Entering Link 1 = C:\G09W\l1.exe PID= 2728. 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\exo 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 2.29845 0.69701 -0.65483 C 1.3738 1.36238 0.10631 C 1.37117 -1.36329 0.10803 C 2.29715 -0.70062 -0.65385 H 2.85342 1.2224 -1.40823 H 2.85124 -1.22809 -1.40645 C -0.38569 0.6864 -1.14268 H -0.07554 1.32006 -1.93824 C -0.38619 -0.68671 -1.14239 H -0.07661 -1.3209 -1.93774 H 1.24051 -2.42326 -0.00525 H 1.24498 2.4224 -0.0085 C 0.94023 -0.7786 1.44193 H -0.01225 -1.17576 1.75692 H 1.66823 -1.12354 2.1684 C 0.94187 0.78024 1.441 H -0.00973 1.17992 1.75551 H 1.67069 1.12452 2.16697 C -1.43722 1.14498 -0.20535 C -1.43829 -1.14412 -0.205 O -1.9672 0.00074 0.3926 O -1.81581 2.23981 0.07199 O -1.81782 -2.23852 0.0726 Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 2.298451 0.697009 -0.654828 2 6 0 1.373803 1.362381 0.106308 3 6 0 1.371168 -1.363290 0.108031 4 6 0 2.297151 -0.700624 -0.653847 5 1 0 2.853423 1.222396 -1.408230 6 1 0 2.851240 -1.228087 -1.406454 7 6 0 -0.385685 0.686405 -1.142676 8 1 0 -0.075538 1.320058 -1.938235 9 6 0 -0.386188 -0.686711 -1.142385 10 1 0 -0.076609 -1.320902 -1.937740 11 1 0 1.240515 -2.423258 -0.005253 12 1 0 1.244980 2.422402 -0.008497 13 6 0 0.940232 -0.778598 1.441926 14 1 0 -0.012249 -1.175758 1.756915 15 1 0 1.668228 -1.123540 2.168400 16 6 0 0.941869 0.780235 1.441000 17 1 0 -0.009726 1.179923 1.755506 18 1 0 1.670694 1.124519 2.166966 19 6 0 -1.437224 1.144980 -0.205355 20 6 0 -1.438292 -1.144119 -0.204998 21 8 0 -1.967201 0.000743 0.392602 22 8 0 -1.815807 2.239806 0.071994 23 8 0 -1.817825 -2.238519 0.072599 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.370044 0.000000 3 C 2.384667 2.725672 0.000000 4 C 1.397634 2.384617 1.370047 0.000000 5 H 1.073145 2.121956 3.343935 2.139285 0.000000 6 H 2.139278 3.343919 2.121923 1.073149 2.450485 7 C 2.728130 2.261129 2.975239 3.059479 3.293877 8 H 2.769684 2.506500 3.671583 3.370826 2.978129 9 C 3.059359 2.975833 2.260443 2.727485 3.769674 10 H 3.370272 3.671762 2.506598 2.769091 3.915844 11 H 3.358160 3.789627 1.073982 2.122409 4.226182 12 H 2.122387 1.073974 3.789586 3.358100 2.446703 13 C 2.901474 2.560400 1.518830 2.497914 3.973370 14 H 3.829242 3.329834 2.160516 3.372070 4.897077 15 H 3.417923 3.243256 2.095434 2.922239 4.438512 16 C 2.497946 1.518836 2.560430 2.901399 3.459430 17 H 3.372031 2.160392 3.330010 3.829245 4.267159 18 H 2.922219 2.095479 3.243166 3.417687 3.767022 19 C 3.789191 2.836595 3.778451 4.189625 4.456742 20 C 4.189910 3.779858 2.835329 3.788362 5.046481 21 O 4.447210 3.619161 3.617495 4.446535 5.289030 22 O 4.453719 3.308272 4.810448 5.107778 5.002788 23 O 5.107856 4.811871 3.307107 4.452625 5.999278 6 7 8 9 10 6 H 0.000000 7 C 3.769952 0.000000 8 H 3.916870 1.063308 0.000000 9 C 3.292987 1.373116 2.181056 0.000000 10 H 2.977109 2.181040 2.640960 1.063309 0.000000 11 H 2.446678 3.688937 4.413709 2.637201 2.585442 12 H 4.226160 2.638014 2.585115 3.689580 4.413717 13 C 3.459373 3.253376 4.106293 2.906286 3.570742 14 H 4.267225 3.466228 4.459512 2.963940 3.698065 15 H 3.766966 4.296241 5.086880 3.920809 4.465848 16 C 3.973292 2.906301 3.570120 3.254158 4.107062 17 H 4.897104 2.963842 3.696984 3.467538 4.460791 18 H 4.438218 3.921016 4.465450 4.296874 5.087413 19 C 5.046287 1.481417 2.210818 2.310367 3.306509 20 C 4.455404 2.310419 3.306566 1.481499 2.210843 21 O 5.288099 2.308333 3.278991 2.308328 3.278959 22 O 5.999451 2.435924 2.813449 3.476065 4.443251 23 O 5.000873 3.476074 4.443252 2.435955 2.813416 11 12 13 14 15 11 H 0.000000 12 H 4.845663 0.000000 13 C 2.211200 3.527464 0.000000 14 H 2.496179 4.200484 1.078969 0.000000 15 H 2.568458 4.182311 1.084771 1.730910 0.000000 16 C 3.527493 2.211251 1.558834 2.199103 2.163578 17 H 4.200748 2.495947 2.199217 2.355683 2.879575 18 H 4.182143 