2.720966 -4.730512 0.131820 ESP Fit Center 6945 is at -2.341814 -4.907313 0.131820 ESP Fit Center 6946 is at -1.937722 -5.015590 0.131820 ESP Fit Center 6947 is at -1.520966 -5.052051 0.131820 ESP Fit Center 6948 is at -1.104210 -5.015590 0.131820 ESP Fit Center 6949 is at -0.700118 -4.907313 0.131820 ESP Fit Center 6950 is at -0.320966 -4.730512 0.131820 ESP Fit Center 6951 is at 0.021724 -4.490558 0.131820 ESP Fit Center 6952 is at -3.154319 -4.360405 -0.284935 ESP Fit Center 6953 is at -2.823032 -4.624597 -0.284935 ESP Fit Center 6954 is at -2.449896 -4.825390 -0.284935 ESP Fit Center 6955 is at -2.046903 -4.956331 -0.284935 ESP Fit Center 6956 is at -1.627006 -5.013210 -0.284935 ESP Fit Center 6957 is at -1.203701 -4.994199 -0.284935 ESP Fit Center 6958 is at -0.790592 -4.899910 -0.284935 ESP Fit Center 6959 is at -0.400959 -4.733373 -0.284935 ESP Fit Center 6960 is at -0.047324 -4.499940 -0.284935 ESP Fit Center 6961 is at 0.258947 -4.207115 -0.284935 ESP Fit Center 6962 is at -2.648597 -4.605165 -0.689028 ESP Fit Center 6963 is at -2.258590 -4.783276 -0.689028 ESP Fit Center 6964 is at -1.841923 -4.884358 -0.689028 ESP Fit Center 6965 is at -1.413656 -4.904759 -0.689028 ESP Fit Center 6966 is at -0.989268 -4.843741 -0.689028 ESP Fit Center 6967 is at -0.584096 -4.703510 -0.689028 ESP Fit Center 6968 is at -0.212786 -4.489133 -0.689028 ESP Fit Center 6969 is at 0.111244 -4.208360 -0.689028 ESP Fit Center 6970 is at -2.041938 -4.664162 -1.068180 ESP Fit Center 6971 is at -1.626238 -4.727844 -1.068180 ESP Fit Center 6972 is at -1.206229 -4.706544 -1.068180 ESP Fit Center 6973 is at -0.799106 -4.601132 -1.068180 ESP Fit Center 6974 is at -0.421535 -4.415925 -1.068180 ESP Fit Center 6975 is at -0.088975 -4.158505 -1.068180 ESP Fit Center 6976 is at -1.201713 -4.462627 -1.410870 ESP Fit Center 6977 is at -0.792771 -4.340197 -1.410870 Entering OneElI... OneElI was handed 2147346426 working-precision words. Calculate electrostatic properties NBasis = 243 MinDer = 0 MaxDer = 0 NGrid = 6977 NMatD = 1 Requested accuracy = 0.1000D-05 PrtBox: NBox= 1 Levels= 1 BoxLen= 22.46 SMaxX= 16.86 Shift= 8.339093 5.011650 3.120083 Box 1 Number 0 centers from 1 to 78: ShPair: Thresh= 1.00D-06 NBox= 1 BxSize= 2.25D+01 RnKept= 1.20D+01 NSMCal= 3081 NSMKep= 1714 PrmmSu-InSpLW: IPartL= 0 NPrtUS= 12 NPrtUL= 1 DoSpLW=F IThBeg= 0 IThEnd= 11 NThAct= 12. PrSmSu: IncTry= 512 NBBP= 11958578 NTPThr= 100 NPartT= 12 Incr= 512 LDynOK=F GPUOK=F. PrsmSu: NPrtUS= 12 ThrOK=T IAlg=2 LenDen= 0 ISkipM=0 DoSpLW=F IThBeg= 0 IThEnd= 11. Prism: IPart= 0 DynPar=F LinDyn=F Incr= 512. PRISM was handed 178783150 working-precision words and 1714 shell-pairs PRISM was handed 178783150 working-precision words and 1714 shell-pairs PRISM was handed 178783150 working-precision words and 1714 shell-pairs PRISM was handed 178783150 working-precision words and 1714 shell-pairs