Entering Link 1 = C:\G09W\l1.exe PID= 4804. Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2011, 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. 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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 C.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: EM64W-G09RevC.01 23-Sep-2011 27-Nov-2012 ****************************************** %mem=250MB %chk=H:\3rdyear_lab\1Coperearrangement\fyl10_C6H10_react_anti.chk ---------------------------- # hf/3-21g geom=connectivity ---------------------------- 1/38=1,57=2/1; 2/12=2,17=6,18=5,40=1/2; 3/5=5,11=9,16=1,25=1,30=1/1,2,3; 4//1; 5/5=2,38=5/2; 6/7=2,8=2,9=2,10=2,28=1/1; 99/5=1,9=1/99; ------------------- Title Card Required ------------------- Charge = 0 Multiplicity = 1 Symbolic Z-Matrix: C 1.86875 1.79355 -0.05729 H 2.27839 2.28176 -0.91679 H 0.82534 1.61429 -0.21238 C 2.05714 2.68993 1.1807 H 1.55426 3.62168 1.02626 H 3.10056 2.86919 1.3358 C 2.50567 0.61345 0.13832 H 2.97182 0.61509 1.10144 H 1.79751 -0.18698 0.08618 H 3.25056 0.48049 -0.61822 C 1.46757 1.98727 2.41775 H 1.97045 1.05552 2.57219 H 0.42416 1.80801 2.26265 C 1.65596 2.88365 3.65574 H 1.24632 2.39544 4.51524 H 2.69938 3.06291 3.81083 C 1.01905 4.06375 3.46013 H 0.27416 4.19671 4.21668 H 1.72721 4.86418 3.51227 H 0.5529 4.06211 2.49701 Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 1.868752 1.793552 -0.057285 2 1 0 2.278390 2.281760 -0.916790 3 1 0 0.825339 1.614288 -0.212382 4 6 0 2.057143 2.689929 1.180704 5 1 0 1.554265 3.621680 1.026263 6 1 0 3.100556 2.869193 1.335801 7 6 0 2.505669 0.613449 0.138320 8 1 0 2.971817 0.615089 1.101442 9 1 0 1.797509 -0.186983 0.086184 10 1 0 3.250559 0.480490 -0.618225 11 6 0 1.467571 1.987273 2.417749 12 1 0 1.970450 1.055522 2.572189 13 1 0 0.424159 1.808009 2.262652 14 6 0 1.655963 2.883650 3.655738 15 1 0 1.246325 2.395442 4.515243 16 1 0 2.699375 3.062914 3.810834 17 6 0 1.019046 4.063753 3.460132 18 1 0 0.274155 4.196712 4.216677 19 1 0 1.727206 4.864185 3.512269 20 1 0 0.552898 4.062113 2.497011 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 H 1.070000 0.000000 3 H 1.070000 1.747303 0.000000 4 C 1.540000 2.148263 2.148263 0.000000 5 H 2.148263 2.468846 2.468846 1.070000 0.000000 6 H 2.148263 2.468846 3.024610 1.070000 1.747303 7 C 1.355200 1.987002 1.987002 2.366327 3.277662 8 H 1.987002 2.707748 2.707748 2.268892 3.324861 9 H 1.987002 2.707748 2.068533 3.089013 3.930500 10 H 1.987002 2.068533 2.707748 3.089013 3.930500 11 C 2.514809 3.444314 2.732978 1.540000 2.148263 12 H 2.732978 3.710993 3.062243 2.148263 3.024610 13 H 2.732978 3.710993 2.514809 2.148263 2.468846 14 C 3.875582 4.653783 4.154945 2.514809 2.732978 15 H 4.653783 5.530377 4.810184 3.444314 3.710993 16 H 4.154945 4.810184 4.668704 2.732978 3.062243 17 C 4.271772 4.890695 4.418683 2.856717 2.530930 18 H 5.156032 5.834079 5.156480 3.829697 3.485410 19 H 4.710683 5.156480 