Entering Gaussian System, Link 0=g09 Input=gau_job.inp Output=gau_job.log Initial command: /opt/gaussian/09.D.01/g09/l1.exe "/home/budhdipe/gaussian_basis_trial/Gau-30733.inp" -scrdir="/home/budhdipe/gaussian_basis_trial/" Entering Link 1 = /opt/gaussian/09.D.01/g09/l1.exe PID= 30781. Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2013, Gaussian, Inc. All Rights Reserved. This is part of the Gaussian(R) 09 program. It is based on 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 09, Revision D.01, M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, B. Mennucci, G. A. Petersson, H. Nakatsuji, M. Caricato, X. Li, H. P. Hratchian, A. F. Izmaylov, J. Bloino, G. Zheng, J. L. Sonnenberg, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, T. Vreven, J. A. Montgomery, Jr., J. E. Peralta, F. Ogliaro, M. Bearpark, J. J. Heyd, E. Brothers, K. N. Kudin, V. N. Staroverov, T. Keith, R. Kobayashi, J. Normand, K. Raghavachari, A. Rendell, J. C. Burant, S. S. Iyengar, J. Tomasi, M. Cossi, N. Rega, J. M. Millam, M. Klene, J. E. Knox, J. B. Cross, V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann, O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J. W. Ochterski, R. L. Martin, K. Morokuma, V. G. Zakrzewski, G. A. Voth, P. Salvador, J. J. Dannenberg, S. Dapprich, A. D. Daniels, O. Farkas, J. B. Foresman, J. V. Ortiz, J. Cioslowski, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2013. ****************************************** Gaussian 09: ES64L-G09RevD.01 24-Apr-2013 28-Apr-2017 ****************************************** %chk=gau_job.chk %NProcShared=1 Will use up to 1 processors via shared memory. %mem=256MB ---------------------------------------------------------------------- #P M062X/6-311++G* SCF=(Conver=8) NoSymm Force Charge Prop=(Field,Read ) ---------------------------------------------------------------------- 1/10=7,18=10,28=-2,30=1,38=1,125=101/1,3; 2/12=2,15=1,17=6,18=5,29=2,40=1/2; 3/5=4,6=6,7=1011,11=2,16=1,25=1,30=1,71=1,74=-55/1,2,3; 4//1; 5/5=2,6=8,38=5/2; 6/7=2,8=2,9=2,10=2,14=2,15=1,28=1/1,2; 7/7=1,16=-2,29=1,30=1/1,2,3,16; 1/10=7,18=10,28=-2,30=1/3; 99/12=1/99; Leave Link 1 at Fri Apr 28 12:25:03 2017, MaxMem= 33554432 cpu: 0.0 (Enter /opt/gaussian/09.D.01/g09/l101.exe) --------------------------------------------- Gaussian run using SANDER external interface. --------------------------------------------- Symbolic Z-matrix: Charge = 0 Multiplicity = 1 N -4.97565 1.2629 -0.46582 H -4.48966 1.01711 0.38477 C -5.97502 0.34026 -0.97998 H -6.79172 0.83242 -1.50807 C -5.34099 -0.70184 -1.91715 H -4.52725 -1.20954 -1.39929 H -6.09459 -1.43191 -2.2124 H -4.95121 -0.20353 -2.80476 C -6.56646 -0.3383 0.24006 O -5.86428 -0.51964 1.24523 C 5.11815 -1.54013 -0.86577 C 5.72449 -2.2048 0.24824 C 4.21216 -0.45361 -0.63959 C 3.92063 -0.03908 0.67291 C 4.52198 -0.69783 1.79441 C 5.42256 -1.78341 1.5692 C -1.06928 0.32724 1.59214 C -0.55695 1.67291 1.69111 C 0.82163 1.88751 1.44045 C 1.67627 0.76901 1.09637 C -0.23855 -0.7728 1.25576 C 1.13368 -0.56462 1.00594 O 3.02845 1.03041 0.85997 Cl 6.79172 -3.48448 0.00281 Cl -2.70392 0.07152 1.89063 Cl 1.43976 3.48448 1.55679 O 3.60842 0.20949 -1.66943 H -0.66023 -1.77257 1.19097 H 5.34574 -1.86037 -1.87929 H 4.29105 -0.37008 2.80476 H 5.87785 -2.28789 2.41759 H -1.22431 2.49024 1.95221 H 1.78133 -1.39821 0.74663 H 3.03397 0.91017 -1.31203 H -4.73771 2.20545 -0.95884 H -7.61155 -0.64184 0.17882 NAtoms= 36 NQM= 36 NQMF= 0 NMMI= 0 NMMIF= 0 NMic= 0 NMicF= 0. Isotopes and Nuclear Properties: (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM) in nuclear magnetons) Atom 1 2 3 4 5 6 7 8 9 10 IAtWgt= 14 1 12 1 12 1 1 1 12 16 AtmWgt= 14.0030740 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 15.9949146 NucSpn= 2 1 0 1 0 1 1 1 0 0 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 2.0440000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 0.4037610 2.7928460 0.0000000 2.7928460 0.0000000 2.7928460 2.7928460 2.7928460 0.0000000 0.0000000 AtZNuc= 7.0000000 1.0000000 6.0000000 1.0000000 6.0000000 1.0000000 1.0000000 1.0000000 6.0000000 8.0000000 Atom 11 12 13 14 15 16 17 18 19 20 IAtWgt= 12 12 12 12 12 12 12 12 12 12 AtmWgt= 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 NucSpn= 0 0 0 0 0 0 0 0 0 0 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 AtZNuc= 6.0000000 6.0000000 6.0000000 6.0000000 6.0000000 6.0000000 6.0000000 6.0000000 6.0000000 6.0000000 Atom 21 22 23 24 25 26 27 28 29 30 IAtWgt= 12 12 16 35 35 35 16 1 1 1 AtmWgt= 12.0000000 12.0000000 15.9949146 34.9688527 34.9688527 34.9688527 15.9949146 1.0078250 1.0078250 1.0078250 NucSpn= 0 0 0 3 3 3 0 1 1 1 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 -8.1650000 -8.1650000 -8.1650000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 0.0000000 0.0000000 0.0000000 0.8218740 0.8218740 0.8218740 0.0000000 2.7928460 2.7928460 2.7928460 AtZNuc= 6.0000000 6.0000000 8.0000000 17.0000000 17.0000000 17.0000000 8.0000000 1.0000000 1.0000000 1.0000000 Atom 31 32 33 34 35 36 IAtWgt= 1 1 1 1 1 1 AtmWgt= 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 NucSpn= 1 1 1 1 1 1 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 2.7928460 2.7928460 2.7928460 2.7928460 2.7928460 2.7928460 AtZNuc= 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 Background charge distribution read from input stream: Point Charges: XYZ= 3.6908 13.1072 1.9730 Q= 0.5973 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 4.8405 12.7012 1.8135 Q= -0.5679 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 2.7944 12.4737 2.7143 Q= -0.4157 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 1.9337 12.9385 2.9661 Q= 0.2719 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 3.0064 11.1205 3.1834 Q= -0.0252 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 2.0164 10.6876 3.3267 Q= 0.0698 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 3.5194 10.5943 2.3785 Q= 0.0698 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 3.7994 10.9635 4.4558 Q= 0.5973 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 4.1639 9.8572 4.8294 Q= -0.5679 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 4.0929 12.0654 5.1239 Q= -0.4157 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 5.5782 11.1827 6.2953 Q= 0.0922 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 4.0658 10.3530 8.0127 Q= -0.4157 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 4.8373 9.7823 7.6977 Q= 0.2719 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 3.1630 9.8020 9.0122 Q= -0.0518 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 2.4228 8.5787 8.4633 Q= -0.1102 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 1.9371 8.9453 7.5590 Q= 0.0457 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 3.1572 7.8182 8.1979 Q= 0.0457 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 1.3733 7.9704 9.3944 Q= 0.3531 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 1.8608 7.6581 10.3179 Q= -0.0361 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 0.2799 8.9858 9.7149 Q= -0.4121 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -0.2084 9.2982 8.7919 Q= 0.1000 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 0.7726 6.7172 8.7776 Q= -0.4121 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 1.5597 5.9830 8.6058 Q= 0.1000 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 0.0281 6.2991 9.4552 Q= 0.1000 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 0.2987 6.9698 7.8291 Q= 0.1000 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 8.2469 4.2112 10.2767 Q= 0.0362 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 9.6690 3.4204 9.5560 Q= 0.0362 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 9.3361 5.7519 8.3005 Q= 0.7341 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 9.7760 5.0662 7.3895 Q= -0.5894 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 8.4426 6.7118 8.1087 Q= -0.4157 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 7.9192 6.9702 6.7773 Q= -0.0249 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 7.3967 6.0856 6.4131 Q= 0.0843 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 6.9434 8.1411 6.7910 Q= 0.2117 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 7.4502 9.0189 7.1921 Q= 0.0352 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 6.6201 8.3438 5.7700 Q= 0.0352 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 5.8161 7.8409 7.5916 Q= -0.6546 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 5.2134 8.5881 7.5887 Q= 0.4275 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 9.0528 7.2515 5.8055 Q= 0.5973 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 8.8358 6.9025 4.5456 Q= -0.4157 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 8.0217 6.3635 4.2873 Q= 0.2719 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 9.7989 7.2257 3.5166 Q= -0.0597 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 10.7988 6.9101 3.8144 Q= 0.0869 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 9.4277 6.5592 2.1729 Q= 0.1303 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 8.3460 6.5998 2.0446 Q= 0.0187 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 10.0966 7.2720 1.0250 Q= -0.3204 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 9.8232 6.7882 0.0873 Q= 0.0882 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 9.7726 8.3125 1.0044 Q= 0.0882 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 9.8252 5.0813 2.1977 Q= -0.0430 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 10.9140 5.0463 2.2349 Q= 0.0236 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 9.4171 4.6585 3.1158 Q= 0.0236 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 9.3242 4.2609 0.9852 Q= -0.0660 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 9.7323 4.6828 0.0668 Q= 0.0186 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 9.6515 3.2261 1.0858 Q= 0.0186 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 8.2354 4.2951 0.9477 Q= 0.0186 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 8.7283 9.3946 3.5319 Q= -0.4157 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 7.8703 8.8674 3.6100 Q= 0.2719 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 7.2059 11.2934 3.7107 Q= -0.1825 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 6.8399 10.9463 4.6770 Q= 0.0603 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 6.5913 10.8697 2.9165 Q= 0.0603 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -4.2686 11.1840 4.2686 Q= 0.0791 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -4.8055 10.1252 6.4191 Q= 0.0791 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -5.4948 10.7011 -2.2071 Q= 0.0791 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -3.7318 10.9124 -2.3270 Q= 0.0791 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -4.5639 11.2343 -0.7871 Q= 0.0791 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -9.5921 10.2261 -0.2761 Q= 0.0187 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -10.8469 9.1795 -1.9584 Q= 0.0236 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -11.7692 8.7770 0.2949 Q= 0.0186 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 2.3404 9.7737 -4.9542 Q= -0.5432 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 1.1070 9.2934 -4.9256 Q= 0.1635 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 0.9331 8.2306 -4.8443 Q= 0.1435 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 0.2642 10.3048 -5.0099 Q= -0.2795 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -0.7436 10.2389 -5.0254 Q= 0.3339 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 4.6501 11.0191 -3.0565 Q= 0.5973 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 5.3836 10.2408 -3.6592 Q= -0.5679 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 4.2724 10.8134 -1.7974 Q= -0.4157 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 3.6927 11.4905 -1.3223 Q= 0.2719 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 4.7151 9.6309 -1.0504 Q= -0.0249 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 5.0781 8.8748 -1.7465 Q= 0.0843 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 5.8459 9.9859 -0.0797 Q= 0.2117 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 6.5924 10.5540 -0.6347 Q= 0.0352 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 5.4234 10.6124 0.7058 Q= 0.0352 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 6.4577 8.8434 0.5036 Q= -0.6546 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 7.1557 9.1237 1.1001 Q= 0.4275 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 3.5156 9.0700 -0.3082 Q= 0.5973 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 3.4839 9.0331 0.9184 Q= -0.5679 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 2.5377 8.6173 -1.0875 Q= -0.4157 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 2.7635 8.3954 -2.0465 Q= 0.2719 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 1.1949 8.3318 -0.6124 Q= -0.0597 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 1.1820 8.0521 0.4410 Q= 0.0869 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 0.3122 9.5507 -0.8233 Q= 0.1303 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 0.5536 9.9994 -1.7869 Q= 0.0187 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -1.1556 9.1585 -0.8010 Q= -0.3204 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -1.3978 8.7100 0.1625 Q= 0.0882 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -1.7714 10.0448 -0.9537 Q= 0.0882 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -1.3520 8.4389 -1.5958 Q= 0.0882 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 0.6163 10.6004 0.2267 Q= -0.0430 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 0.4543 10.1499 1.2059 Q= 0.0236 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 1.6649 10.8803 0.1251 Q= 0.0236 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -0.2494 11.8326 0.0897 Q= -0.0660 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -1.2981 