PRISM was handed 178783150 working-precision words and 1714 shell-pairs PRISM was handed 178783150 working-precision words and 1714 shell-pairs PRISM was handed 178783150 working-precision words and 1714 shell-pairs PRISM was handed 178783150 working-precision words and 1714 shell-pairs PRISM was handed 178783150 working-precision words and 1714 shell-pairs PRISM was handed 178783150 working-precision words and 1714 shell-pairs PRISM was handed 178783150 working-precision words and 1714 shell-pairs PRISM was handed 178783150 working-precision words and 1714 shell-pairs IPart= 7 NShTot= 955849 NBatch= 1016 AvBLen= 940.8 PrsmSu-ThDecC: IPartSL= 7 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 12. IPart= 6 NShTot= 976780 NBatch= 1031 AvBLen= 947.4 PrsmSu-ThDecC: IPartSL= 6 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 11. IPart= 5 NShTot= 990734 NBatch= 1047 AvBLen= 946.3 PrsmSu-ThDecC: IPartSL= 5 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 10. IPart= 0 NShTot= 1144228 NBatch= 1261 AvBLen= 907.4 PrsmSu-ThDecC: IPartSL= 0 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 9. IPart= 11 NShTot= 879102 NBatch= 932 AvBLen= 943.2 PrsmSu-ThDecC: IPartSL= 11 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 8. IPart= 10 NShTot= 900033 NBatch= 956 AvBLen= 941.5 PrsmSu-ThDecC: IPartSL= 10 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 7. IPart= 9 NShTot= 913987 NBatch= 972 AvBLen= 940.3 PrsmSu-ThDecC: IPartSL= 9 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 6. IPart= 8 NShTot= 927941 NBatch= 985 AvBLen= 942.1 PrsmSu-ThDecC: IPartSL= 8 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 5. IPart= 3 NShTot= 1053527 NBatch= 1113 AvBLen= 946.6 PrsmSu-ThDecC: IPartSL= 3 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 4. IPart= 4 NShTot= 1025619 NBatch= 1079 AvBLen= 950.5 PrsmSu-ThDecC: IPartSL= 4 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 3. IPart= 2 NShTot= 1081435 NBatch= 1170 AvBLen= 924.3 PrsmSu-ThDecC: IPartSL= 2 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 2. IPart= 1 NShTot= 1109343 NBatch= 1215 AvBLen= 913.0 PrsmSu-ThDecC: IPartSL= 1 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 1. PrSmSu: NxtVal= 6145. 6953 points will be used for fitting atomic charges Fitting point charges to electrostatic potential Charges from ESP fit, RMS= 0.00146 RRMS= 0.05767: ESP charges: 1 1 C 0.632942 2 C -0.385944 3 O -0.712142 4 N -0.863450 5 C 0.977538 6 N -0.878348 7 C 1.004242 8 O -0.640006 9 N -0.490370 10 C 0.090033 11 C -0.457137 12 H 0.000954 13 H 0.108955 14 H 0.105954 15 C 1.076940 16 H 0.425267 17 H 0.190105 18 C 0.305592 19 H 0.129608 20 H 0.435243 21 O -0.630930 22 H 0.028301 23 O -0.539659 24 H 0.086311 Sum of ESP charges = 0.00000 ESP charges with hydrogens summed into heavy atoms: 1 1 C 0.633896 2 C -0.041426 3 O -0.276899 4 N -0.438183 5 C 