5.024760 3.205065 2.784591 20 H 3.660911 4.219125 3.661541 2.424523 1.832980 6 7 8 9 10 6 H 0.000000 7 C 2.622257 0.000000 8 H 2.269908 1.070000 0.000000 9 H 3.549603 1.070000 1.747303 0.000000 10 H 3.089760 1.070000 1.747303 1.747303 0.000000 11 C 2.148263 2.856717 2.424523 3.205065 3.829697 12 H 2.468846 2.530930 1.832980 2.784591 3.485410 13 H 3.024610 3.205065 3.043358 3.256240 4.248564 14 C 2.732978 4.271772 3.660911 4.710683 5.156032 15 H 3.710993 4.890695 4.219125 5.156480 5.834079 16 H 2.514809 4.418683 3.661541 5.024760 5.156480 17 C 3.205065 5.014886 4.611943 5.482544 5.869618 18 H 4.248564 5.869618 5.459862 6.212758 6.785688 19 H 3.256240 5.482544 5.041424 6.103875 6.212758 20 H 3.043358 4.611943 4.436300 5.041424 5.459862 11 12 13 14 15 11 C 0.000000 12 H 1.070000 0.000000 13 H 1.070000 1.747303 0.000000 14 C 1.540000 2.148263 2.148263 0.000000 15 H 2.148263 2.468846 2.468846 1.070000 0.000000 16 H 2.148263 2.468846 3.024610 1.070000 1.747303 17 C 2.366327 3.277662 2.622257 1.355200 1.987002 18 H 3.089013 3.930500 3.089760 1.987002 2.068533 19 H 3.089013 3.930500 3.549603 1.987002 2.707748 20 H 2.268892 3.324861 2.269908 1.987002 2.707748 16 17 18 19 20 16 H 0.000000 17 C 1.987002 0.000000 18 H 2.707748 1.070000 0.000000 19 H 2.068533 1.070000 1.747303 0.000000 20 H 2.707748 1.070000 1.747303 1.747303 0.000000 Stoichiometry C6H14 Framework group CI[X(C6H14)] Deg. of freedom 27 Full point group CI NOp 2 Largest Abelian subgroup CI NOp 2 Largest concise Abelian subgroup CI NOp 2 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 0.106394 -0.545049 -1.856511 2 1 0 0.516032 -0.056841 -2.716017 3 1 0 -0.937018 -0.724313 -2.011608 4 6 0 0.294786 0.351328 -0.618522 5 1 0 -0.208092 1.283079 -0.772963 6 1 0 1.338199 0.530592 -0.463426 7 6 0 0.743311 -1.725152 -1.660906 8 1 0 1.209459 -1.723512 -0.697784 9 1 0 0.035151 -2.525584 -1.713042 10 1 0 1.488202 -1.858111 -2.417451 11 6 0 -0.294786 -0.351328 0.618522 12 1 0 0.208092 -1.283079 0.772963 13 1 0 -1.338199 -0.530592 0.463426 14 6 0 -0.106394 0.545049 1.856511 15 1 0 -0.516032 0.056841 2.716017 16 1 0 0.937018 0.724313 2.011608 17 6 0 -0.743311 1.725152 1.660906 18 1 0 -1.488202 1.858111 2.417451 19 1 0 -0.035151 2.525584 1.713042 20 1 0 -1.209459 1.723512 0.697784 --------------------------------------------------------------------- Rotational constants (GHZ): 9.3238527 1.6694784 1.5380177 Standard basis: 3-21G (6D, 7F) There are 41 symmetry adapted basis functions of AG symmetry. There are 41 symmetry adapted basis functions of AU symmetry. Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. 