11.5536 0.1916 Q= 0.0186 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 0.0126 12.5497 0.8677 Q= 0.0186 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -0.0875 12.2840 -0.8892 Q= 0.0186 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 0.5827 7.2374 -1.4585 Q= 0.5973 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 0.6579 7.2876 -2.6846 Q= -0.5679 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -0.0250 6.2576 -0.7981 Q= -0.4157 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 0.0584 6.2140 0.2075 Q= 0.2719 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -0.7918 5.2174 -1.4740 Q= 0.0337 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -1.3196 5.6264 -2.3356 Q= 0.0823 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 0.1206 4.0931 -1.9505 Q= -0.1825 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 0.6493 3.6674 -1.0976 Q= 0.0603 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -0.4770 3.3182 -2.4306 Q= 0.0603 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 0.8430 4.4886 -2.6645 Q= 0.0603 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -1.8359 4.6705 -0.5133 Q= 0.5973 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -1.6822 4.7733 0.6977 Q= -0.5679 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -2.8973 4.0894 -1.0571 Q= -0.4157 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -3.0672 4.1598 -2.0502 Q= 0.2719 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -3.8762 3.3878 -0.2368 Q= -0.0024 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -3.3541 2.7962 0.5152 Q= 0.0978 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -4.8262 4.3624 0.4776 Q= -0.0343 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -4.2634 4.9585 1.1960 Q= 0.0295 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -5.3130 5.0231 -0.2398 Q= 0.0295 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -5.9274 3.6792 1.2518 Q= 0.0118 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -5.7020 3.2172 2.5348 Q= -0.1256 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -4.7259 3.3564 2.9755 Q= 0.1330 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -6.6997 2.5866 3.2516 Q= -0.1704 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -6.5010 2.2341 4.2529 Q= 0.1430 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -7.9545 2.4056 2.6888 Q= -0.1072 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -8.7400 1.9183 3.2474 Q= 0.1297 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -8.1964 2.8543 1.4022 Q= -0.1704 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -9.1685 2.7157 0.9526 Q= 0.1430 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -7.1809 3.4870 0.6861 Q= -0.1256 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -7.3649 3.8338 -0.3200 Q= 0.1330 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -5.0322 2.6779 -2.2096 Q= -0.5679 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -8.7774 -0.4546 -0.9545 Q= 0.0192 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -8.5795 -1.1615 -1.7603 Q= 0.0391 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -8.6326 0.5620 -1.3201 Q= 0.0391 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -10.1291 -0.6522 -0.3334 Q= 0.0189 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -10.8254 -1.0225 -1.0859 Q= 0.0213 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -10.4916 0.2974 0.0603 Q= 0.0213 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -9.9352 -1.6419 0.7614 Q= -0.0070 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -9.9926 -2.6361 0.3182 Q= 0.0253 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -10.6531 -1.5667 1.5782 Q= 0.0253 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -8.5146 -1.3859 1.2871 Q= -0.0266 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -8.4812 -0.7302 2.1572 Q= 0.0641 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -7.8262 -2.7033 1.6183 Q= 0.5896 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -7.3660 -3.3950 0.7097 Q= -0.5748 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -7.7720 -3.0476 2.9012 Q= -0.3479 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -8.1960 -2.4519 3.5979 Q= 0.2747 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -7.0343 -4.2224 3.3522 Q= -0.2637 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -5.9703 -4.0877 3.1575 Q= 0.1560 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -7.2331 -4.4353 4.8521 Q= -0.0007 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -8.3065 -4.4394 5.0415 Q= 0.0327 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -6.8170 -5.4115 5.1009 Q= 0.0327 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -6.5726 -3.3708 5.7089 Q= 0.0390 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -5.5132 -3.6054 5.8125 Q= 0.0285 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -6.6838 -2.4027 5.2205 Q= 0.0285 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -7.2146 -3.3211 7.0793 Q= 0.0486 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -6.7109 -4.0205 7.7465 Q= 0.0687 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -7.1367 -2.3124 7.4850 Q= 0.0687 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -8.6259 -3.6852 6.9991 Q= -0.5295 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -8.9366 -4.1481 6.1569 Q= 0.3456 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -9.5124 -3.4551 7.9586 Q= 0.8076 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -9.1398 -2.8462 9.0759 Q= -0.8627 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -8.1790 -2.5582 9.1941 Q= 0.4478 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -9.8184 -2.6732 9.8036 Q= 0.4478 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -10.7756 -3.8269 7.7956 Q= -0.8627 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -11.0578 -4.2843 6.9405 Q= 0.4478 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -11.4490 -3.6508 8.5274 Q= 0.4478 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -7.3917 -5.4956 2.5893 Q= 0.7341 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -6.5173 -6.3234 2.3114 Q= -0.5894 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -8.6676 -5.6566 2.2531 Q= -0.5163 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -9.3700 -4.9929 2.5470 Q= 0.2936 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -9.1052 -6.8713 1.5717 Q= 0.0381 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -8.6870 -7.7396 2.0809 Q= 0.0880 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -10.6355 -6.9958 1.5663 Q= -0.0303 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -10.8822 -7.9908 1.1959 Q= -0.0122 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -10.9788 -6.8965 2.5960 Q= -0.0122 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -11.3251 -5.9414 0.6947 Q= 0.7994 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -10.6680 -4.9883 0.2429 Q= -0.8014 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -12.5442 -6.0654 0.4580 Q= -0.8014 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -8.5176 -6.9864 0.1573 Q= 0.5366 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -8.6465 -8.0215 -0.4907 Q= -0.5819 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -7.8568 -5.9285 -0.3039 Q= -0.4157 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -7.8010 -5.0881 0.2534 Q= 0.2719 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -7.2203 -5.9317 -1.6145 Q= -0.0031 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -7.7200 -6.6511 -2.2632 Q= 0.0850 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -7.3049 -4.5500 -2.2612 Q= -0.0036 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -6.7794 -3.8565 -1.6047 Q= 0.0171 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -6.7834 -4.6111 -3.2164 Q= 0.0171 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -8.7092 -4.0595 -2.4874 Q= -0.0645 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -9.2184 -3.9803 -1.5269 Q= 0.0352 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -8.6739 -3.0786 -2.9613 Q= 0.0352 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -9.4926 -4.9933 -3.3717 Q= 0.6951 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -9.3023 -5.0177 -4.5900 Q= -0.6086 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -10.3822 -5.7704 -2.7674 Q= -0.9407 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -10.9362 -6.4164 -3.3114 Q= 0.4251 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -10.5014 -5.7124 -1.7661 Q= 0.4251 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -5.7567 -6.3337 -1.5354 Q= 0.5973 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -5.0675 -6.3342 -2.5520 Q= -0.5679 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -5.2758 -6.6611 -0.3377 Q= -0.4157 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -5.8746 -6.6794 0.4754 Q= 0.2719 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -3.8521 -6.9402 -0.1565 Q= -0.0518 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -3.3567 -6.9880 -1.1263 Q= 0.0922 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -3.1962 -5.8338 0.6740 Q= -0.1102 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -3.7395 -5.8704 1.6182 Q= 0.0457 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -2.1590 -6.1246 0.8407 Q= 0.0457 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -3.2427 -4.4119 0.1145 Q= 0.3531 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -4.2378 -4.2179 -0.2857 Q= -0.0361 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -2.9335 -3.4077 1.2094 Q= -0.4121 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -1.9383 -3.6009 1.6098 Q= 0.1000 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -2.9697 -2.3988 0.7985 Q= 0.1000 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -3.6701 -3.5011 2.0074 Q= 0.1000 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -2.2629 -4.2700 -1.0423 Q= -0.4121 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -2.5281 -4.9728 -1.8321 Q= 0.1000 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -2.3052 -3.2530 -1.4323 Q= 0.1000 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -1.2528 -4.4824 -0.6918 Q= 0.1000 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -3.5752 -8.2899 0.4976 Q= 0.5973 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -2.5141 -8.5018 1.0820 Q= -0.5679 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -4.5282 -9.2031 0.4073 Q= -0.5163 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -5.3916 -9.0111 -0.0803 Q= 0.2936 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -4.3582 -10.5097 1.0180 Q= 0.0397 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -3.3026 -10.6973 1.2144 Q= 0.1105 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -5.1180 -10.5663 2.3404 Q= 0.0560 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -4.8171 -9.6975 2.9258 Q= -0.0173 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -6.8788 -10.0404 1.2553 Q= -0.0425 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -7.3354 -9.9096 3.3377 Q= 0.8054 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -6.6672 -9.1355 4.0592 Q= -0.8188 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -5.7008 -10.7395 -5.7851 Q= 0.0978 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -5.2727 -8.6526 -7.8875 Q= -0.1256 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -4.9466 -8.5091 -6.8680 Q= 0.1330 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -5.7546 -7.5824 -8.6156 Q= -0.1704 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -5.8046 -6.5993 -8.1712 Q= 0.1430 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -6.1757 -7.7749 -9.9244 Q= -0.1072 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -6.5447 -6.9395 -10.5009 Q= 0.1297 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -9.7484 -10.4597 -3.4575 Q= 0.0213 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -8.3866 -10.1341 -2.8364 Q= -0.1231 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -8.5030 -9.5979 -1.8946 Q= 0.1112 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -7.8052 -11.0407 -2.6683 Q= 0.1112 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -7.3793 -9.0848 -3.8850 Q= -0.3119 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -6.3330 -9.0230 -3.0566 Q= 0.1933 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -10.2472 -9.2360 -4.2269 Q= 0.5973 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -10.8908 -8.3596 -3.6603 Q= -0.5679 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -9.9431 -9.1663 -5.5156 Q= -0.4157 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -9.4083 -9.8855 -5.9812 Q= 0.2719 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -10.2672 -7.9528 -6.2607 Q= -0.0875 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -9.8777 -7.0607 -5.7702 Q= 0.0969 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -9.7192 -8.0027 -7.6983 Q= 0.2985 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -8.6982 -8.3835 -7.6757 Q= -0.0297 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -9.6444 -6.5924 -8.2734 Q= -0.3192 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -8.9832 -5.9828 -7.6575 Q= 0.0791 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -9.2559 -6.6345 -9.2910 Q= 0.0791 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -10.6407 -6.1502 -8.2835 Q= 0.0791 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -11.7682 -7.6027 -6.2660 Q= 0.5973 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -12.0688 -6.3240 -6.0495 Q= -0.4157 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -11.3402 -5.6803 -5.7760 Q= 0.2719 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -13.4309 -5.8140 -6.1777 Q= -0.0389 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -14.0602 -5.5113 -4.8022 Q= 0.3654 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -14.0900 -6.7610 -3.9494 Q= -0.2438 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -13.0733 -7.1251 -3.8020 Q= 0.0642 