0.977538 6 N -0.878348 7 C 1.004242 8 O -0.640006 9 N -0.490370 10 C 0.280138 11 C -0.457137 15 C 1.076940 18 C 0.420204 21 O -0.630930 23 O -0.539659 Charge= 0.00000 Dipole= 3.5344 -4.9865 -1.9811 Tot= 6.4251 ----------------------------------------------------------------- Electrostatic Properties (Atomic Units) ----------------------------------------------------------------- Center Electric -------- Electric Field -------- Potential X Y Z ----------------------------------------------------------------- 1 Atom -14.602056 2 Atom -14.720493 3 Atom -22.268011 4 Atom -18.267824 5 Atom -14.590835 6 Atom -18.345905 7 Atom -14.567873 8 Atom -22.349886 9 Atom -18.259527 10 Atom -14.622471 11 Atom -14.692956 12 Atom -1.090768 13 Atom -1.099963 14 Atom -1.099476 15 Atom -14.525247 16 Atom -0.975630 17 Atom -1.031389 18 Atom -14.618516 19 Atom -1.097235 20 Atom -0.951904 21 Atom -22.326440 22 Atom -1.075689 23 Atom -22.242437 24 Atom -1.066096 25 Fit 0.022254 26 Fit 0.024598 27 Fit 0.044768 28 Fit 0.012855 29 Fit 0.012332 30 Fit 0.013473 31 Fit 0.013899 32 Fit 0.013024 33 Fit 0.012065 34 Fit 0.012007 35 Fit 0.014243 36 Fit 0.013509 37 Fit 0.012566 38 Fit 0.012620 39 Fit 0.011634 40 Fit 0.013080 41 Fit 0.013104 42 Fit 0.011044 43 Fit 0.013381 44 Fit 0.013092 45 Fit 0.021234 46 Fit 0.011910 47 Fit 0.008757 48 Fit 0.010247 49 Fit 0.007225 50 Fit 0.005357 51 Fit 0.012785 52 Fit 0.009009 53 Fit 0.003713 54 Fit -0.002102 55 Fit -0.000777 56 Fit -0.005415 57 Fit 0.008555 58 Fit -0.002764 59 Fit -0.009691 60 Fit -0.013337 61 Fit -0.014048 62 Fit -0.011405 63 Fit 0.006139 64 Fit -0.005614 65 Fit -0.012673 66 Fit -0.016797 67 Fit -0.018721 68 Fit -0.018547 69 Fit -0.015911 70 Fit -0.010083 71 Fit -0.005486 72 Fit 0.004558 73 Fit 0.005131 74 Fit -0.006043 75 Fit -0.012736 76 Fit -0.016849 77 Fit -0.019244 78 Fit -0.020216 79 Fit -0.019687 80 Fit -0.017335 81 Fit -0.012729 82 Fit -0.005847 83 Fit 0.002548 84 Fit 0.013444 85 Fit 0.000973 86 Fit -0.007207 87 Fit -0.012204 88 Fit -0.015325 89 Fit -0.017187 90 Fit -0.017973 91 Fit -0.017563 92 Fit -0.015649 93 Fit -0.011852 94 Fit -0.001682 95 Fit 0.005739 96 Fit 0.015340 97 Fit 0.013767 98 Fit 0.003154 99 Fit -0.003353 100 Fit -0.007400 101 Fit -0.009947 102 Fit -0.011491 103 Fit -0.012171 104 Fit -0.011854 105 Fit -0.010235 106 Fit -0.006950 107 Fit 0.006981 108 Fit 0.013899 109 Fit 0.022704 110 Fit 0.033243 111 Fit 0.018666 112 Fit 0.010179 113 Fit 0.004567 114 Fit 0.001017 115 Fit -0.001180 116 Fit -0.002465 117 Fit -0.002980 118 Fit -0.002607 119 Fit -0.001054 120 Fit 0.002042 121 Fit 0.039969 122 Fit 0.031595 123 Fit 0.023774 124 Fit 0.017667 125 Fit 0.013557 126 Fit 0.011079 127 Fit 0.009768 128 Fit 0.009360 129 Fit 0.009888 130 Fit 0.011629 131 Fit 0.014974 132 Fit 0.019557 133 Fit 0.020197 134 Fit 0.013599 135 Fit 0.013138 136 Fit 0.014076 137 Fit 0.009571 138 Fit 0.009578 139 Fit 