82 basis functions, 132 primitive gaussians, 82 cartesian basis functions 25 alpha electrons 25 beta electrons nuclear repulsion energy 263.2406372861 Hartrees. NAtoms= 20 NActive= 20 NUniq= 10 SFac= 4.00D+00 NAtFMM= 60 NAOKFM=F Big=F One-electron integrals computed using PRISM. NBasis= 82 RedAO= T NBF= 41 41 NBsUse= 82 1.00D-06 NBFU= 41 41 Harris functional with IExCor= 205 diagonalized for initial guess. ExpMin= 1.83D-01 ExpMax= 1.72D+02 ExpMxC= 1.72D+02 IAcc=1 IRadAn= 1 AccDes= 0.00D+00 HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 1 IDoV= 1 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T Omega= 0.000000 0.000000 1.000000 0.000000 0.000000 ICntrl= 500 IOpCl= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 I1Cent= 4 NGrid= 0. Petite list used in FoFCou. Initial guess orbital symmetries: Occupied (AU) (AG) (AU) (AG) (AU) (AG) (AG) (AU) (AG) (AU) (AG) (AU) (AU) (AG) (AU) (AG) (AU) (AG) (AU) (AG) (AU) (AG) (AU) (AG) (AG) Virtual (AG) (AG) (AU) (AU) (AU) (AG) (AU) (AU) (AU) (AG) (AG) (AU) (AG) (AU) (AG) (AG) (AU) (AU) (AG) (AG) (AU) (AG) (AU) (AU) (AG) (AU) (AG) (AU) (AG) (AU) (AG) (AU) (AG) (AU) (AU) (AG) (AG) (AU) (AG) (AU) (AG) (AU) (AG) (AU) (AU) (AG) (AU) (AG) (AG) (AU) (AG) (AG) (AU) (AG) (AU) (AG) (AU) The electronic state of the initial guess is 1-AG. 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. Keep R1 ints in memory in canonical form, NReq=6631518. SCF Done: E(RHF) = -233.980412611 A.U. after 10 cycles Convg = 0.9273D-08 -V/T = 1.9951 ********************************************************************** Population analysis using the SCF density. ********************************************************************** Orbital symmetries: Occupied (AU) (AG) (AU) (AG) (AU) (AG) (AG) (AU) (AG) (AU) (AG) (AU) (AU) (AG) (AU) (AG) (AU) (AG) (AU) (AG) (AG) (AU) (AU) (AG) (AG) Virtual (AG) (AU) (AG) (AU) (AU) (AG) (AU) (AG) (AU) (AU) (AG) (AU) (AG) (AG) (AU) (AG) (AU) (AU) (AG) (AG) (AU) (AG) (AU) (AU) (AG) (AG) (AU) (AU) (AG) (AU) (AG) (AU) (AG) (AU) (AU) (AG) (AG) (AU) (AG) (AU) (AG) (AU) (AG) (AU) (AU) (AG) (AU) (AG) (AG) (AU) (AG) (AG) (AU) (AG) (AU) (AG) (AU) The electronic state is 1-AG. Alpha occ. eigenvalues -- -11.14732 -11.14712 -11.13271 -11.13251 -11.12195 Alpha occ. eigenvalues -- -11.12191 -1.12769 -1.09029 -0.97565 -0.88350 Alpha occ. eigenvalues -- -0.80509 -0.77048 -0.67025 -0.64934 -0.64463 Alpha occ. eigenvalues -- -0.59380 -0.57663 -0.55058 -0.52250 -0.51042 Alpha occ. eigenvalues -- -0.46628 -0.45875 -0.45314 -0.43932 -0.42083 Alpha virt. eigenvalues -- 0.26535 0.27446 0.28157 0.28681 0.31003 Alpha virt. eigenvalues -- 0.32210 0.34420 0.35830 0.36368 0.39984 Alpha virt. eigenvalues -- 0.40208 0.42533 0.43955 0.45624 0.47451 Alpha virt. eigenvalues -- 0.49756 0.49818 0.51727 0.56015 0.86272 Alpha virt. eigenvalues -- 0.87695 0.91484 0.93549 0.98402 1.00065 Alpha virt. eigenvalues -- 1.02738 1.03303 1.09546 1.12930 1.16114 Alpha virt. eigenvalues -- 1.19713 1.23953 1.25884 1.26444 1.27882 Alpha virt. eigenvalues -- 1.29508 1.33507 1.33778 1.35837 1.38822 Alpha virt. eigenvalues -- 1.38890 1.40059 1.42230 1.45218 1.46468 Alpha virt. eigenvalues -- 1.48230 1.49266 1.49314 1.53611 1.55115 Alpha virt. eigenvalues -- 1.61097 1.86047 2.09877 