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -14.5369 -6.5309 -2.9822 Q= 0.0642 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -13.2890 -4.5049 -4.1292 Q= -0.6761 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -13.6829 -4.3187 -3.2738 Q= 0.4102 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -13.4024 -4.5373 -7.0095 Q= 0.5973 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -12.3494 -3.9019 -7.1490 Q= -0.5679 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -14.2261 -1.7588 -7.6439 Q= 0.7341 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -13.5376 -0.8693 -8.1463 Q= -0.5894 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -14.6989 -1.7209 -6.4042 Q= -0.5163 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -15.1619 -2.5407 -6.0384 Q= 0.2936 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -14.5955 -0.5585 -5.5564 Q= 0.0397 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -14.8234 0.3458 -6.1206 Q= 0.1105 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -15.5963 -0.6834 -4.4096 Q= 0.0560 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -15.4713 -1.6791 -3.9841 Q= -0.0173 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -15.4294 0.3562 -3.3192 Q= 0.0136 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -15.9074 -0.0227 -2.4158 Q= -0.0425 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -14.3622 0.4848 -3.1383 Q= -0.0425 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -16.0410 1.6878 -3.6921 Q= 0.8054 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -15.9597 2.0706 -4.8826 Q= -0.8188 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -13.1927 -0.4403 -5.0019 Q= 0.5366 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -12.6347 0.6472 -4.9611 Q= -0.5819 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -12.6426 -1.5691 -4.5582 Q= -0.4157 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -13.1792 -2.4244 -4.5839 Q= 0.2719 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -11.2919 -1.6207 -4.0348 Q= -0.0252 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -11.1956 -0.9141 -3.2104 Q= 0.0698 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -11.0808 -2.6280 -3.6757 Q= 0.0698 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -10.2908 -1.2618 -5.1101 Q= 0.5973 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -9.2762 -0.6054 -4.8466 Q= -0.5679 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -10.5896 -1.6895 -6.3310 Q= -0.4157 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -11.3963 -2.2829 -6.4623 Q= 0.2719 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -9.7855 -1.3451 -7.5006 Q= -0.0024 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -8.7486 -1.6479 -7.3546 Q= 0.0978 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -10.3432 -2.0818 -8.7237 Q= -0.0343 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -10.4596 -3.1272 -8.4380 Q= 0.0295 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -11.3073 -1.6820 -9.0381 Q= 0.0295 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -9.4450 -2.0634 -9.9481 Q= 0.0118 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -9.5142 -1.0218 -10.8676 Q= -0.1256 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -10.2053 -0.2125 -10.6837 Q= 0.1330 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -8.7251 -1.0091 -11.9921 Q= -0.1704 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -7.7800 -3.1129 -11.3438 Q= -0.1704 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -7.1012 -3.9329 -11.5264 Q= 0.1430 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -8.5877 -3.1166 -10.2084 Q= -0.1256 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -8.5483 -3.9482 -9.5205 Q= 0.1330 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -9.8647 0.1706 -7.6866 Q= 0.5973 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -8.8527 0.8532 -7.7701 Q= -0.5679 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -11.0805 0.6896 -7.7347 Q= -0.4157 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -11.8824 0.0824 -7.6428 Q= 0.2719 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -11.3109 2.1051 -7.9500 Q= -0.0249 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -10.9289 2.4119 -8.9237 Q= 0.0843 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -12.8184 2.3743 -7.9086 Q= 0.2117 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -13.3085 1.7304 -8.6389 Q= 0.0352 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -13.1882 2.1382 -6.9108 Q= 0.0352 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -13.1012 3.7247 -8.2076 Q= -0.6546 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -10.5963 2.9663 -6.8945 Q= 0.5973 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -9.9794 3.9862 -7.2081 Q= -0.5679 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -10.6764 2.5431 -5.6416 Q= -0.4157 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -11.1565 1.6823 -5.4211 Q= 0.2719 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -10.1301 3.3276 -4.5463 Q= -0.0597 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -10.3960 4.3789 -4.6564 Q= 0.0869 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -10.6466 2.8082 -3.1977 Q= 0.1303 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -10.5110 1.7275 -3.1558 Q= 0.0187 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -9.8873 3.4552 -2.0627 Q= -0.3204 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -10.0228 4.5360 -2.1036 Q= 0.0882 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -10.2634 3.0781 -1.1116 Q= 0.0882 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -8.8270 3.2189 -2.1528 Q= 0.0882 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -12.1522 3.0894 -3.0718 Q= -0.0430 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -12.2634 4.1701 -2.9828 Q= 0.0236 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -12.6133 2.7525 -4.0002 Q= 0.0236 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -12.8371 2.4070 -1.8856 Q= -0.0660 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -12.3769 2.7438 -0.9567 Q= 0.0186 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -13.8963 2.6642 -1.8798 Q= 0.0186 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -12.7267 1.3262 -1.9742 Q= 0.0186 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -8.6088 3.2919 -4.5897 Q= 0.5973 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -7.9399 4.3180 -4.4751 Q= -0.5679 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -8.0571 2.1031 -4.7856 Q= -0.4157 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -8.6128 1.2597 -4.7920 Q= 0.2719 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -6.6138 1.9785 -4.9062 Q= 0.0337 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -6.1729 2.2775 -3.9553 Q= 0.0823 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -6.2202 0.5479 -5.1923 Q= -0.1825 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -6.6467 0.2369 -6.1459 Q= 0.0603 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -5.1338 0.4717 -5.2387 Q= 0.0603 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -6.5957 -0.0984 -4.3989 Q= 0.0603 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -6.0620 2.9257 -5.9763 Q= 0.5973 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -5.0732 3.6104 -5.7488 Q= -0.5679 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -6.6997 2.9631 -7.1393 Q= -0.4157 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -7.5173 2.3931 -7.3024 Q= 0.2719 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -6.2001 3.7857 -8.2357 Q= -0.0581 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -5.1249 3.6396 -8.3396 Q= 0.1360 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -6.8746 3.4110 -9.5575 Q= -0.0074 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -7.9378 3.2323 -9.3973 Q= 0.0367 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -6.7469 4.2107 -10.2870 Q= 0.0367 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -6.3207 2.1679 -10.1831 Q= 0.1868 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -6.5149 0.9114 -9.6476 Q= -0.5432 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -5.9083 0.0142 -10.4018 Q= 0.1635 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -5.9437 -1.0347 -10.1469 Q= 0.1435 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -5.3274 0.6432 -11.4087 Q= -0.2795 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -4.7839 0.2122 -12.1429 Q= 0.3339 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -5.5794 1.9889 -11.3024 Q= -0.2207 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -5.1959 2.6711 -12.0467 Q= 0.1862 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -6.4052 5.2474 -7.9536 Q= 0.5973 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -5.5907 6.0878 -8.3280 Q= -0.5679 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -7.4964 5.5529 -7.2750 Q= -0.5163 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -8.1152 4.8260 -6.9450 Q= 0.2936 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -7.8784 6.9364 -7.0516 Q= 0.0381 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -7.8598 7.4948 -7.9875 Q= 0.0880 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -9.3048 6.9742 -6.4861 Q= -0.0303 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -9.9899 6.5601 -7.2258 Q= -0.0122 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -9.3026 6.3410 -5.5989 Q= -0.0122 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -9.7537 8.3694 -6.1086 Q= 0.7994 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -10.2082 8.5358 -4.9597 Q= -0.8014 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -6.8878 7.6603 -6.1235 Q= 0.5366 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -6.5090 8.7959 -6.3801 Q= -0.5819 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -6.4697 6.9821 -5.0587 Q= -0.4157 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -6.8056 6.0403 -4.9161 Q= 0.2719 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -5.5752 7.5505 -4.0684 Q= -0.0597 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -5.6869 8.6346 -4.0458 Q= 0.0869 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -5.8617 6.9782 -2.6744 Q= 0.1303 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -5.8997 5.8906 -2.7364 Q= 0.0187 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -4.7697 7.3924 -1.6998 Q= -0.3204 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -4.7314 8.4799 -1.6370 Q= 0.0882 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -4.9856 6.9794 -0.7145 Q= 0.0882 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -3.8084 7.0151 -2.0487 Q= 0.0882 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -7.2281 7.4702 -2.1702 Q= -0.0430 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -7.0974 8.4691 -1.7541 Q= 0.0236 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -7.9076 7.5176 -3.0211 Q= 0.0236 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -7.7976 6.5713 -1.1310 Q= -0.0660 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -7.1189 6.5237 -0.2794 Q= 0.0186 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -8.7628 6.9584 -0.8044 Q= 0.0186 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -7.9291 5.5722 -1.5464 Q= 0.0186 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -4.1064 7.2995 -4.4030 Q= 0.5973 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -3.2570 8.1489 -4.1421 Q= -0.5679 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -3.8057 6.1399 -4.9839 Q= -0.4157 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -4.5240 5.4748 -5.2329 Q= 0.2719 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -2.4133 5.7751 -5.2209 Q= -0.0249 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -1.7776 6.2070 -4.4479 Q= 0.0843 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -2.2588 4.2712 -5.1891 Q= 0.2117 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -2.8518 3.8368 -5.9939 Q= 0.0352 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -1.2084 4.0196 -5.3358 Q= 0.0352 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -2.6968 3.7558 -3.9518 Q= -0.6546 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -2.5923 2.8015 -3.9477 Q= 0.4275 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -1.8770 6.3104 -6.5317 Q= 0.5973 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -0.6571 6.4855 -6.6974 Q= -0.5679 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -2.7792 6.5651 -7.4710 Q= -0.4157 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -3.7627 6.3918 -7.3195 Q= 0.2719 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -2.3506 6.9807 -8.7903 Q= 0.0337 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -2.6084 5.8813 -9.8311 Q= -0.1825 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -3.6814 5.7149 -9.9264 Q= 0.0603 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -2.1249 4.9579 -9.5123 Q= 0.0603 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -4.9045 7.6247 -8.9730 Q= 0.2719 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -2.6490 10.1418 -4.1394 Q= 0.4275 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 4.6094 8.6462 -7.2410 Q= 0.0603 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 7.1126 8.5470 -6.2609 Q= 0.5973 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 6.5635 7.8910 -5.2501 Q= -0.4157 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 5.8224 8.3067 -4.7042 Q= 0.2719 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 7.1117 6.6149 -4.8118 Q= -0.0518 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 8.0868 6.4571 -5.2725 Q= 0.0922 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 7.2791 6.5894 -3.2947 Q= -0.1102 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 6.5382 7.2747 -2.8829 Q= 0.0457 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 7.2005 5.6254 -2.7920 Q= 0.0457 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 8.6773 7.1628 -3.0792 Q= 0.3531 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 