0.009660 140 Fit 0.006152 141 Fit 0.009843 142 Fit 0.011779 143 Fit 0.008893 144 Fit 0.003232 145 Fit 0.008937 146 Fit 0.001766 147 Fit 0.004486 148 Fit 0.009629 149 Fit 0.005302 150 Fit 0.006057 151 Fit 0.005389 152 Fit 0.005565 153 Fit 0.009108 154 Fit 0.011027 155 Fit 0.009445 156 Fit 0.006249 157 Fit 0.005089 158 Fit 0.008585 159 Fit 0.016254 160 Fit 0.024783 161 Fit 0.031856 162 Fit 0.036654 163 Fit 0.010038 164 Fit 0.006124 165 Fit 0.005849 166 Fit 0.005345 167 Fit 0.004195 168 Fit 0.005360 169 Fit 0.010367 170 Fit 0.017022 171 Fit 0.022349 172 Fit 0.024682 173 Fit 0.011515 174 Fit 0.006320 175 Fit 0.004377 176 Fit 0.005445 177 Fit 0.010616 178 Fit 0.014255 179 Fit 0.007378 180 Fit 0.020543 181 Fit 0.019013 182 Fit 0.013741 183 Fit 0.016696 184 Fit 0.023655 185 Fit 0.025169 186 Fit 0.022387 187 Fit 0.020729 188 Fit 0.004724 189 Fit 0.011979 190 Fit 0.032285 191 Fit 0.028983 192 Fit 0.023065 193 Fit 0.029573 194 Fit 0.042146 195 Fit 0.031269 196 Fit 0.022314 197 Fit 0.004856 198 Fit 0.010307 199 Fit 0.027744 200 Fit 0.033865 201 Fit 0.026975 202 Fit 0.021389 203 Fit 0.014731 204 Fit 0.016124 205 Fit 0.021902 206 Fit 0.027769 207 Fit 0.026711 208 Fit 0.022139 209 Fit -0.004570 210 Fit -0.001153 211 Fit -0.012818 212 Fit -0.013969 213 Fit -0.004495 214 Fit 0.004586 215 Fit 0.006350 216 Fit -0.009881 217 Fit -0.021273 218 Fit -0.025085 219 Fit -0.021632 220 Fit -0.012545 221 Fit -0.000839 222 Fit 0.017645 223 Fit 0.018395 224 Fit -0.031861 225 Fit -0.034432 226 Fit -0.031905 227 Fit -0.024410 228 Fit -0.013170 229 Fit -0.000562 230 Fit -0.043073 231 Fit -0.043326 232 Fit -0.040721 233 Fit -0.034342 234 Fit -0.023785 235 Fit -0.010228 236 Fit -0.053664 237 Fit -0.050910 238 Fit -0.047045 239 Fit -0.040195 240 Fit -0.029035 241 Fit -0.013185 242 Fit -0.060244 243 Fit -0.055505 244 Fit -0.050224 245 Fit -0.041953 246 Fit -0.028779 247 Fit -0.008910 248 Fit -0.068859 249 Fit -0.061451 250 Fit -0.056049 251 Fit -0.049191 252 Fit -0.038412 253 Fit -0.021200 254 Fit -0.063952 255 Fit -0.058278 256 Fit -0.051989 257 Fit -0.042461 258 Fit -0.027208 259 Fit -0.067574 260 Fit -0.060718 261 Fit -0.055510 262 Fit -0.048680 263 Fit -0.037828 264 Fit -0.020420 265 Fit -0.058586 266 Fit -0.054401 267 Fit -0.049272 268 Fit -0.040944 269 Fit -0.027539 270 Fit -0.007173 271 Fit -0.051427 272 Fit -0.049406 273 Fit -0.045767 274 Fit -0.038875 275 Fit -0.027491 276 Fit -0.011245 277 Fit -0.040998 278 Fit -0.041757 279 Fit -0.039294 280 Fit -0.032841 281 Fit -0.022123 282 Fit -0.008525 283 Fit -0.021899 284 Fit -0.030380 285 Fit -0.033027 286 Fit -0.030470 287 Fit -0.022919 288 Fit -0.011885 289 Fit -0.000278 290 Fit 0.030129 291 Fit -0.009638 292 Fit -0.020319 293 Fit -0.023874 294 Fit -0.020332 295 Fit -0.011452 296 Fit -0.000407 297 Fit 0.018421 298 Fit 0.018353 299 Fit -0.000988 300 Fit -0.012066 301 Fit -0.012916 302 Fit -0.003614 