Entering Link 1 = C:\G09W\l1.exe PID= 2160. Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2010, 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 B.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, 2010. ****************************************** Gaussian 09: IA32W-G09RevB.01 12-Aug-2010 13-Dec-2011 ****************************************** %chk=\\icfs7.cc.ic.ac.uk\sp3609\Computational Labs\module 3\maleic anhydride + d iene\endo MOs 1.chk ------------------------ # ram1 geom=connectivity ------------------------ 1/38=1,57=2/1; 2/12=2,17=6,18=5,40=1/2; 3/5=2,16=1,25=1,41=700000,116=1/1,2,3; 4/35=1/1; 5/5=2,35=1,38=5/2; 6/7=2,8=2,9=2,10=2,28=1/1; 99/5=1,9=1/99; ------------------- Title Card Required ------------------- Symbolic Z-matrix: Charge = 0 Multiplicity = 1 C 0.81766 -0.69855 1.43365 C 1.25415 -1.3603 0.31534 C 1.25396 1.36016 0.31631 C 0.81738 0.69762 1.43414 H 0.27364 -1.22694 2.19157 H 0.27302 1.22525 2.19232 C -0.34536 -0.6852 -1.08552 H 0.05849 -1.32538 -1.83483 C -0.34524 0.68499 -1.08561 H 0.05894 1.32499 -1.8349 H 1.09303 2.41923 0.23906 H 1.09367 -2.41942 0.23768 C 2.3779 0.78035 -0.52281 H 3.30805 1.12926 -0.08663 C 2.37782 -0.7798 -0.52364 H 3.30809 -1.12931 -0.0882 C -1.45598 -1.14684 -0.22163 C -1.45585 1.14703 -0.22179 O -2.00293 0.00018 0.35196 O -1.86913 -2.23985 0.01275 O -1.8688 2.24017 0.01242 H 2.34037 -1.16817 -1.5325 H 2.34089 1.1698 -1.53125 Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 0.817663 -0.698555 1.433653 2 6 0 1.254150 -1.360300 0.315338 3 6 0 1.253955 1.360159 0.316312 4 6 0 0.817384 0.697616 1.434137 5 1 0 0.273641 -1.226942 2.191569 6 1 0 0.273018 1.225246 2.192324 7 6 0 -0.345362 -0.685201 -1.085520 8 1 0 0.058494 -1.325376 -1.834834 9 6 0 -0.345241 0.684991 -1.085612 10 1 0 0.058942 1.324987 -1.834903 11 1 0 1.093028 2.419233 0.239063 12 1 0 1.093666 -2.419425 0.237679 13 6 0 2.377895 0.780353 -0.522808 14 1 0 3.308055 1.129262 -0.086627 15 6 0 2.377821 -0.779803 -0.523645 16 1 0 3.308090 -1.129313 -0.088197 17 6 0 -1.455979 -1.146838 -0.221633 18 6 0 -1.455846 1.147034 -0.221791 19 8 0 -2.002926 0.000177 0.351962 20 8 0 -1.869129 -2.239853 0.012750 21 8 0 -1.868800 2.240171 0.012423 22 1 0 2.340371 -1.168173 -1.532499 23 1 0 2.340887 1.169802 -1.531250 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.370787 0.000000 3 C 2.382668 2.720459 0.000000 4 C 1.396170 2.382749 1.370799 0.000000 5 H 1.072189 2.121185 3.342259 2.138523 0.000000 6 H 2.138511 3.342266 2.121288 1.072183 2.452188 7 C 2.774715 2.230829 2.950669 3.100457 3.378751 8 H 3.413540 2.460499 3.642617 3.918493 4.033349 9 C 3.100523 2.950241 2.231293 2.775066 3.844271 10 H 3.918398 3.641816 2.461102 3.414008 4.771888 11 H 3.350145 3.783734 1.074013 2.113800 4.216428 12 H 2.113747 1.074026 3.783798 3.350192 2.431490 13 C 2.906757 2.558845 1.517741 2.504331 3.978060 14 H 3.442996 3.252387 2.105944 2.949997 4.466491 15 C 2.504338 1.517730 2.558913 2.906998 3.464086 16 H 2.950221 2.105912 3.252779 3.443659 3.796675 17 C 2.847873 2.771047 3.730705 3.363296 2.970108 18 C 3.363858 3.730859 2.770920 2.848096 3.801473 19 O 3.100646 3.529982 3.529603 3.100269 3.173756 20 O 3.407846 3.258840 4.775551 4.226868 3.219426 21 O 4.227658 4.775768 3.258584 3.408274 4.621645 22 H 3.367082 2.152044 3.315247 3.821202 4.259520 23 H 3.821207 3.315464 2.152009 3.367127 4.886437 6 7 8 9 10 6 H 0.000000 7 C 3.844017 0.000000 8 H 4.771761 1.065080 0.000000 9 C 3.379199 1.370192 2.183096 0.000000 10 H 4.034147 2.183093 2.650363 1.065080 0.000000 11 H 2.431718 3.668923 4.403794 2.613613 2.562819 12 H 4.216364 2.613272 2.561999 3.668644 4.403053 13 C 3.464157 3.143346 3.396341 2.782321 2.719516 14 H 3.796614 4.199705 4.431831 3.813386 3.694795 15 C 3.978304 2.782153 2.719586 3.142688 3.395105 16 H 4.467257 3.813082 3.694463 4.199209 4.430749 17 C 3.800448 1.480838 2.219892 2.309934 3.317762 18 C 2.970361 2.310041 3.317822 1.480917 2.219995 19 O 3.172956 2.298612 3.284603 2.298589 3.284631 20 O 