9.2581 7.0460 -3.9941 Q= -0.0361 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 8.5864 8.6251 -2.7255 Q= -0.4121 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 8.0061 8.7427 -1.8103 Q= 0.1000 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 8.0986 9.1659 -3.5364 Q= 0.1000 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 9.4675 6.3672 -2.0718 Q= -0.4121 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 9.5723 5.3400 -2.4209 Q= 0.1000 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 10.4553 6.8119 -1.9509 Q= 0.1000 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 8.9470 6.3736 -1.1141 Q= 0.1000 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 6.3091 5.4270 -5.3178 Q= 0.5973 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 5.0819 5.3816 -5.1809 Q= -0.5679 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 7.0170 4.4775 -5.9280 Q= -0.4157 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 8.0151 4.5913 -6.0327 Q= 0.2719 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 6.3905 3.3106 -6.5247 Q= -0.0389 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 5.3559 3.2326 -6.1904 Q= 0.1007 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 6.4082 3.3563 -8.0702 Q= 0.3654 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 5.9198 4.2756 -8.3935 Q= 0.0043 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 7.8458 3.3180 -8.6214 Q= -0.2438 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 8.3347 2.3987 -8.2988 Q= 0.0642 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 7.8189 3.3517 -9.7105 Q= 0.0642 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 8.4026 4.1762 -8.2454 Q= 0.0642 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 5.6689 2.2490 -8.5864 Q= -0.6761 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 5.6794 2.2767 -9.5459 Q= 0.4102 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 7.0708 2.0559 -6.0118 Q= 0.5973 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 7.8964 2.1320 -5.0992 Q= -0.5679 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 6.7149 0.9054 -6.5831 Q= -0.4157 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 6.0319 0.8996 -7.3271 Q= 0.2719 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 7.2612 -0.3714 -6.1355 Q= -0.0014 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 8.3034 -0.2526 -5.8395 Q= 0.0876 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 6.4679 -0.8748 -4.9346 Q= -0.0152 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 6.5176 -0.1153 -4.1543 Q= 0.0295 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 5.4436 -0.9545 -5.2987 Q= 0.0295 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 6.9077 -2.2099 -4.3683 Q= -0.0011 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 8.1670 -2.3717 -3.8146 Q= -0.1906 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 8.8459 -1.5318 -3.8047 Q= 0.1699 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 8.5605 -3.5856 -3.2796 Q= -0.2341 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 9.5499 -3.7072 -2.8640 Q= 0.1656 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 7.6795 -4.6460 -3.2851 Q= 0.3226 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 8.0560 -5.8555 -2.7514 Q= -0.5579 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 8.9507 -5.8497 -2.4034 Q= 0.3992 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 6.4191 -4.5029 -3.8176 Q= -0.2341 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 5.7293 -5.3339 -3.8214 Q= 0.1656 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 6.0389 -3.2896 -4.3482 Q= -0.1906 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 5.0476 -3.1667 -4.7589 Q= 0.1699 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 7.2141 -1.3940 -7.2766 Q= 0.5973 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 6.3406 -1.3342 -8.1463 Q= -0.5679 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 8.1526 -2.3296 -7.2586 Q= -0.4157 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 8.8133 -2.3604 -6.4953 Q= 0.2719 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 8.3470 -3.2460 -8.3805 Q= -0.0597 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 8.4195 -2.7617 -9.3543 Q= 0.0869 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 9.5865 -4.1350 -8.1554 Q= 0.1303 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 10.4307 -3.5016 -7.8829 Q= 0.0187 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 9.3297 -5.1423 -7.0449 Q= -0.3204 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 8.4859 -5.7764 -7.3169 Q= 0.0882 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 10.2163 -5.7599 -6.9016 Q= 0.0882 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 9.1026 -4.6134 -6.1193 Q= 0.0882 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 10.0457 -4.7648 -9.4752 Q= -0.0430 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 9.2925 -5.4961 -9.7684 Q= 0.0236 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 10.0888 -3.9698 -10.2197 Q= 0.0236 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 7.0935 -4.0813 -8.6824 Q= 0.5973 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 6.9582 -4.6356 -9.7645 Q= -0.5679 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 6.1621 -4.1237 -7.7319 Q= -0.4157 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 6.3505 -3.6954 -6.8368 Q= 0.2719 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 4.8692 -4.7686 -7.9313 Q= -0.0252 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 5.0397 -5.8232 -8.1478 Q= 0.0698 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 4.2920 -4.6758 -7.0113 Q= 0.0698 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 4.0833 -4.1521 -9.0709 Q= 0.5973 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 3.0986 -4.7194 -9.5135 Q= -0.5679 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 4.5111 -2.9776 -9.5309 Q= -0.4157 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 5.2233 -2.4719 -9.0238 Q= 0.2719 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 3.9519 -2.3664 -10.7365 Q= 0.0337 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 2.8641 -2.4101 -10.6825 Q= 0.0823 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 4.3736 -0.9140 -10.8450 Q= -0.1825 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 5.4600 -0.8544 -10.9091 Q= 0.0603 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 4.0316 -0.3692 -9.9651 Q= 0.0603 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 6.1534 -3.5843 -11.1181 Q= 0.2936 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 4.4843 -7.4085 -10.1376 Q= -0.5894 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 4.7838 -10.0653 -6.1751 Q= 0.0342 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 5.2659 -10.6490 -5.3909 Q= 0.0241 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 5.5287 -9.7602 -6.9101 Q= 0.0241 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 4.1492 -8.8488 -5.5732 Q= 0.0018 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 3.5377 -8.3564 -6.3294 Q= 0.0440 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 3.5181 -9.1537 -4.7385 Q= 0.0440 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 5.3898 -7.7047 -4.9846 Q= -0.2737 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 6.7188 -7.9654 -6.1598 Q= -0.0536 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 6.3662 -7.7343 -7.1649 Q= 0.0684 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 7.5573 -7.3148 -5.9110 Q= 0.0684 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 7.0420 -9.0055 -6.1188 Q= 0.0684 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 2.2788 -10.6394 -2.7010 Q= -0.5748 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -0.4025 -10.3320 -1.8623 Q= -0.0249 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -1.4425 -10.5731 -1.6425 Q= 0.0843 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 0.4081 -10.4404 -0.5695 Q= 0.2117 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 1.4616 -10.2751 -0.7955 Q= 0.0352 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 0.0636 -9.6797 0.1310 Q= 0.0352 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -0.5176 -8.8687 -2.2865 Q= 0.5973 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -1.5134 -8.2149 -1.9734 Q= -0.5679 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 0.4855 -8.3531 -2.9903 Q= -0.4157 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 1.2847 -8.9133 -3.2501 Q= 0.2719 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 0.4849 -6.9361 -3.3518 Q= -0.0014 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 0.4340 -6.3297 -2.4474 Q= 0.0876 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 1.7498 -6.5648 -4.1164 Q= -0.0152 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 2.5712 -7.1706 -3.7340 Q= 0.0295 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 1.5661 -6.8198 -5.1601 Q= 0.0295 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 2.1126 -5.1010 -4.0120 Q= -0.0011 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 2.3498 -4.5087 -2.7735 Q= -0.1906 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 2.2576 -5.1118 -1.8824 Q= 0.1699 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 2.7009 -3.1614 -2.6713 Q= -0.2341 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 2.8672 -2.7088 -1.7049 Q= 0.1656 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 2.8198 -2.4026 -3.8199 Q= 0.3226 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 3.1817 -1.0678 -3.7343 Q= -0.5579 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 3.3253 -0.7753 -2.8313 Q= 0.3992 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 2.5917 -2.9820 -5.0602 Q= -0.2341 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 2.6875 -2.3898 -5.9583 Q= 0.1656 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 2.2417 -4.3177 -5.1465 Q= -0.1906 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 2.0636 -4.7680 -6.1119 Q= 0.1699 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -0.7526 -6.6110 -4.1701 Q= 0.5973 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -1.3314 -5.5247 -4.0535 Q= -0.5679 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -1.1390 -7.5649 -5.0097 Q= -0.4157 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -0.4790 -8.2800 -5.2802 Q= 0.2719 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -2.4472 -7.5634 -5.6372 Q= 0.0143 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -2.4546 -8.2315 -6.4984 Q= 0.1048 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -3.4978 -8.0502 -4.6298 Q= -0.2041 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -3.4359 -7.4440 -3.7260 Q= 0.0797 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -4.4858 -7.9364 -5.0761 Q= 0.0797 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -3.3008 -9.5129 -4.2496 Q= 0.7130 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -4.0429 -10.0664 -3.4378 Q= -0.5931 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -2.3018 -10.1451 -4.8436 Q= -0.9191 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -1.7212 -9.6537 -5.5081 Q= 0.4196 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -2.8503 -6.2229 -6.2325 Q= 0.5973 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -2.1458 -5.6749 -7.0698 Q= -0.5679 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -3.9842 -5.6900 -5.7895 Q= -0.4157 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -4.5576 -6.1889 -5.1243 Q= 0.2719 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -4.5107 -4.4595 -6.3711 Q= -0.0389 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -4.6001 -4.5909 -7.4494 Q= 0.1007 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -5.9051 -4.1112 -5.7981 Q= 0.3654 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -5.7878 -3.8067 -4.7581 Q= 0.0043 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -6.5600 -2.9824 -6.5872 Q= -0.2438 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -6.6780 -3.2863 -7.6273 Q= 0.0642 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -7.5382 -2.7603 -6.1609 Q= 0.0642 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -5.9324 -2.0925 -6.5383 Q= 0.0642 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -6.7471 -5.2659 -5.8818 Q= -0.6761 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -7.6143 -5.0560 -5.5276 Q= 0.4102 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -3.5361 -3.2726 -6.2756 Q= 0.5973 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -3.4788 -2.4594 -7.1931 Q= -0.5679 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -2.7548 -3.1802 -5.1997 Q= -0.4157 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -2.8501 -3.8099 -4.4158 Q= 0.2719 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -1.7607 -2.0979 -5.1088 Q= -0.0237 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -2.2708 -1.1411 -5.2211 Q= 0.0880 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -1.0144 -2.1008 -3.7701 Q= 0.0342 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -1.7562 -2.1081 -2.9714 Q= 0.0241 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -0.4179 -3.0117 -3.7195 Q= 0.0241 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -0.0922 -0.8717 -3.6050 Q= 0.0018 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 0.3839 -0.8944 -2.6248 Q= 0.0440 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 0.6736 -0.8760 -4.3806 Q= 0.0440 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -1.0812 0.6408 -3.7523 Q= -0.2737 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -1.6144 0.8252 -2.0526 Q= -0.0536 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -0.7423 0.9262 -1.4066 Q= 0.0684 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -2.2384 1.7142 -1.9615 Q= 0.0684 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -2.1875 -0.0525 -1.7538 Q= 0.0684 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -0.7485 -2.1867 -6.2514 Q= 0.5973 