303 Fit 0.005382 304 Fit 0.006753 305 Fit -0.003812 306 Fit 0.011274 307 Fit 0.010318 308 Fit 0.000291 309 Fit 0.001867 310 Fit 0.011048 311 Fit 0.018724 312 Fit 0.018517 313 Fit -0.006872 314 Fit -0.015336 315 Fit -0.014526 316 Fit -0.009425 317 Fit 0.019432 318 Fit 0.024379 319 Fit -0.025816 320 Fit 0.006304 321 Fit -0.024691 322 Fit 0.033281 323 Fit 0.023614 324 Fit 0.009821 325 Fit -0.004500 326 Fit -0.012332 327 Fit -0.012296 328 Fit -0.008613 329 Fit 0.021103 330 Fit 0.027769 331 Fit 0.022233 332 Fit 0.012564 333 Fit 0.002742 334 Fit 0.003575 335 Fit 0.012659 336 Fit 0.021677 337 Fit 0.021695 338 Fit 0.013772 339 Fit -0.024735 340 Fit -0.026709 341 Fit -0.035538 342 Fit -0.034006 343 Fit -0.021800 344 Fit -0.010604 345 Fit -0.013691 346 Fit -0.028388 347 Fit -0.038198 348 Fit -0.043618 349 Fit -0.045227 350 Fit -0.042313 351 Fit -0.033487 352 Fit -0.030395 353 Fit -0.039886 354 Fit -0.046031 355 Fit -0.050012 356 Fit -0.052091 357 Fit -0.051807 358 Fit -0.048286 359 Fit -0.040303 360 Fit -0.032259 361 Fit -0.040888 362 Fit -0.046858 363 Fit -0.051238 364 Fit -0.054580 365 Fit -0.056945 366 Fit -0.058021 367 Fit -0.057337 368 Fit -0.054446 369 Fit -0.048723 370 Fit -0.032996 371 Fit -0.041638 372 Fit -0.047614 373 Fit -0.052075 374 Fit -0.055720 375 Fit -0.058795 376 Fit -0.061182 377 Fit -0.062552 378 Fit -0.062595 379 Fit -0.061306 380 Fit -0.019988 381 Fit -0.032276 382 Fit -0.041342 383 Fit -0.047443 384 Fit -0.051938 385 Fit -0.055639 386 Fit -0.058935 387 Fit -0.061871 388 Fit -0.064254 389 Fit -0.065815 390 Fit -0.066434 391 Fit -0.066496 392 Fit -0.030482 393 Fit -0.040696 394 Fit -0.047213 395 Fit -0.051883 396 Fit -0.055692 397 Fit -0.059117 398 Fit -0.062262 399 Fit -0.064980 400 Fit -0.067021 401 Fit -0.068251 402 Fit -0.069029 403 Fit -0.070803 404 Fit -0.028542 405 Fit -0.039790 406 Fit -0.046709 407 Fit -0.051576 408 Fit -0.055501 409 Fit -0.059002 410 Fit -0.062202 411 Fit -0.064961 412 Fit -0.067037 413 Fit -0.068314 414 Fit -0.069184 415 Fit -0.027500 416 Fit -0.038977 417 Fit -0.046089 418 Fit -0.051101 419 Fit -0.055113 420 Fit -0.058617 421 Fit -0.061702 422 Fit -0.064199 423 Fit -0.065863 424 Fit -0.066628 425 Fit -0.067008 426 Fit -0.027567 427 Fit -0.038712 428 Fit -0.045868 429 Fit -0.050979 430 Fit -0.055029 431 Fit -0.058382 432 Fit -0.060968 433 Fit -0.062499 434 Fit -0.062738 435 Fit -0.061845 436 Fit -0.028009 437 Fit -0.038176 438 Fit -0.045092 439 Fit -0.050069 440 Fit -0.053811 441 Fit -0.056453 442 Fit -0.057730 443 Fit -0.057235 444 Fit -0.054653 445 Fit -0.028048 446 Fit -0.037877 447 Fit -0.044565 448 Fit -0.048974 449 Fit -0.051344 450 Fit -0.051241 451 Fit -0.047849 452 Fit -0.039973 453 Fit 0.000564 454 Fit -0.014586 455 Fit -0.027333 456 Fit -0.036741 457 Fit -0.042369 458 Fit -0.044175 459 Fit -0.041289 460 Fit -0.032221 461 Fit -0.001933 462 Fit -0.014728 463 Fit -0.025743 