4.620200 2.438238 2.822333 3.476111 4.454140 21 O 3.220160 3.476226 4.454206 2.438340 2.822475 22 H 4.886380 2.765179 2.307181 3.293393 3.392965 23 H 4.259597 3.294791 3.395202 2.765668 2.307284 11 12 13 14 15 11 H 0.000000 12 H 4.838658 0.000000 13 C 2.217489 3.530745 0.000000 14 H 2.583881 4.195458 1.084983 0.000000 15 C 3.530757 2.217437 1.560156 2.168144 0.000000 16 H 4.195924 2.583458 2.168173 2.258576 1.084976 17 C 4.407555 2.886371 4.301554 5.281560 3.863152 18 C 2.885764 4.408033 3.862983 4.765851 4.301257 19 O 3.930586 3.931465 4.534919 5.447358 4.534974 20 O 5.525637 2.976742 5.238862 6.177705 4.522836 21 O 2.975879 5.526191 4.522385 5.295636 5.238454 22 H 4.190916 2.500687 2.194911 2.881868 1.081675 23 H 2.500447 4.191327 1.081663 1.738963 2.194901 16 17 18 19 20 16 H 0.000000 17 C 4.765969 0.000000 18 C 5.281542 2.293872 0.000000 19 O 5.447602 1.394204 1.394192 0.000000 20 O 5.295949 1.191767 3.420061 2.269515 0.000000 21 O 6.177681 3.420093 1.191778 2.269548 4.480024 22 H 1.738964 4.016354 4.635667 4.876522 4.610443 23 H 2.881634 4.636606 4.016265 4.876804 5.633287 21 22 23 21 O 0.000000 22 H 5.632115 0.000000 23 H 4.609782 2.337975 0.000000 Stoichiometry C10H10O3 Framework group C1[X(C10H10O3)] Deg. of freedom 63 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 0.817663 -0.698555 1.433653 2 6 0 1.254150 -1.360300 0.315338 3 6 0 1.253955 1.360159 0.316312 4 6 0 0.817384 0.697616 1.434137 5 1 0 0.273641 -1.226942 2.191569 6 1 0 0.273018 1.225246 2.192324 7 6 0 -0.345362 -0.685201 -1.085520 8 1 0 0.058494 -1.325376 -1.834834 9 6 0 -0.345241 0.684991 -1.085612 10 1 0 0.058942 1.324987 -1.834903 11 1 0 1.093028 2.419233 0.239063 12 1 0 1.093666 -2.419425 0.237679 13 6 0 2.377895 0.780353 -0.522808 14 1 0 3.308055 1.129262 -0.086627 15 6 0 2.377821 -0.779803 -0.523645 16 1 0 3.308090 -1.129313 -0.088197 17 6 0 -1.455979 -1.146838 -0.221633 18 6 0 -1.455846 1.147034 -0.221791 19 8 0 -2.002926 0.000177 0.351962 20 8 0 -1.869129 -2.239853 0.012750 21 8 0 -1.868800 2.240171 0.012423 22 1 0 2.340371 -1.168173 -1.532499 23 1 0 2.340887 1.169802 -1.531250 --------------------------------------------------------------------- Rotational constants (GHZ): 1.2365644 0.8948577 0.6724410 Standard basis: VSTO-6G (5D, 7F) There are 62 symmetry adapted basis functions of A symmetry. Integral buffers will be 262144 words long. Regular integral format. Two-electron integral symmetry is turned off. 62 basis functions, 372 primitive gaussians, 62 cartesian basis functions 34 alpha electrons 34 beta electrons nuclear repulsion energy 471.8012671262 Hartrees. Do NDO integrals. One-electron integrals computed using PRISM. NBasis= 62 RedAO= F NBF= 62 NBsUse= 62 1.00D-04 NBFU= 62 Simple Huckel Guess. Initial guess orbital symmetries: Occupied (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) Virtual (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) The electronic state of the initial guess is 1-A. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Overlap will be assumed to be unity. Keep J ints in memory in canonical form, NReq=895364. SCF Done: E(RAM1) = -0.322525020350E-01 A.U. after 15 cycles Convg = 0.7797D-08 -V/T = 0.9993 ********************************************************************** Population analysis using the SCF density. ********************************************************************** Orbital symmetries: Occupied (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) Virtual (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) The electronic state is 1-A. Alpha occ. eigenvalues -- -1.57619 -1.47498 -1.45691 -1.39986 -1.24562 Alpha occ. eigenvalues -- -1.19363 -1.18529 -0.98058 -0.90325 -0.86789 Alpha occ. eigenvalues -- -0.84624 -0.81833 -0.68652 -0.66828 -0.65537 Alpha occ. eigenvalues -- -0.65423 -0.64061 -0.60204 -0.59594 -0.56631 Alpha occ. eigenvalues -- -0.56577 -0.55674 -0.54405 -0.53109 -0.51946 Alpha occ. eigenvalues -- -0.47773 -0.47708 -0.46273 -0.45587 -0.44512 Alpha occ. eigenvalues -- -0.43129 -0.42843 -0.37793 -0.34321 Alpha virt. eigenvalues -- -0.03567 -0.01594 0.03475 0.05588 0.06315 Alpha virt. eigenvalues -- 0.07146 0.09635 0.10386 0.11750 0.11974 Alpha virt. eigenvalues -- 0.13071 0.13497 0.14412 0.14442 0.14654 Alpha virt. eigenvalues -- 0.15105 0.15642 0.15832 0.16143 0.16360 Alpha virt. eigenvalues -- 0.16744 0.16845 0.18418 0.18932 0.19739 Alpha virt. eigenvalues -- 0.20368 0.22386 0.22908 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 C 4.143507 0.000000 0.000000 0.000000 0.000000 0.000000 2 C 0.000000 4.113469 0.000000 0.000000 0.000000 0.000000 3 C 0.000000 0.000000 4.113457 0.000000 0.000000 0.000000 4 C 0.000000 0.000000 0.000000 4.143524 0.000000 0.000000 5 H 0.000000 0.000000 0.000000 0.000000 0.855488 0.000000 6 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.855465 7 C 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 8 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 9 C 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 10 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 11 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 12 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 13 C 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 14 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 15 C 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 16 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 17 C 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 18 C 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 19 O 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 20 O 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 21 O 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 22 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 23 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 7 8 9 10 11 12 1 C 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 2 C 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 3 C 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 4 C 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 5 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 6 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 7 C 4.207605 0.000000 0.000000 0.000000 0.000000 0.000000 8 H 0.000000 0.829976 0.000000 0.000000 0.000000 0.000000 9 C 0.000000 0.000000 4.207714 0.000000 0.000000 0.000000 10 H 0.000000 0.000000 0.000000 0.829981 0.000000 0.000000 11 H 0.000000 0.000000 0.000000 0.000000 0.865134 0.000000 12 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.865156 13 C 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 14 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 15 C 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 16 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 17 C 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 18 C 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 19 O 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 20 O 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 21 O 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 22 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 23 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 13 14 15 16 17 18 1 C 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 2 C 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 3 C 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 4 C 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 5 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 6 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 7 C 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 8 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 9 C 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 10 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 11 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 12 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 13 C 4.130457 0.000000 0.000000 0.000000 0.000000 0.000000 14 