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -0.3394 -1.1686 -6.8128 Q= -0.5679 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -0.3445 -3.4133 -6.5865 Q= -0.4157 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -0.6546 -4.2024 -6.0376 Q= 0.2719 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 0.5322 -3.6636 -7.7201 Q= -0.0252 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 1.5122 -3.2325 -7.5153 Q= 0.0698 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 0.6319 -4.7395 -7.8634 Q= 0.0698 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -0.0215 -3.0479 -8.9853 Q= 0.5973 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 0.7055 -2.3867 -9.7247 Q= -0.5679 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -1.3177 -3.2545 -9.2295 Q= -0.4157 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -1.8599 -3.8377 -8.6082 Q= 0.2719 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -1.9781 -2.6947 -10.4064 Q= -0.0875 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -1.4175 -2.9159 -11.3147 Q= 0.0969 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -3.4145 -3.2329 -10.5704 Q= 0.2985 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -4.0050 -2.9341 -9.7043 Q= -0.0297 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -4.0550 -2.6762 -11.8391 Q= -0.3192 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -5.0677 -3.0673 -11.9371 Q= 0.0791 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -4.0902 -1.5883 -11.7817 Q= 0.0791 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -3.4097 -4.7425 -10.5989 Q= -0.3192 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -2.9924 -5.1228 -9.6666 Q= 0.0791 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -4.4302 -5.1074 -10.7151 Q= 0.0791 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -2.0277 -1.1710 -10.3476 Q= 0.5973 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -1.7722 -0.4891 -11.3417 Q= -0.5679 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -2.3741 -0.6380 -9.1806 Q= -0.4157 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -2.6395 -1.2311 -8.4074 Q= 0.2719 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -2.4515 0.8107 -9.0011 Q= 0.0337 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -3.1005 1.2233 -9.7734 Q= 0.0823 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -3.0385 1.1472 -7.6441 Q= -0.1825 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -2.3948 0.7484 -6.8601 Q= 0.0603 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -3.1119 2.2295 -7.5377 Q= 0.0603 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -4.0314 0.7060 -7.5577 Q= 0.0603 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -1.0705 1.4594 -9.1726 Q= 0.5973 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -0.9538 2.5723 -9.6979 Q= -0.5679 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -0.0321 0.7646 -8.7268 Q= -0.3479 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -0.1695 -0.0675 -8.1710 Q= 0.2747 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 1.3365 1.2424 -8.9347 Q= -0.2400 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 1.4080 2.2838 -8.6211 Q= 0.1426 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 2.3398 0.4199 -8.1286 Q= -0.0094 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 2.1562 -0.6320 -8.3474 Q= 0.0362 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 3.3390 0.6922 -8.4685 Q= 0.0362 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 2.2336 0.6524 -6.6235 Q= 0.0187 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 1.2783 0.2518 -6.2844 Q= 0.0103 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 3.0464 0.1122 -6.1381 Q= 0.0103 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 2.3205 2.1294 -6.2641 Q= -0.0479 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 3.0994 2.5961 -6.8670 Q= 0.0621 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 1.3628 2.6037 -6.4782 Q= 0.0621 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 2.6534 2.3000 -4.7804 Q= -0.0143 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 1.8389 1.8496 -4.2131 Q= 0.1135 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 3.5751 1.7497 -4.5912 Q= 0.1135 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 2.8271 3.7206 -4.3582 Q= -0.3854 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 1.9730 4.2306 -4.5331 Q= 0.3400 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 3.0437 3.7547 -3.3723 Q= 0.3400 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 3.5820 4.1381 -4.8835 Q= 0.3400 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 1.7184 1.2700 -10.4153 Q= 0.7341 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 2.4225 2.1624 -10.8490 Q= -0.5894 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 1.2247 0.3155 -11.1991 Q= -0.4157 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 0.7120 -0.4680 -10.8203 Q= 0.2719 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -2.4448 2.8722 -11.4378 Q= 0.0352 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 1.2581 5.3153 -9.6505 Q= -0.1102 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 0.3474 5.5560 -9.1020 Q= 0.0457 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 1.5403 4.2818 -9.4494 Q= 0.0457 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 2.3837 6.2468 -9.2022 Q= 0.3531 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 2.9669 5.7830 -7.8701 Q= -0.4121 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 3.3660 4.7746 -7.9790 Q= 0.1000 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 3.7668 6.4591 -7.5680 Q= 0.1000 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 2.1851 5.7837 -7.1106 Q= 0.1000 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 6.7164 1.4946 -10.8667 Q= -0.8188 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 10.0685 4.7922 -6.0355 Q= -0.5679 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 11.0520 2.4678 -7.0316 Q= -0.0249 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 10.0045 2.5487 -6.7414 Q= 0.0843 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 11.1539 1.5356 -8.2448 Q= 0.2117 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 10.8668 2.0940 -9.1358 Q= 0.0352 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 12.1879 1.2047 -8.3415 Q= 0.0352 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 10.3092 0.4082 -8.1023 Q= -0.6546 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 10.3945 -0.1552 -8.8750 Q= 0.4275 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 11.8290 1.9074 -5.8474 Q= 0.5973 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 12.9356 1.4156 -6.0097 Q= -0.5679 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 11.2494 1.9998 -4.6542 Q= -0.4157 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 10.3212 2.3885 -4.5677 Q= 0.2719 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 11.9537 1.6104 -3.4350 Q= 0.0337 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 13.0144 1.8119 -3.5851 Q= 0.0823 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 11.4596 2.4434 -2.2416 Q= -0.1825 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 10.4011 2.2454 -2.0731 Q= 0.0603 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 12.0256 2.1733 -1.3501 Q= 0.0603 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 11.6012 3.5030 -2.4541 Q= 0.0603 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 11.8048 0.1275 -3.1288 Q= 0.5973 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 10.7554 -0.4561 -3.3668 Q= -0.5679 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 12.8527 -0.4747 -2.5829 Q= -0.4157 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 13.7424 -0.0008 -2.5197 Q= 0.2719 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 12.7543 -1.8249 -2.0624 Q= -0.0252 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 12.2643 -2.4752 -2.7870 Q= 0.0698 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 13.7460 -2.2165 -1.8358 Q= 0.0698 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 11.9327 -1.7971 -0.7902 Q= 0.5973 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 11.6366 -0.7235 -0.2684 Q= -0.5679 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 11.5599 -2.9737 -0.2745 Q= -0.2548 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 11.8868 -4.3260 -0.7535 Q= 0.0192 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 12.9190 -4.3547 -1.1026 Q= 0.0391 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 11.2196 -4.5996 -1.5709 Q= 0.0391 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 11.6691 -5.1655 0.4659 Q= 0.0189 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 12.5838 -5.2001 1.0577 Q= 0.0213 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 11.3888 -6.1769 0.1717 Q= 0.0213 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 10.5639 -4.5036 1.2115 Q= -0.0070 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 10.7065 -4.7081 2.2727 Q= 0.0253 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 9.5646 -4.8197 0.9122 Q= 0.0253 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 10.7416 -3.0042 0.9411 Q= -0.0266 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 9.8053 -2.4833 0.7406 Q= 0.0641 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 11.4539 -2.3354 2.1111 Q= 0.5896 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 12.6296 -2.6027 2.3551 Q= -0.5748 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 10.7436 -1.4553 2.8094 Q= -0.4157 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 9.8217 -1.1899 2.4935 Q= 0.2719 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 11.2570 -0.8482 4.0332 Q= -0.0597 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 12.1222 -1.4084 4.3878 Q= 0.0869 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 11.6483 0.6121 3.8230 Q= 0.1303 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 10.7828 1.1617 3.4531 Q= 0.0187 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 12.1228 1.2337 5.1394 Q= -0.3204 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 12.9887 0.6848 5.5097 Q= 0.0882 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 12.3979 2.2750 4.9718 Q= 0.0882 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 11.3202 1.1844 5.8752 Q= 0.0882 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 12.7442 0.7167 2.7696 Q= -0.0430 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 13.6608 0.3194 3.2056 Q= 0.0236 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 12.4480 0.0986 1.9220 Q= 0.0236 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 12.9818 2.1274 2.3025 Q= -0.0660 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 13.2785 2.7460 3.1495 Q= 0.0186 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 13.7734 2.1341 1.5533 Q= 0.0186 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 12.0657 2.5252 1.8659 Q= 0.0186 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 10.1786 -0.9159 5.0989 Q= 0.5973 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 8.9897 -0.7630 4.8009 Q= -0.5679 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 10.5913 -1.1515 6.3374 Q= -0.3479 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 11.5770 -1.2394 6.5391 Q= 0.2747 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 9.6413 -1.3789 7.4197 Q= -0.2400 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 8.8219 -2.0089 7.0735 Q= 0.1426 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 10.3395 -2.0815 8.5829 Q= -0.0094 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 10.9996 -2.8336 8.1508 Q= 0.0362 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 10.9356 -1.3285 9.0983 Q= 0.0362 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 9.4021 -2.7404 9.5662 Q= 0.0187 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 8.7837 -1.9775 10.0391 Q= 0.0103 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 8.7641 -3.4471 9.0356 Q= 0.0103 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 10.1980 -3.4772 10.6295 Q= -0.0479 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 10.3613 -4.5022 10.2966 Q= 0.0621 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 11.1594 -2.9789 10.7547 Q= 0.0621 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 8.0567 -3.9697 11.8002 Q= -0.3854 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 8.0643 -4.9100 11.4315 Q= 0.3400 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 7.5616 -3.3622 11.1631 Q= 0.3400 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 8.9783 -0.0779 7.8711 Q= 0.7341 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 9.5203 0.6602 8.6977 Q= -0.5894 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 7.8061 0.2026 7.3125 Q= -0.4157 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 7.4251 -0.4126 6.6079 Q= 0.2719 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 7.0665 1.4134 7.6456 Q= -0.0389 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 7.5969 1.9611 8.4246 Q= 0.1007 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 6.9233 2.3271 6.4110 Q= 0.3654 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 6.4976 3.2818 6.7199 Q= 0.0043 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 8.2863 2.5624 5.7708 Q= -0.2438 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 8.7125 1.6081 5.4612 Q= 0.0642 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 8.1729 3.2086 4.9004 Q= 0.0642 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 8.9498 3.0389 6.4925 Q= 0.0642 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 6.0608 1.7090 5.4510 Q= -0.6761 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 5.9740 2.2802 4.6843 Q= 0.4102 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 5.6912 1.0386 8.2057 Q= 0.5973 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 5.3498 -0.1396 8.2568 Q= -0.5679 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 4.9069 2.0246 8.6379 Q= -0.4157 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 