464 Fit -0.034190 465 Fit -0.032525 466 Fit -0.019725 467 Fit -0.013143 468 Fit -0.023190 469 Fit 0.021413 470 Fit 0.022373 471 Fit 0.025127 472 Fit 0.024022 473 Fit 0.024593 474 Fit 0.029044 475 Fit 0.029179 476 Fit 0.034509 477 Fit 0.036795 478 Fit 0.027264 479 Fit 0.029754 480 Fit 0.030764 481 Fit 0.044553 482 Fit 0.039577 483 Fit 0.030207 484 Fit 0.028052 485 Fit 0.029904 486 Fit 0.034745 487 Fit 0.041599 488 Fit 0.032397 489 Fit 0.027108 490 Fit 0.031460 491 Fit 0.026823 492 Fit 0.023376 493 Fit 0.022316 494 Fit 0.027528 495 Fit 0.032343 496 Fit 0.025083 497 Fit 0.022510 498 Fit 0.022410 499 Fit 0.029259 500 Fit 0.034620 501 Fit 0.038097 502 Fit 0.028533 503 Fit 0.031385 504 Fit 0.036828 505 Fit 0.040507 506 Fit 0.043145 507 Fit 0.041989 508 Fit 0.057907 509 Fit 0.050769 510 Fit 0.049434 511 Fit 0.034219 512 Fit 0.042925 513 Fit 0.044000 514 Fit 0.044372 515 Fit 0.044272 516 Fit 0.045341 517 Fit 0.045248 518 Fit 0.031355 519 Fit 0.029101 520 Fit 0.038048 521 Fit 0.040814 522 Fit 0.042826 523 Fit 0.045240 524 Fit 0.039354 525 Fit 0.034329 526 Fit 0.030582 527 Fit 0.030613 528 Fit 0.035422 529 Fit 0.039301 530 Fit 0.034666 531 Fit 0.015008 532 Fit 0.015976 533 Fit 0.016674 534 Fit 0.017974 535 Fit 0.016721 536 Fit 0.015941 537 Fit 0.016014 538 Fit 0.021088 539 Fit 0.024433 540 Fit 0.019588 541 Fit 0.017591 542 Fit 0.019576 543 Fit 0.020717 544 Fit 0.020986 545 Fit 0.029049 546 Fit 0.031998 547 Fit 0.040794 548 Fit 0.027122 549 Fit 0.027305 550 Fit 0.036520 551 Fit 0.034254 552 Fit 0.026817 553 Fit 0.026576 554 Fit 0.029880 555 Fit 0.034582 556 Fit 0.035665 557 Fit 0.030683 558 Fit 0.029239 559 Fit 0.009098 560 Fit -0.003053 561 Fit 0.024548 562 Fit 0.018251 563 Fit 0.011015 564 Fit 0.000771 565 Fit -0.015007 566 Fit 0.023180 567 Fit 0.018898 568 Fit 0.013103 569 Fit 0.004741 570 Fit -0.007923 571 Fit 0.026614 572 Fit 0.023201 573 Fit 0.019753 574 Fit 0.014626 575 Fit 0.007116 576 Fit -0.004102 577 Fit -0.021403 578 Fit 0.025129 579 Fit 0.024555 580 Fit 0.021038 581 Fit 0.015865 582 Fit 0.008383 583 Fit -0.002568 584 Fit -0.018841 585 Fit 0.026568 586 Fit 0.027298 587 Fit 0.022736 588 Fit 0.016737 589 Fit 0.008463 590 Fit -0.003082 591 Fit -0.018546 592 Fit 0.031092 593 Fit 0.031293 594 Fit 0.024819 595 Fit 0.017588 596 Fit 0.008674 597 Fit -0.001580 598 Fit -0.009385 599 Fit 0.038919 600 Fit 0.036023 601 Fit 0.026937 602 Fit 0.018770 603 Fit 0.012227 604 Fit 0.012555 605 Fit 0.023848 606 Fit 0.049507 607 Fit 0.040414 608 Fit 0.029170 609 Fit 0.028321 610 Fit 0.042781 611 Fit 0.042992 612 Fit 0.012985 613 Fit 0.012436 614 Fit 0.013265 615 Fit 0.013753 616 Fit 0.012746 617 Fit 0.011659 618 Fit 0.013494 619 Fit 0.013459 620 Fit 0.013916 621 Fit 0.014859 622 Fit 0.013884 623 Fit 0.012294 624 Fit 0.010867 625 Fit 0.012919 626 Fit 0.013395 627 Fit 0.014371 628 Fit 0.014991 629 Fit 0.015889 630 Fit 0.015056 631 Fit 