2.568730 2.163588 2.879534 2.248061 19 C 4.465719 2.977378 3.473612 3.356618 4.519373 20 C 2.975248 4.467509 2.916049 2.425635 3.909464 21 O 4.040236 4.042699 3.187729 2.658447 4.199263 22 O 5.575951 3.067285 4.310826 4.214007 5.276885 23 O 3.064903 5.577771 3.407829 2.688212 4.217597 16 17 18 19 20 16 C 0.000000 17 H 1.078979 0.000000 18 H 1.084779 1.730948 0.000000 19 C 2.916094 2.425685 3.909921 0.000000 20 C 3.475286 3.359397 4.520921 2.289099 0.000000 21 O 3.188955 2.660767 4.200657 1.395602 1.395557 22 O 3.407242 2.686911 4.217637 1.191172 3.416166 23 O 4.312923 4.217480 5.278841 3.416164 1.191141 21 22 23 21 O 0.000000 22 O 2.266961 0.000000 23 O 2.266938 4.478325 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 2.298451 0.697009 -0.654828 2 6 0 1.373803 1.362381 0.106308 3 6 0 1.371168 -1.363290 0.108031 4 6 0 2.297151 -0.700624 -0.653847 5 1 0 2.853423 1.222396 -1.408230 6 1 0 2.851240 -1.228087 -1.406454 7 6 0 -0.385685 0.686405 -1.142676 8 1 0 -0.075538 1.320058 -1.938235 9 6 0 -0.386188 -0.686711 -1.142385 10 1 0 -0.076609 -1.320902 -1.937740 11 1 0 1.240515 -2.423258 -0.005253 12 1 0 1.244980 2.422402 -0.008497 13 6 0 0.940232 -0.778598 1.441926 14 1 0 -0.012249 -1.175758 1.756915 15 1 0 1.668228 -1.123540 2.168400 16 6 0 0.941869 0.780235 1.441000 17 1 0 -0.009726 1.179923 1.755506 18 1 0 1.670694 1.124519 2.166966 19 6 0 -1.437224 1.144980 -0.205355 20 6 0 -1.438292 -1.144119 -0.204998 21 8 0 -1.967201 0.000743 0.392602 22 8 0 -1.815807 2.239806 0.071994 23 8 0 -1.817825 -2.238519 0.072599 --------------------------------------------------------------------- Rotational constants (GHZ): 1.2022246 0.9009747 0.6866310 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 472.1844846617 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) = -0.316330209696E-01 A.U. after 16 cycles Convg = 0.6209D-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 -- -1.57549 -1.47823 -1.45457 -1.40187 -1.24833 Alpha occ. eigenvalues -- -1.18962 -1.18218 -0.98128 -0.90126 -0.86635 Alpha occ. eigenvalues -- -0.84644 -0.81819 -0.68569 -0.67361 -0.65978 Alpha occ. eigenvalues -- -0.65226 -0.64300 -0.60212 -0.58212 -0.57133 Alpha occ. eigenvalues -- -0.56484 -0.55528 -0.54727 -0.53092 -0.51733 Alpha occ. eigenvalues -- -0.48082 -0.47162 -0.46380 -0.45391 -0.44370 Alpha occ. eigenvalues -- -0.43404 -0.42989 -0.37542 -0.34113 Alpha virt. eigenvalues -- -0.04051 -0.01471 0.04135 0.05411 0.06093 Alpha virt. eigenvalues -- 0.06553 0.09596 0.10353 0.11865 0.12329 Alpha virt. eigenvalues -- 0.13540 0.13625 0.14360 0.14458 0.14630 Alpha virt. eigenvalues -- 0.15215 0.15988 0.16080 0.16575 0.16821 Alpha virt. eigenvalues -- 0.16923 0.16956 0.18628 0.18943 0.19832 Alpha virt. eigenvalues -- 0.20101 0.22190 0.22650 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 C 4.140614 0.000000 0.000000 0.000000 0.000000 0.000000 2 C 0.000000 4.112127 0.000000 0.000000 0.000000 0.000000 3 C 0.000000 0.000000 4.112228 0.000000 0.000000 0.000000 4 C 0.000000 0.000000 0.000000 4.140487 0.000000 0.000000 5 H 0.000000 0.000000 0.000000 0.000000 0.867989 0.000000 6 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.868001 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 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 16 C 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 17 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 18 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 19 C 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 20 C 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 O 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 23 O 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 4.204091 0.000000 0.000000 0.000000 0.000000 0.000000 8 H 0.000000 0.832673 0.000000 0.000000 0.000000 0.000000 9 C 0.000000 0.000000 4.203836 