5.2374 2.9783 8.6737 Q= 0.2719 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 3.5690 1.7337 9.1564 Q= -0.0518 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 3.6490 1.0209 9.9771 Q= 0.0922 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 2.8747 3.0021 9.6738 Q= -0.1102 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 3.0648 3.7090 8.8662 Q= 0.0457 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 1.8036 2.8129 9.7457 Q= 0.0457 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 3.3806 3.5918 11.0001 Q= 0.3531 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 4.4704 3.6018 10.9855 Q= -0.0361 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 2.8605 5.0164 11.2005 Q= -0.4121 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 1.7706 5.0071 11.2157 Q= 0.1000 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 3.2066 5.6485 10.3828 Q= 0.1000 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 3.0197 2.7035 12.1898 Q= -0.4121 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 3.4701 1.7196 12.0590 Q= 0.1000 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 2.7010 1.0433 8.1077 Q= 0.5973 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 1.9682 0.1029 8.4113 Q= -0.5679 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 2.7799 1.5185 6.8713 Q= -0.4157 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 3.3561 2.3247 6.6758 Q= 0.2719 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 1.9988 0.9442 5.7788 Q= 0.0337 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 0.9451 0.9614 6.0573 Q= 0.0823 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 2.1801 1.7654 4.5110 Q= -0.1825 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 3.2288 1.7501 4.2144 Q= 0.0603 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 1.5710 1.3413 3.7126 Q= 0.0603 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 1.8704 2.7939 4.6962 Q= 0.0603 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 2.3812 -0.5119 5.5297 Q= 0.5973 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 1.5249 -1.3425 5.2255 Q= -0.5679 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 3.6697 -0.8187 5.6571 Q= -0.4157 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 4.3464 -0.0957 5.8554 Q= 0.2719 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 4.1542 -2.1781 5.4342 Q= 0.0337 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 3.9970 -2.4129 4.3815 Q= 0.0823 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 5.6292 -2.2643 5.7320 Q= -0.1825 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 5.8015 -2.0406 6.7848 Q= 0.0603 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 5.9867 -3.2702 5.5116 Q= 0.0603 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 6.1675 -1.5446 5.1153 Q= 0.0603 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 3.3801 -3.2148 6.2547 Q= 0.5973 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 3.3853 -4.4042 5.9359 Q= -0.5679 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 2.7160 -2.7590 7.3117 Q= -0.4157 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 2.7931 -1.7878 7.5781 Q= 0.2719 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 1.9053 -3.6414 8.1427 Q= -0.0249 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 2.5048 -4.4878 8.4778 Q= 0.0843 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 1.3876 -2.8902 9.3735 Q= 0.2117 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 0.8094 -2.0280 9.0413 Q= 0.0352 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 0.7458 -3.5579 9.9482 Q= 0.0352 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 2.4640 -2.4522 10.1879 Q= -0.6546 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 2.1178 -1.9850 10.9518 Q= 0.4275 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 0.7315 -4.2192 7.3530 Q= 0.5973 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 0.3163 -5.3553 7.5775 Q= -0.5679 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 0.2063 -3.4291 6.4228 Q= -0.4157 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 0.6031 -2.5150 6.2583 Q= 0.2719 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -0.9305 -3.8374 5.6252 Q= -0.0252 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -1.6750 -4.2760 6.2897 Q= 0.0698 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -1.3485 -2.9518 5.1464 Q= 0.0698 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -0.5655 -4.8479 4.5590 Q= 0.5973 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -1.4370 -5.3535 3.8525 Q= -0.5679 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 0.7244 -5.1351 4.4367 Q= -0.4157 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 1.4055 -4.6304 4.9856 Q= 0.2719 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 1.2036 -6.1326 3.4875 Q= -0.0597 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 0.4435 -6.3392 2.7340 Q= 0.0869 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 2.5024 -5.6695 2.7942 Q= 0.1303 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 3.2497 -5.4538 3.5577 Q= 0.0187 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 3.0298 -6.7420 1.8594 Q= -0.3204 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 2.2832 -6.9580 1.0953 Q= 0.0882 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 3.9454 -6.3913 1.3832 Q= 0.0882 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 3.2404 -7.6482 2.4274 Q= 0.0882 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 2.2580 -4.3705 2.0261 Q= -0.0430 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 2.0930 -3.5836 2.7620 Q= 0.0236 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 3.1629 -4.1529 1.4588 Q= 0.0236 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 1.0752 -4.4354 1.0835 Q= -0.0660 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 0.1698 -4.6526 1.6502 Q= 0.0186 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 0.9633 -3.4785 0.5737 Q= 0.0186 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 1.2397 -5.2219 0.3470 Q= 0.0186 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 1.4312 -7.4597 4.2091 Q= 0.5973 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 2.3840 -7.6096 4.9751 Q= -0.5679 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 0.5445 -8.4189 3.9660 Q= -0.4157 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -0.1981 -8.2664 3.2985 Q= 0.2719 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 0.5423 -9.6631 4.7324 Q= -0.0249 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 0.4333 -9.4405 5.7938 Q= 0.0843 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -0.6195 -10.5647 4.2990 Q= 0.2117 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -1.5378 -10.1928 4.7533 Q= 0.0352 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -0.7603 -10.5740 2.8909 Q= -0.6546 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -1.4927 -11.1444 2.6464 Q= 0.4275 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 1.8759 -10.4071 4.6621 Q= 0.5973 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 2.3391 -10.9720 5.6524 Q= -0.5679 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 2.5015 -10.3873 3.4957 Q= -0.4157 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 2.1000 -9.9128 2.6996 Q= 0.2719 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 3.7609 -11.0833 3.3178 Q= 0.0143 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 3.9166 -11.7908 4.1322 Q= 0.1048 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 3.7463 -11.8546 1.9960 Q= -0.2041 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 4.6743 -12.4214 1.9205 Q= 0.0797 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 3.6383 -10.9330 0.7854 Q= 0.7130 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 4.1830 -11.2225 -0.2821 Q= -0.5931 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 2.9418 -9.8074 0.9549 Q= -0.9191 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 2.8382 -9.1606 0.1861 Q= 0.4196 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 2.5213 -9.6075 1.8512 Q= 0.4196 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 4.9545 -10.1355 3.3358 Q= 0.5973 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 5.9043 -10.3201 2.5796 Q= -0.5679 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 4.9237 -9.1230 4.1907 Q= -0.4157 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 4.1367 -8.9556 4.8013 Q= 0.2719 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 5.9901 -8.1321 4.1517 Q= -0.0024 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 6.2302 -7.9150 3.1109 Q= 0.0978 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 5.6021 -6.8311 4.8437 Q= -0.0343 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 4.7325 -6.4190 4.3317 Q= 0.0295 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 5.3728 -6.9609 5.9013 Q= 0.0295 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 6.6697 -5.8015 4.7637 Q= 0.0118 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 6.8080 -5.0272 3.6303 Q= -0.1256 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 6.1190 -5.1583 2.8090 Q= 0.1330 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 7.8090 -4.0983 3.5421 Q= -0.1704 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 7.9005 -3.4859 2.6572 Q= 0.1430 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 8.6977 -3.9446 4.5789 Q= -0.1072 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 9.4915 -3.2157 4.5083 Q= 0.1297 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 8.5751 -4.7198 5.7068 Q= -0.1704 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 9.2681 -4.5979 6.5261 Q= 0.1430 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 7.5728 -5.6477 5.7907 Q= -0.1256 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 7.4843 -6.2690 6.6697 Q= 0.1330 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 7.3387 -8.6187 4.6816 Q= 0.5973 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 8.3725 -8.3563 4.0713 Q= -0.5679 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 7.3380 -9.3059 5.8186 Q= -0.3479 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 6.4835 -9.4439 6.3390 Q= 0.2747 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 8.5814 -9.8258 6.3793 Q= -0.2400 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 9.3000 -9.0137 6.4893 Q= 0.1426 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 7.2814 -10.3436 7.9806 Q= 0.0362 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 9.3076 -8.7718 8.6340 Q= 0.0103 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 9.1858 -10.8336 5.4124 Q= 0.7341 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 10.4016 -11.0309 5.3641 Q= -0.5894 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 8.3191 -11.4651 4.6305 Q= -0.3479 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 7.3258 -11.3908 4.7978 Q= 0.2747 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 8.7723 -12.3287 3.5596 Q= -0.2400 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 7.0086 -12.2813 2.3669 Q= 0.0362 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 9.5627 -11.5022 2.5466 Q= 0.7341 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 10.7321 -11.7881 2.2761 Q= -0.5894 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 8.9316 -10.4689 1.9967 Q= -0.4157 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 7.9748 -10.2535 2.2378 Q= 0.2719 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 9.5837 -9.6639 0.9728 Q= -0.0237 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 9.8381 -10.2961 0.1221 Q= 0.0880 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 8.6717 -8.5386 0.4891 Q= 0.0342 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 8.3232 -8.0085 1.3754 Q= 0.0241 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 9.2847 -7.8703 -0.1157 Q= 0.0241 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 7.4809 -9.0024 -0.3218 Q= 0.0018 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 7.8301 -9.3487 -1.2946 Q= 0.0440 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 6.9956 -9.8251 0.2034 Q= 0.0440 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 6.2900 -7.6649 -0.5598 Q= -0.2737 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 4.9622 -8.5107 -1.4067 Q= -0.0536 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 4.5838 -9.3161 -0.7773 Q= 0.0684 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 4.1576 -7.8060 -1.6170 Q= 0.0684 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 5.3344 -8.9264 -2.3431 Q= 0.0684 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 10.9056 -9.0906 1.4708 Q= 0.5973 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 11.9104 -9.1434 0.7704 Q= -0.5679 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 10.9011 -8.5563 2.6856 Q= -0.4157 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 10.0549 -8.5655 3.2370 Q= 0.2719 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 12.0803 -7.9010 3.2397 Q= -0.0518 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 12.3921 -7.0821 2.5915 Q= 0.0922 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 11.7616 -7.3349 4.6230 Q= -0.1102 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 10.8202 -6.8072 4.4698 Q= 0.0457 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 11.5972 -8.1860 5.2838 Q= 0.0457 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 12.7773 -6.3888 5.2560 Q= 0.3531 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 13.7684 -6.8371 5.1856 Q= -0.0361 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 12.7776 -5.0434 4.5433 Q= -0.4121 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 11.7869 -4.5941 4.6137 Q= 0.1000 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 13.5090 -4.3841 5.0107 Q= 0.1000 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 13.0370 -5.1873 3.4944 Q= 0.1000 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 12.4615 -6.2129 6.7283 Q= -0.4121 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 