0.013518 632 Fit 0.011571 633 Fit 0.010031 634 Fit 0.011888 635 Fit 0.012595 636 Fit 0.013981 637 Fit 0.015226 638 Fit 0.015927 639 Fit 0.016623 640 Fit 0.016011 641 Fit 0.014702 642 Fit 0.012849 643 Fit 0.010813 644 Fit 0.009926 645 Fit 0.010610 646 Fit 0.012349 647 Fit 0.014179 648 Fit 0.015638 649 Fit 0.016490 650 Fit 0.016967 651 Fit 0.016645 652 Fit 0.015622 653 Fit 0.014039 654 Fit 0.012186 655 Fit 0.010722 656 Fit 0.006484 657 Fit 0.008378 658 Fit 0.010962 659 Fit 0.013405 660 Fit 0.015318 661 Fit 0.016527 662 Fit 0.016920 663 Fit 0.017060 664 Fit 0.016486 665 Fit 0.015435 666 Fit 0.014345 667 Fit 0.000203 668 Fit 0.003436 669 Fit 0.007485 670 Fit 0.011153 671 Fit 0.014008 672 Fit 0.015928 673 Fit 0.016562 674 Fit 0.017555 675 Fit 0.017868 676 Fit 0.018132 677 Fit 0.019563 678 Fit -0.008030 679 Fit -0.000620 680 Fit 0.006045 681 Fit 0.011071 682 Fit 0.014498 683 Fit 0.016066 684 Fit 0.018777 685 Fit 0.021248 686 Fit 0.025690 687 Fit -0.005069 688 Fit 0.005206 689 Fit 0.011890 690 Fit 0.015823 691 Fit 0.022384 692 Fit 0.007032 693 Fit 0.012248 694 Fit 0.011821 695 Fit 0.011583 696 Fit 0.011932 697 Fit 0.012587 698 Fit 0.012759 699 Fit 0.012444 700 Fit 0.011319 701 Fit 0.010796 702 Fit 0.010491 703 Fit 0.010439 704 Fit 0.010976 705 Fit 0.012028 706 Fit 0.012932 707 Fit 0.013352 708 Fit 0.013671 709 Fit 0.012271 710 Fit 0.010921 711 Fit 0.009995 712 Fit 0.009346 713 Fit 0.008686 714 Fit 0.008178 715 Fit 0.008313 716 Fit 0.009441 717 Fit 0.011249 718 Fit 0.012912 719 Fit 0.013908 720 Fit 0.014573 721 Fit 0.009358 722 Fit 0.008225 723 Fit 0.007057 724 Fit 0.005710 725 Fit 0.004529 726 Fit 0.004218 727 Fit 0.005432 728 Fit 0.008128 729 Fit 0.011316 730 Fit 0.013814 731 Fit 0.015270 732 Fit 0.016405 733 Fit 0.009372 734 Fit 0.007358 735 Fit 0.005522 736 Fit 0.003291 737 Fit 0.000766 738 Fit -0.001405 739 Fit -0.002096 740 Fit -0.000188 741 Fit 0.004387 742 Fit 0.010003 743 Fit 0.014462 744 Fit 0.016956 745 Fit 0.018486 746 Fit 0.007013 747 Fit 0.004035 748 Fit 0.000384 749 Fit -0.004055 750 Fit -0.008600 751 Fit -0.011554 752 Fit -0.010385 753 Fit -0.003475 754 Fit 0.007134 755 Fit 0.016120 756 Fit 0.020233 757 Fit 0.002627 758 Fit -0.003704 759 Fit -0.011667 760 Fit -0.020073 761 Fit 0.000607 762 Fit -0.011391 763 Fit -0.001052 764 Fit 0.009483 765 Fit 0.005732 766 Fit -0.007417 767 Fit -0.014848 768 Fit -0.009208 769 Fit 0.001063 770 Fit 0.017784 771 Fit 0.017492 772 Fit 0.010783 773 Fit -0.001009 774 Fit -0.018311 775 Fit 0.009804 776 Fit 0.025379 777 Fit 0.025207 778 Fit 0.019750 779 Fit 0.012535 780 Fit 0.002040 781 Fit -0.029684 782 Fit 0.034631 783 Fit 0.006355 784 Fit -0.023563 785 Fit -0.011294 786 Fit -0.003399 787 Fit 0.005895 788 Fit 0.002970 789 Fit -0.003082 790 Fit -0.004378 791 Fit 0.000178 792 Fit 0.008593 793 Fit 0.018340 794 Fit 0.029608 795 Fit 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