0.000000 0.000000 0.000000 10 H 0.000000 0.000000 0.000000 0.832696 0.000000 0.000000 11 H 0.000000 0.000000 0.000000 0.000000 0.866269 0.000000 12 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.866289 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 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 16 C 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 17 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 18 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 19 C 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 20 C 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 O 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 23 O 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 4.140764 0.000000 0.000000 0.000000 0.000000 0.000000 14 H 0.000000 0.897102 0.000000 0.000000 0.000000 0.000000 15 H 0.000000 0.000000 0.903351 0.000000 0.000000 0.000000 16 C 0.000000 0.000000 0.000000 4.140756 0.000000 0.000000 17 H 0.000000 0.000000 0.000000 0.000000 0.897107 0.000000 18 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.903353 19 C 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 20 C 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 O 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 23 O 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 H 0.000000 0.000000 0.000000 0.000000 0.000000 16 C 0.000000 0.000000 0.000000 0.000000 0.000000 17 H 0.000000 0.000000 0.000000 0.000000 0.000000 18 H 0.000000 0.000000 0.000000 0.000000 0.000000 19 C 3.650854 0.000000 0.000000 0.000000 0.000000 20 C 0.000000 3.650875 0.000000 0.000000 0.000000 21 O 0.000000 0.000000 6.278857 0.000000 0.000000 22 O 0.000000 0.000000 0.000000 6.244849 0.000000 23 O 0.000000 0.000000 0.000000 0.000000 6.244833 Mulliken atomic charges: 1 1 C -0.140614 2 C -0.112127 3 C -0.112228 4 C -0.140487 5 H 0.132011 6 H 0.131999 7 C -0.204091 8 H 0.167327 9 C -0.203836 10 H 0.167304 11 H 0.133731 12 H 0.133711 13 C -0.140764 14 H 0.102898 15 H 0.096649 16 C -0.140756 17 H 0.102893 18 H 0.096647 19 C 0.349146 20 C 0.349125 21 O -0.278857 22 O -0.244849 23 O -0.244833 Sum of Mulliken atomic charges = 0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 C -0.008603 2 C 0.021584 3 C 0.021503 4 C -0.008488 7 C -0.036764 9 C -0.036532 13 C 0.058783 16 C 0.058785 19 C 0.349146 20 C 0.349125 21 O -0.278857 22 O -0.244849 23 O -0.244833 Sum of Mulliken charges with hydrogens summed into heavy atoms = 0.00000 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= 3.9571 Y= -0.0023 Z= -1.8708 Tot= 4.3770 N-N= 4.721844846617D+02 E-N=-8.457913484885D+02 KE=-4.739350805679D+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,0,2.29845063,0.69700875,-0 .65482808|C,0,1.37380292,1.36238061,0.10630815|C,0,1.37116808,-1.36328 976,0.10803136|C,0,2.29715145,-0.70062413,-0.65384652|H,0,2.85342252,1 .22239628,-1.40823046|H,0,2.85123968,-1.22808729,-1.40645394|C,0,-0.38 568507,0.68640464,-1.14267574|H,0,-0.07553841,1.32005823,-1.93823547|C ,0,-0.38618846,-0.68671119,-1.14238529|H,0,-0.07660949,-1.320902,-1.93 773974|H,0,1.24051458,-2.42325795,-0.00525334|H,0,1.24498011,2.4224020 6,-0.00849737|C,0,0.94023154,-0.77859813,1.4419262|H,0,-0.01224906,-1. 17575839,1.75691521|H,0,1.6682276,-1.12354011,2.16840044|C,0,0.9418688 5,0.78023523,1.44099987|H,0,-0.00972566,1.17992258,1.75550586|H,0,1.67 069435,1.12451943,2.16696605|C,0,-1.437224,1.14498013,-0.20535489|C,0, -1.4382919,-1.14411885,-0.20499817|O,0,-1.96720084,0.00074312,0.392601 95|O,0,-1.81580693,2.23980586,0.07199441|O,0,-1.81782477,-2.23851857,0 .07259881||Version=IA32W-G09RevB.01|State=1-A|HF=-0.031633|RMSD=6.209e -009|Dipole=1.5568357,-0.0008899,-0.7360406|PG=C01 [X(C10H10O3)]||@ Sometimes the fool who rushes in gets the job done. -- Al Bernstein 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 15:16:48 2011.