12.5078 -7.1802 7.2285 Q= 0.1000 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 13.1884 -5.5366 7.1781 Q= 0.1000 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 11.4608 -5.7951 6.8384 Q= 0.1000 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 13.2679 -8.8570 3.3288 Q= 0.5973 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 14.3849 -8.5151 2.9435 Q= -0.5679 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 13.0281 -10.0555 3.8491 Q= -0.5163 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 12.1051 -10.3014 4.1772 Q= 0.2936 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 12.1657 -11.3879 -0.5246 Q= 0.0295 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 11.8816 -11.4672 -2.8193 Q= 0.1699 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 13.5909 -9.6394 0.2491 Q= 0.2719 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 14.6557 -7.4925 -0.6150 Q= -0.2041 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 14.0730 -7.4906 0.3061 Q= 0.0797 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 15.4729 -6.7763 -0.5289 Q= 0.0797 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 13.7604 -7.0679 -1.7528 Q= 0.7130 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 14.0524 -6.1016 -2.4554 Q= -0.5931 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 12.6701 -7.8029 -1.9573 Q= -0.9191 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 12.0361 -7.5628 -2.7060 Q= 0.4196 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 12.4817 -8.5975 -1.3630 Q= 0.4196 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 16.0410 -3.4568 3.6421 Q= 0.0797 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 15.6781 -6.0251 2.9776 Q= -0.5931 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 16.5349 -2.0789 1.2209 Q= 0.2719 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 15.3952 0.0108 0.2779 Q= -0.3192 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 14.8933 0.4282 1.1508 Q= 0.0791 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 14.9611 0.4349 -0.6276 Q= 0.0791 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 15.2673 -1.0717 0.2690 Q= 0.0791 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 12.1745 5.0329 4.4157 Q= 0.0882 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 13.2925 3.9447 -0.1868 Q= 0.0791 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 15.8363 -1.3633 -2.9655 Q= 0.0880 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 15.3256 -2.0993 -4.9028 Q= -0.0303 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 15.0325 -3.0742 -4.5131 Q= -0.0122 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 14.4511 -1.4504 -4.9518 Q= -0.0122 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 12.6046 -9.1724 -5.7692 Q= 0.3226 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 12.4527 -7.9833 -6.4446 Q= -0.2341 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 11.5604 -7.7981 -7.0241 Q= 0.1656 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 13.4423 -7.0283 -6.3802 Q= -0.1906 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 13.3239 -6.0918 -6.9049 Q= 0.1699 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 3.7181 5.2775 5.4909 Q= 0.9427 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 2.5871 4.5222 6.0898 Q= -0.7304 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 4.7019 5.9166 6.3434 Q= -0.7304 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 3.1955 6.4550 4.5418 Q= -0.3568 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 1.9896 6.2404 3.7573 Q= -0.0067 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 1.3670 7.6320 3.6390 Q= 0.0794 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 0.2243 7.5951 2.7205 Q= -0.3928 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 0.8194 8.0453 5.0239 Q= 0.1170 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 1.4938 9.1654 5.5817 Q= -0.6429 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -0.6548 8.3304 4.7735 Q= 0.1030 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -0.9815 9.4536 5.6032 Q= -0.6322 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -0.6619 8.5521 3.2690 Q= 0.0613 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -2.0241 8.4004 2.7966 Q= 0.0178 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -2.8131 7.3082 2.7069 Q= 0.0624 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -4.0163 7.6430 2.2161 Q= -0.6361 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -3.9205 8.9804 2.0202 Q= 0.1458 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -4.9088 9.8714 1.5110 Q= 0.6473 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -6.0965 9.4338 1.1648 Q= -0.8681 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -4.5942 11.2068 1.3925 Q= -0.7590 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -3.3550 11.6574 1.7598 Q= 0.5320 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -2.4018 10.8225 2.2448 Q= -0.7532 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -2.6803 9.4698 2.3804 Q= 0.4103 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 4.3857 4.2546 4.4450 Q= -0.4180 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 5.5062 4.3644 3.3271 Q= 1.2778 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 5.8778 3.0026 3.0597 Q= -0.8075 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 6.5557 5.3294 3.7857 Q= -0.8075 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 4.7541 4.8653 2.0151 Q= -0.5906 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 5.1865 5.9938 1.2829 Q= 0.0309 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 5.0199 5.6996 -0.1824 Q= 0.0992 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 6.0876 4.8546 -0.6295 Q= -0.3692 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 3.7985 4.9390 -0.6962 Q= 0.1382 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 3.4603 5.3962 -2.0313 Q= -0.6826 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 4.2205 3.4934 -0.8131 Q= 0.1244 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 3.3621 2.7145 -1.6824 Q= -0.6417 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 5.5723 3.6775 -1.3347 Q= 0.0281 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 6.4838 2.5327 -1.1814 Q= 0.0974 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 6.7808 1.9824 0.1290 Q= -0.0159 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 7.6743 0.8776 0.2284 Q= -0.0460 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 7.9006 0.1741 1.5828 Q= 0.6456 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 8.4733 -0.9194 1.5683 Q= -0.5505 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 7.4820 0.7507 2.7302 Q= -0.7879 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 8.2504 0.3550 -0.9599 Q= -0.0362 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 7.9605 0.8960 -2.2246 Q= -0.1304 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 7.0915 1.9729 -2.3406 Q= 0.0862 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 1.2480 5.5316 4.1255 Q= 0.0577 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 2.3070 5.9294 2.7620 Q= 0.0577 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 1.9180 8.4837 3.2403 Q= 0.1639 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 0.9276 7.1862 5.6860 Q= 0.1470 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 1.0726 9.3918 6.4141 Q= 0.4461 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -1.4028 7.5727 5.0067 Q= 0.0583 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -1.9041 9.6784 5.4623 Q= 0.4094 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -0.2693 9.4854 2.8653 Q= 0.1690 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -2.5238 6.3099 3.0000 Q= 0.2229 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -6.3161 8.4516 1.2504 Q= 0.3909 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -6.7857 10.0782 0.8045 Q= 0.3909 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 6.2375 6.1949 1.4905 Q= 0.1103 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 4.6065 6.8851 1.5221 Q= 0.1103 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 5.1059 6.6952 -0.6177 Q= 0.0794 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 2.9691 5.0373 0.0041 Q= 0.1238 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 2.7186 4.8779 -2.3520 Q= 0.4471 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 4.2869 3.1258 0.2109 Q= 0.1682 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 3.7037 1.8184 -1.7244 Q= 0.4304 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 5.5132 3.9553 -2.3871 Q= 0.1791 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 6.3334 2.3993 1.0313 Q= 0.1480 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 7.7992 1.7091 2.7607 Q= 0.3797 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 7.8613 0.2455 3.5182 Q= 0.3797 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 8.9348 -0.4891 -0.8754 Q= 0.1876 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 8.4156 0.4735 -3.1204 Q= 0.1833 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 6.8590 2.4078 -3.3127 Q= 0.2272 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -2.7572 2.9697 11.6591 Q= -0.8340 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -3.6455 3.3112 11.5568 Q= 0.4170 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -2.4733 2.7698 10.7671 Q= 0.4170 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -5.0807 3.4880 7.8151 Q= -0.8340 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -5.1633 4.4311 7.9564 Q= 0.4170 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -5.4324 3.3458 6.9363 Q= 0.4170 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -5.1288 3.7929 10.8272 Q= -0.8340 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -4.6450 4.0641 10.0471 Q= 0.4170 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -2.5861 2.8494 8.7366 Q= -0.8340 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -1.8771 2.4277 8.2512 Q= 0.4170 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -3.3020 2.9169 8.1048 Q= 0.4170 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -2.9387 -1.0966 7.7769 Q= -0.8340 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -2.2158 -0.5558 8.0948 Q= 0.4170 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -2.6661 -1.3702 6.9011 Q= 0.4170 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -3.5140 -1.0573 11.3705 Q= -0.8340 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -2.7562 -0.9442 10.7968 Q= 0.4170 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -3.9761 -0.2203 11.3246 Q= 0.4170 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= 4.6101 -7.5663 9.9588 Q= 0.4170 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -1.8787 -8.3593 8.3356 Q= -0.8340 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -1.4411 -7.8166 8.9914 Q= 0.4170 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -3.0558 -4.5890 10.6086 Q= 0.4170 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -10.1680 1.3771 9.1065 Q= -0.8340 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -9.7495 1.1900 8.2662 Q= 0.4170 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -10.4743 0.5249 9.4166 Q= 0.4170 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -5.5123 1.0105 10.4441 Q= -0.8340 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -6.3071 0.9453 10.9734 Q= 0.4170 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -5.3082 1.9457 10.4328 Q= 0.4170 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -14.4192 2.0568 2.8534 Q= -0.8340 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -14.8814 2.2649 3.6654 Q= 0.4170 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -14.8215 1.2427 2.5507 Q= 0.4170 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -12.3238 4.7778 6.0830 Q= -0.8340 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -11.9982 3.9443 5.7432 Q= 0.4170 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -11.5356 5.3005 6.2307 Q= 0.4170 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -14.8792 4.7988 1.9710 Q= -0.8340 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -14.3806 5.2732 2.6363 Q= 0.4170 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -14.7368 3.8752 2.1782 Q= 0.4170 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -9.8375 5.7236 6.3698 Q= -0.8340 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -9.2553 4.9689 6.2816 Q= 0.4170 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -9.6611 6.2542 5.5929 Q= 0.4170 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -15.9541 -0.5594 1.7142 Q= -0.8340 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -16.4026 -0.5371 0.8689 Q= 0.4170 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -13.2118 6.0676 3.7192 Q= -0.8340 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -13.0919 5.4717 4.4586 Q= 0.4170 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -12.3523 6.1045 3.2995 Q= 0.4170 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -11.6255 2.2264 5.2101 Q= -0.8340 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -12.3139 1.5644 5.1452 Q= 0.4170 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -10.9051 1.7800 5.6550 Q= 0.4170 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -8.8402 0.6623 6.4417 Q= -0.8340 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -7.9631 0.6705 6.8249 Q= 0.4170 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -8.8279 -0.0746 5.8309 Q= 0.4170 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -14.7582 -0.4993 5.1693 Q= -0.8340 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -13.8181 -0.6065 5.0245 Q= 0.4170 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -12.1207 -0.8423 4.8085 Q= -0.8340 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -11.5065 -0.5244 4.1467 Q= 0.4170 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -11.5756 -1.3273 5.4280 Q= 0.4170 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -6.0731 -7.4599 8.1505 