H 0.000000 0.905072 0.000000 0.000000 0.000000 0.000000 15 C 0.000000 0.000000 4.130458 0.000000 0.000000 0.000000 16 H 0.000000 0.000000 0.000000 0.905072 0.000000 0.000000 17 C 0.000000 0.000000 0.000000 0.000000 3.650938 0.000000 18 C 0.000000 0.000000 0.000000 0.000000 0.000000 3.650930 19 O 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 20 O 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 21 O 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 22 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 23 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 19 20 21 22 23 1 C 0.000000 0.000000 0.000000 0.000000 0.000000 2 C 0.000000 0.000000 0.000000 0.000000 0.000000 3 C 0.000000 0.000000 0.000000 0.000000 0.000000 4 C 0.000000 0.000000 0.000000 0.000000 0.000000 5 H 0.000000 0.000000 0.000000 0.000000 0.000000 6 H 0.000000 0.000000 0.000000 0.000000 0.000000 7 C 0.000000 0.000000 0.000000 0.000000 0.000000 8 H 0.000000 0.000000 0.000000 0.000000 0.000000 9 C 0.000000 0.000000 0.000000 0.000000 0.000000 10 H 0.000000 0.000000 0.000000 0.000000 0.000000 11 H 0.000000 0.000000 0.000000 0.000000 0.000000 12 H 0.000000 0.000000 0.000000 0.000000 0.000000 13 C 0.000000 0.000000 0.000000 0.000000 0.000000 14 H 0.000000 0.000000 0.000000 0.000000 0.000000 15 C 0.000000 0.000000 0.000000 0.000000 0.000000 16 H 0.000000 0.000000 0.000000 0.000000 0.000000 17 C 0.000000 0.000000 0.000000 0.000000 0.000000 18 C 0.000000 0.000000 0.000000 0.000000 0.000000 19 O 6.276690 0.000000 0.000000 0.000000 0.000000 20 O 0.000000 6.248021 0.000000 0.000000 0.000000 21 O 0.000000 0.000000 6.248035 0.000000 0.000000 22 H 0.000000 0.000000 0.000000 0.911927 0.000000 23 H 0.000000 0.000000 0.000000 0.000000 0.911923 Mulliken atomic charges: 1 1 C -0.143507 2 C -0.113469 3 C -0.113457 4 C -0.143524 5 H 0.144512 6 H 0.144535 7 C -0.207605 8 H 0.170024 9 C -0.207714 10 H 0.170019 11 H 0.134866 12 H 0.134844 13 C -0.130457 14 H 0.094928 15 C -0.130458 16 H 0.094928 17 C 0.349062 18 C 0.349070 19 O -0.276690 20 O -0.248021 21 O -0.248035 22 H 0.088073 23 H 0.088077 Sum of Mulliken atomic charges = 0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 C 0.001006 2 C 0.021375 3 C 0.021409 4 C 0.001010 7 C -0.037581 9 C -0.037695 13 C 0.052547 15 C 0.052544 17 C 0.349062 18 C 0.349070 19 O -0.276690 20 O -0.248021 21 O -0.248035 Sum of Mulliken charges with hydrogens summed into heavy atoms = 0.00000 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= 4.5900 Y= -0.0009 Z= -1.9848 Tot= 5.0008 N-N= 4.718012671262D+02 E-N=-8.450046748315D+02 KE=-4.739321473589D+01 1|1|UNPC-CHWS-274|SP|RAM1|ZDO|C10H10O3|SP3609|13-Dec-2011|0||# ram1 ge om=connectivity||Title Card Required||0,1|C,0,0.81766331,-0.69855484,1 .43365335|C,0,1.25414953,-1.3602997,0.31533782|C,0,1.25395523,1.360158 91,0.31631206|C,0,0.81738406,0.69761551,1.43413715|H,0,0.27364101,-1.2 2694154,2.19156895|H,0,0.27301838,1.22524595,2.19232449|C,0,-0.3453619 7,-0.68520126,-1.0855201|H,0,0.05849354,-1.3253758,-1.83483447|C,0,-0. 34524059,0.68499088,-1.08561215|H,0,0.05894182,1.32498692,-1.83490313| H,0,1.09302805,2.41923297,0.2390625|H,0,1.09366632,-2.41942488,0.23767 909|C,0,2.37789543,0.78035292,-0.52280807|H,0,3.30805487,1.12926231,-0 .08662703|C,0,2.37782056,-0.77980267,-0.52364466|H,0,3.30808968,-1.129 31342,-0.0881972|C,0,-1.45597892,-1.14683789,-0.22163266|C,0,-1.455846 02,1.14703432,-0.22179145|O,0,-2.00292557,0.00017687,0.35196227|O,0,-1 .86912855,-2.2398528,0.01275038|O,0,-1.86880038,2.24017103,0.01242337| H,0,2.34037148,-1.16817268,-1.53249907|H,0,2.34088712,1.16980235,-1.53 125011||Version=IA32W-G09RevB.01|State=1-A|HF=-0.0322525|RMSD=7.797e-0 09|Dipole=1.8058564,-0.0003516,-0.780894|PG=C01 [X(C10H10O3)]||@ Luck is a matter of preparation meeting opportunity. -- Oprah Winfrey Job cpu time: 0 days 0 hours 0 minutes 2.0 seconds. File lengths (MBytes): RWF= 5 Int= 0 D2E= 0 Chk= 1 Scr= 1 Normal termination of Gaussian 09 at Tue Dec 13 15:13:58 2011.