Q= -0.8340 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -5.8961 -6.5694 7.8472 Q= 0.4170 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -14.8412 -2.8979 3.7099 Q= -0.8340 A= 0.0000 R= 0.0000 C= 0.0000 XYZ= -14.9156 -1.9944 4.0171 Q= 0.4170 A= 0.0000 R= 0.0000 C= 0.0000 Pt Chg Charge= -3.3680 electrons Pt Chg Dipole moment (Debye): X= 63.6220 Y= -15.5934 Z= 14.0839 Tot= 67.0020 Pt Chg Quadrupole moment (Debye-Ang): XX= -1607.5189 YY= -695.8762 ZZ= -1177.6946 XY= 260.9304 XZ= 217.5776 YZ= -405.1159 Pt Chg Traceless Quadrupole moment (Debye-Ang): XX= -447.1556 YY= 464.4870 ZZ= -17.3314 XY= 260.9304 XZ= 217.5776 YZ= -405.1159 Pt Chg Octapole moment (Debye-Ang**2): XXX= 15348.6700 YYY= 2898.4759 ZZZ= 7952.5147 XYY= -2985.4633 XXY= -2550.6209 XXZ= -3572.8103 XZZ= 810.0348 YZZ= -4990.1587 YYZ= -5120.4272 XYZ= -3061.0600 Pt Chg Hexadecapole moment (Debye-Ang**3): XXXX= -384645.9901 YYYY= -42151.4624 ZZZZ= -148529.3389 XXXY= 121292.6124 XXXZ= 42224.3833 YYYX= 7155.5035 YYYZ= -21128.6552 ZZZX= 41032.0763 ZZZY= -64719.7839 XXYY= -46775.0796 XXZZ= -11161.9882 YYZZ= -26815.1798 XXYZ= 59985.2310 YYXZ= -5935.6166 ZZXY= 14313.9497 Leave Link 101 at Fri Apr 28 12:25:05 2017, MaxMem= 33554432 cpu: 0.5 (Enter /opt/gaussian/09.D.01/g09/l103.exe) GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Initialization pass. Trust Radius=3.00D-01 FncErr=1.00D-07 GrdErr=1.00D-07 Number of steps in this run= 2 maximum allowed number of steps= 2. GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Leave Link 103 at Fri Apr 28 12:25:05 2017, MaxMem= 33554432 cpu: 0.0 (Enter /opt/gaussian/09.D.01/g09/l202.exe) --------------------------------------------------------------------------------------------------- Z-MATRIX (ANGSTROMS AND DEGREES) CD Cent Atom N1 Length/X N2 Alpha/Y N3 Beta/Z J --------------------------------------------------------------------------------------------------- 1 1 N 0 -4.975655 1.262897 -0.465821 2 2 H 0 -4.489661 1.017113 0.384767 3 3 C 0 -5.975017 0.340258 -0.979982 4 4 H 0 -6.791720 0.832418 -1.508067 5 5 C 0 -5.340988 -0.701835 -1.917147 6 6 H 0 -4.527253 -1.209541 -1.399295 7 7 H 0 -6.094594 -1.431907 -2.212398 8 8 H 0 -4.951207 -0.203530 -2.804763 9 9 C 0 -6.566457 -0.338304 0.240061 10 10 O 0 -5.864277 -0.519640 1.245227 11 11 C 0 5.118151 -1.540128 -0.865771 12 12 C 0 5.724488 -2.204796 0.248242 13 13 C 0 4.212161 -0.453611 -0.639586 14 14 C 0 3.920632 -0.039079 0.672911 15 15 C 0 4.521982 -0.697831 1.794406 16 16 C 0 5.422558 -1.783406 1.569196 17 17 C 0 -1.069282 0.327237 1.592136 18 18 C 0 -0.556955 1.672906 1.691109 19 19 C 0 0.821634 1.887508 1.440448 20 20 C 0 1.676271 0.769013 1.096371 21 21 C 0 -0.238548 -0.772796 1.255758 22 22 C 0 1.133680 -0.564618 1.005944 23 23 O 0 3.028453 1.030413 0.859971 24 24 Cl 0 6.791720 -3.484483 0.002809 25 25 Cl 0 -2.703919 0.071522 1.890626 26 26 Cl 0 1.439760 3.484483 1.556790 27 27 O 0 3.608420 0.209489 -1.669429 28 28 H 0 -0.660230 -1.772574 1.190973 29 29 H 0 5.345741 -1.860373 -1.879287 30 30 H 0 4.291054 -0.370080 2.804763 31 31 H 0 5.877849 -2.287886 2.417595 32 32 H 0 -1.224312 2.490236 1.952211 33 33 H 0 1.781331 -1.398208 0.746627 34 34 H 0 3.033972 0.910167 -1.312028 35 35 H 0 -4.737705 2.205455 -0.958837 36 36 H 0 -7.611550 -0.641836 0.178825 --------------------------------------------------------------------------------------------------- Z-Matrix orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 7 0 -4.975655 1.262897 -0.465821 2 1 0 -4.489661 1.017113 0.384767 3 6 0 -5.975017 0.340258 -0.979982 4 1 0 -6.791720 0.832418 -1.508067 5 6 0 -5.340988 -0.701835 -1.917147 6 1 0 -4.527253 -1.209541 -1.399295 7 1 0 -6.094594 -1.431907 -2.212398 8 1 0 -4.951207 -0.203530 -2.804763 9 6 0 -6.566457 -0.338304 0.240061 10 8 0 -5.864277 -0.519640 1.245227 11 6 0 5.118151 -1.540128 -0.865771 12 6 0 5.724488 -2.204796 0.248242 13 6 0 4.212161 -0.453611 -0.639586 14 6 0 3.920632 -0.039079 0.672911 15 6 0 4.521982 -0.697831 1.794406 16 6 0 5.422558 -1.783406 1.569196 17 6 0 -1.069282 0.327237 1.592136 18 6 0 -0.556955 1.672906 1.691109 19 6 0 0.821634 1.887508 1.440448 20 6 0 1.676271 0.769013 1.096371 21 6 0 -0.238548 -0.772796 1.255758 22 6 0 1.133680 -0.564618 1.005944 23 8 0 3.028453 1.030413 0.859971 24 17 0 6.791720 -3.484483 0.002809 25 17 0 -2.703919 0.071522 1.890626 26 17 0 1.439760 3.484483 1.556790 27 8 0 3.608420 0.209489 -1.669429 28 1 0 -0.660230 -1.772574 1.190973 29 1 0 5.345741 -1.860373 -1.879287 30 1 0 4.291054 -0.370080 2.804763 31 1 0 5.877849 -2.287886 2.417595 32 1 0 -1.224312 2.490236 1.952211 33 1 0 1.781331 -1.398208 0.746627 34 1 0 3.033972 0.910167 -1.312028 35 1 0 -4.737705 2.205455 -0.958837 36 1 0 -7.611550 -0.641836 0.178825 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 N 0.000000 2 H 1.010000 0.000000 3 C 1.454080 2.127664 0.000000 4 H 2.137682 2.986035 1.090000 0.000000 5 C 2.469816 2.996389 1.538256 2.150791 0.000000 6 H 2.680558 2.853468 2.161879 3.051104 1.090000 7 H 3.400665 3.913921 2.161878 2.471686 1.090000 8 H 2.760735 3.446171 2.161879 2.478326 1.090000 9 C 2.364903 2.484185 1.516164 2.115959 2.507484 10 O 2.625790 2.234183 2.388146 3.204502 3.210551 11 C 10.483407 10.020648 11.251989 12.160861 10.545222 12 C 11.270663 10.711124 12.035957 12.998645 11.375085 13 C 9.348398 8.884483 10.223732 11.112764 9.641391 14 C 9.062879 8.481250 10.039911 10.966798 9.639774 15 C 9.957820 9.281047 10.906963 11.884774 10.538207 16 C 11.024704 10.368118 11.870677 12.864707 11.365664 17 C 4.513357 3.692244 5.539151 6.527845 5.623302 18 C 4.934102 4.195566 6.185958 7.057864 6.445609 19 C 6.134538 5.484697 7.378816 8.232260 7.480377 20 C 6.850729 6.211816 7.939602 8.859684 7.777314 21 C 5.435813 4.694077 6.256556 7.291056 6.008931 22 C 6.544454 5.874496 7.436146 8.431128 7.105252 23 O 8.116496 7.533129 9.215433 10.103593 8.986690 24 Cl 12.697573 12.152359 13.363536 14.332768 12.594918 25 Cl 3.483246 2.520045 4.360354 5.370307 4.695886 26 Cl 7.084062 6.528367 8.443949 9.175187 8.693217 27 O 8.731820 8.393503 9.609094 10.420028 8.999098 28 H 5.530094 4.805920 6.117521 7.187904 5.719824 29 H 10.875840 10.494808 11.567674 12.438122 10.749409 30 H 9.961688 9.213123 10.964537 11.953007 10.732321 31 H 11.777975 11.069809 12.607184 13.625898 12.131275 32 H 4.628803 3.910176 5.982421 6.761503 6.489089 33 H 7.362633 6.729789 8.134148 9.140927 7.635971 34 H 8.061923 7.713340 9.033102 9.827955 8.550127 35 H 1.090000 1.810788 2.238380 2.530980 3.120039 36 H 3.315346 3.541287 2.232841 2.385612 3.090655 6 7 8 9 10 6 H 0.000000 7 H 1.779646 0.000000 8 H 1.779644 1.779646 0.000000 9 C 2.757698 2.726386 3.449370 0.000000 10 O 3.042547 3.583356 4.163657 1.239474 0.000000 11 C 9.665803 11.293837 10.341090 11.798191 11.229935 12 C 10.430873 12.097223 11.282569 12.431862 11.753009 13 C 8.804882 10.471867 9.419015 10.815067 10.251414 14 C 8.776718 10.515214 9.530518 10.500282 9.813406 15 C 9.609903 11.371237 10.542200 11.202622 10.402295 16 C 10.399039 12.127192 11.368488 12.148721 11.361986 17 C 4.823682 6.543915 5.889293 5.699999 4.881550 18 C 5.798480 7.452696 6.560741 6.501124 5.759665 19 C 6.801944 8.496823 7.464579 7.808908 7.108719 20 C 6.973287 8.728020 7.751654 8.360741 7.651317 21 C 5.062908 6.837821 6.246682 6.423617 5.631432 22 C 6.184437 7.959765 7.188721 7.741441 7.002191 23 O 8.198193 9.936420 8.867235 9.711846 9.035028 24 Cl 11.630151 13.235456 12.511732 13.725729 13.057878 25 Cl 3.973569 5.530984 5.212737 4.220370 3.279311 26 Cl 8.147241 9.754186 8.571408 8.969224 8.335408 27 O 8.262917 9.855834 8.644465 10.366984 9.937748 28 H 4.688322 6.421160 6.069620 6.151819 5.353027 29 H 9.906058 11.453200 10.470375 12.194621 11.714293 30 H 9.805169 11.582791 10.812673 11.156355 10.275470 31 H 11.135422 12.865027 12.201885 12.782929 11.932253 32 H 5.985847 7.513110 6.616262 6.282564 5.575703 33 H 6.666244 8.413510 7.704978 8.430040 7.712056 34 H 7.853210 9.467138 8.199491 9.804892 9.368177 35 H 3.449709 4.079579 3.042405 3.354459 3.681468 36 H 3.510789 2.939951 4.021359 1.090000 2.050635 11 12 13 14 15 11 C 0.000000 12 C 1.431941 0.000000 13 C 1.432654 2.478310 0.000000 14 C 2.460638 2.850363 1.406938 0.000000 15 C 2.853318 2.471353 2.465755 1.432944 0.000000 16 C 2.465951 1.419031 2.848181 2.470180 1.428366 17 C 6.914671 7.373775 5.786531 5.087081 5.688050 18 C 7.004859 7.521633 5.718276 4.900653 5.605949 19 C 5.960486 6.496636 4.615523 3.728892 4.527896 20 C 4.585702 5.094205 3.307430 2.422702 3.276729 21 C 5.812392 6.214782 4.847991 4.263429 4.791493 22 C 4.508985 4.933540 3.492440 2.855556 3.481380 23 O 3.735332 4.255513 2.419124 1.405271 2.467919 24 Cl 2.708465 1.684287 4.031499 4.534644 4.015839 25 Cl 8.448664 8.883530 7.383082 6.736448 7.267380 26 Cl 6.681772 7.241484 5.293284 4.399029 5.200799 27 O 2.446695 3.739516 1.365570 2.376094 3.695400 28 H 6.137908 6.468399 5.369432 4.925209 5.326774 29 H 1.087000 2.188255 2.191082 3.444091 3.940318 30 H 3.940294 3.457848 3.446264 2.188964 1.087000 31 H 3.452068 2.176353 3.935154 3.454237 2.180599 32 H 8.025690 8.557608 6.703647 5.874052 6.573323 33 H 3.708684 4.055547 2.953436 2.535601 3.016544 34 H 3.247598 4.401853 1.923590 2.372175 3.801284 35 H 10.544001 11.417743 9.341983 9.092158 10.087181 36 H 12.804038 13.427493 11.853496 11.558488 12.240745 16 17 18 19 20 16 C 0.000000 17 C 6.826370 0.000000 18 C 6.907643 1.443294 0.000000 19 C 5.887333 2.456219 1.417530 0.000000 20 C 4.557749 2.824714 2.481539 1.449077 0.000000 21 C 5.759141 1.418922 2.504470 2.869723 2.463556 22 C 4.494127 2.447870 2.886903 2.509798 1.442620 23 O 3.761957 4.221605 3.736139 2.437543 1.397358 24 Cl 2.687347 8.879782 9.135209 8.158862 6.742101 25 Cl 8.341685 1.681228 2.685832 3.991239 4.505930 26 Cl 6.604051 4.032956 2.699393 1.716376 2.764363 27 O 4.213244 5.703732 5.548437 4.500362 3.419929 28 H 6.094546 2.176571 3.483121 3.956558 3.453672 29 H 3.450197 7.615046 7.750716 6.747947 5.406775 30 H 2.191898 5.539848 5.377472 4.358318 3.324639 31 H 1.087000 7.468794 7.590939 6.629784 5.361298 32 H 7.911486 2.198239 1.087000 2.193417 3.479721 33 H 3.752804 3.437737 3.973835 3.492611 2.197772 34 H 4.611088 5.060698 4.742927 3.664117 2.768332 35 H 11.204147 4.846906 4.978403 6.063325 6.886678 36 H 13.157670 6.762974 7.577093 8.894259 9.439068 21 22 23 24 25 21 C 0.000000 22 C 1.410232 0.000000 23 O 3.752532 2.481047 0.000000 24 Cl 7.638573 6.445565 5.939797 0.000000 25 Cl 2.682161 3.989298 5.902695 10.313884 0.000000 26 Cl 4.586039 4.097845 3.005322 8.923274 5.378645 27 O 4.931609 3.725749 2.721791 5.155115 7.248355 28 H 1.087000 2.170600 4.644639 7.737825 2.840223 29 H 6.495815 5.267352 4.607602 2.875913 9.096235 30 H 4.804050 3.639039 2.708829 4.878912 7.068261 31 H 6.407471 5.241140 4.642882 2.845733 8.915786 32 H 3.479103 3.973372 4.627103 10.185981 2.836055 33 H 2.174917 1.087000 2.732463 5.478121 4.856574 34 H 4.487235 3.340523 2.175332 5.929791 6.624478 35 H 5.832394 6.782834 8.062381 12.892936 4.099926 36 H 7.452388 8.784596 10.792128 14.682159 5.246330 26 27 28 29 30 26 Cl 0.000000 27 O 5.083027 0.000000 28 H 5.672779 5.507436 0.000000 29 H 7.458605 2.710471 6.745805 0.000000 30 H 4.954288 4.562925 5.393192 5.027291 0.000000 31 H 7.331975 5.300090 6.672078 4.350758 2.519087 32 H 2.870917 6.455493 4.366832 8.762064 6.271165 33 H 4.961220 3.429325 2.509744 4.451296 3.404656 34 H 4.171178 0.974000 5.206654 3.652663 4.490796 35 H 6.791566 8.610843 6.088694 10.911190 10.115165 36 H 10.042484 11.403004 7.115044 13.176192 12.191857 31 32 33 34 35 31 H 0.000000 32 H 8.572498 0.000000 33 H 4.512773 5.060368 0.000000 34 H 5.676730 5.593287 3.337029 0.000000 35 H 12.011677 4.571568 7.641520 7.886792 0.000000 36 H 13.772634 7.331547 9.440376 10.860870 4.202418 36 36 H 0.000000 Symmetry turned off by external request. Stoichiometry C15H14Cl3NO3 Framework group C1[X(C15H14Cl3NO3)] Deg. of freedom 102 Full point group C1 NOp 1 Rotational constants (GHZ): 0.3464367 0.0725261 0.0661246 Leave Link 202 at Fri Apr 28 12:25:05 2017, MaxMem= 33554432 cpu: 0.0 (Enter /opt/gaussian/09.D.01/g09/l301.exe) Standard basis: 6-311++G(d) (5D, 7F) Ernie: Thresh= 0.10000D-02 Tol= 0.10000D-05 Strict=F. 564 basis functions, 927 primitive gaussians, 586 cartesian basis functions 93 alpha electrons 93 beta electrons nuclear repulsion energy 2009.8193729862 Hartrees. IExCor= 4336 DFT=T Ex+Corr=M062X ExCW=0 ScaHFX= 0.540000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 IRadAn= 0 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi= 4 NAtoms= 36 NActive= 36 NUniq= 36 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 2 integral format. Two-electron integral symmetry is turned off. Background charge distribution read from rwf. PtFMM for NChg= 1096 BoxLen= 40.00 Levels= 2 LMax=20 SMax= 62.2 ICnFMM= 1: Self energy of the charges = -34.2413720723 a.u. MM energy of the charges = 0.0000000000 a.u. Nuclei-charges interaction = -17.6472828504 a.u. Nuclear repulsion after external point charges = 1957.9307180635 Hartrees. Leave Link 301 at Fri Apr 28 12:25:05 2017, MaxMem= 33554432 cpu: 0.0 (Enter /opt/gaussian/09.D.01/g09/l302.exe) NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. NBasis= 564 RedAO= T EigKep= 1.80D-06 NBF= 564 NBsUse= 561 1.00D-06 EigRej= 9.76D-07 NBFU= 561 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 0 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 562 562 562 562 562 MxSgAt= 36 MxSgA2= 36. Leave Link 302 at Fri Apr 28 12:25:08 2017, MaxMem= 33554432 cpu: 2.2 (Enter /opt/gaussian/09.D.01/g09/l303.exe) DipDrv: MaxL=1. Leave Link 303 at Fri Apr 28 12:25:09 2017, MaxMem= 33554432 cpu: 0.1 (Enter /opt/gaussian/09.D.01/g09/l401.exe) ExpMin= 3.60D-02 ExpMax= 1.06D+05 ExpMxC= 3.62D+03 IAcc=3 IRadAn= 5 AccDes= 0.00D+00 Harris functional with IExCor= 1009 and IRadAn= 5 diagonalized for initial guess. HarFok: IExCor= 1009 AccDes= 0.00D+00 IRadAn= 5 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000