2.23215 2.48898 Alpha virt. eigenvalues -- 2.57943 2.69562 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 C 5.640005 0.412296 0.406716 0.279652 -0.041670 -0.048179 2 H 0.412296 0.506307 -0.020935 -0.041114 -0.001871 -0.001262 3 H 0.406716 -0.020935 0.516128 -0.042525 -0.001426 0.003281 4 C 0.279652 -0.041114 -0.042525 5.523681 0.389526 0.387645 5 H -0.041670 -0.001871 -0.001426 0.389526 0.499198 -0.023481 6 H -0.048179 -0.001262 0.003281 0.387645 -0.023481 0.521800 7 C 0.076840 -0.065311 -0.067836 -0.111012 0.005987 -0.001136 8 H -0.073571 0.004268 0.004593 -0.021502 0.000654 0.001987 9 H -0.065159 0.004156 -0.011941 0.005497 -0.000172 -0.000010 10 H -0.064059 -0.012538 0.004140 0.005230 -0.000136 0.000273 11 C -0.087499 0.003675 -0.002330 0.250872 -0.043894 -0.050240 12 H -0.002249 -0.000065 0.000130 -0.043894 0.002693 -0.001106 13 H -0.000960 0.000004 0.002898 -0.050240 -0.001106 0.003503 14 C 0.004601 -0.000068 -0.000032 -0.087499 -0.002249 -0.000960 15 H -0.000068 0.000001 0.000001 0.003675 -0.000065 0.000004 16 H -0.000032 0.000001 0.000002 -0.002330 0.000130 0.002898 17 C -0.000039 0.000001 0.000014 -0.015589 -0.001435 0.000558 18 H -0.000001 0.000000 0.000000 0.000358 0.000146 -0.000016 19 H 0.000008 0.000000 0.000000 0.000458 -0.000519 -0.000040 20 H -0.000110 0.000009 0.000028 -0.003518 0.003413 0.000400 7 8 9 10 11 12 1 C 0.076840 -0.073571 -0.065159 -0.064059 -0.087499 -0.002249 2 H -0.065311 0.004268 0.004156 -0.012538 0.003675 -0.000065 3 H -0.067836 0.004593 -0.011941 0.004140 -0.002330 0.000130 4 C -0.111012 -0.021502 0.005497 0.005230 0.250872 -0.043894 5 H 0.005987 0.000654 -0.000172 -0.000136 -0.043894 0.002693 6 H -0.001136 0.001987 -0.000010 0.000273 -0.050240 -0.001106 7 C 5.573140 0.405696 0.396922 0.396452 -0.015589 -0.001435 8 H 0.405696 0.516581 -0.024681 -0.023686 -0.003518 0.003413 9 H 0.396922 -0.024681 0.514744 -0.021654 0.000458 -0.000519 10 H 0.396452 -0.023686 -0.021654 0.512133 0.000358 0.000146 11 C -0.015589 -0.003518 0.000458 0.000358 5.523681 0.389526 12 H -0.001435 0.003413 -0.000519 0.000146 0.389526 0.499198 13 H 0.000558 0.000400 -0.000040 -0.000016 0.387645 -0.023481 14 C -0.000039 -0.000110 0.000008 -0.000001 0.279652 -0.041670 15 H 0.000001 0.000009 0.000000 0.000000 -0.041114 -0.001871 16 H 0.000014 0.000028 0.000000 0.000000 -0.042525 -0.001426 17 C -0.000032 -0.000016 0.000000 0.000000 -0.111012 0.005987 18 H 0.000000 0.000000 0.000000 0.000000 0.005230 -0.000136 19 H 0.000000 0.000000 0.000000 0.000000 0.005497 -0.000172 20 H -0.000016 -0.000002 0.000000 0.000000 -0.021502 0.000654 13 14 15 16 17 18 1 C -0.000960 0.004601 -0.000068 -0.000032 -0.000039 -0.000001 2 H 0.000004 -0.000068 0.000001 0.000001 0.000001 0.000000 3 H 0.002898 -0.000032 0.000001 0.000002 0.000014 0.000000 4 C -0.050240 -0.087499 0.003675 -0.002330 -0.015589 0.000358 5 H -0.001106 -0.002249 -0.000065 0.000130 -0.001435 0.000146 6 H 0.003503 -0.000960 0.000004 0.002898 0.000558 -0.000016 7 C 0.000558 -0.000039 0.000001 0.000014 -0.000032 0.000000 8 H 0.000400 -0.000110 0.000009 0.000028 -0.000016 0.000000 9 H -0.000040 0.000008 0.000000 0.000000 0.000000 0.000000 10 H -0.000016 -0.000001 0.000000 0.000000 0.000000 0.000000 11 C 0.387645 0.279652 -0.041114 -0.042525 -0.111012 0.005230 12 H -0.023481 -0.041670 -0.001871 -0.001426 0.005987 -0.000136 13 H 0.521800 -0.048179 -0.001262 0.003281 -0.001136 0.000273 14 C -0.048179 5.640005 0.412296 0.406716 0.076840 -0.064059 15 H -0.001262 0.412296 0.506307 -0.020935 -0.065311 -0.012538 16 H 0.003281 0.406716 -0.020935 0.516128 -0.067836 0.004140 17 C -0.001136 0.076840 -0.065311 -0.067836 5.573140 0.396452 18 H 0.000273 -0.064059 -0.012538 0.004140 0.396452 0.512133 19 H -0.000010 -0.065159 0.004156 -0.011941 0.396922 -0.021654 20 H 0.001987 -0.073571 0.004268 0.004593 0.405696 -0.023686 19 20 1 C 0.000008 -0.000110 2 H 0.000000 0.000009 3 H 0.000000 0.000028 4 C 0.000458 -0.003518 5 H -0.000519 0.003413 6 H -0.000040 0.000400 7 C 0.000000 -0.000016 8 H 0.000000 -0.000002 9 H 0.000000 0.000000 10 H 0.000000 0.000000 11 C 0.005497 -0.021502 12 H -0.000172 0.000654 13 H -0.000010 0.001987 14 C -0.065159 -0.073571 15 H 0.004156 0.004268 16 H -0.011941 0.004593 17 C 0.396922 0.405696 18 H -0.021654 -0.023686 19 H 0.514744 -0.024681 20 H -0.024681 0.516581 Mulliken atomic charges: 1 1 C -0.436523 2 H 0.212444 3 H 0.209093 4 C -0.427372 5 H 0.216277 6 H 0.204082 7 C -0.593206 8 H 0.209456 9 H 0.202391 10 H 0.203358 11 C -0.427372 12 H 0.216277 13 H 0.204082 14 C -0.436523 15 H 0.212444 16 H 0.209093 17 C -0.593206 18 H 0.203358 19 H 0.202391 20 H 0.209456 Sum of Mulliken atomic charges = 0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 C -0.014986 4 C -0.007014 7 C 0.022000 11 C -0.007014 14 C -0.014986 17 C 0.022000 Sum of Mulliken charges with hydrogens summed into heavy atoms = 0.00000 Electronic spatial extent (au): = 860.4782 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= 0.0000 Y= 0.0000 Z= 0.0000 Tot= 0.0000 Quadrupole moment (field-independent basis, Debye-Ang): XX= -41.6247 YY= -43.6931 ZZ= -41.9911 XY= 1.1132 XZ= -0.0254 YZ= -0.2848 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= 0.8116 YY= -1.2568 ZZ= 0.4452 XY= 1.1132 XZ= -0.0254 YZ= -0.2848 Octapole moment (field-independent basis, Debye-Ang**2): XXX= 0.0000 YYY= 0.0000 ZZZ= 0.0000 XYY= 0.0000 XXY= 0.0000 XXZ= 0.0000 XZZ= 0.0000 YZZ= 0.0000 YYZ= 0.0000 XYZ= 0.0000 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -141.2319 YYYY= -411.8534 ZZZZ= -643.9627 XXXY= 59.8022 XXXZ= 71.5666 YYYX= 67.9203 YYYZ= -172.2350 ZZZX= 58.9144 ZZZY= -163.0146 XXYY= -92.2036 XXZZ= -126.8030 YYZZ= -178.8044 XXYZ= -53.7513 YYXZ= 31.3474 ZZXY= 20.5189 N-N= 2.632406372861D+02 E-N=-1.070738225521D+03 KE= 2.351214773024D+02 Symmetry AG KE= 1.190286294429D+02 Symmetry AU KE= 1.160928478596D+02 1|1|UNPC-CHWS-275|SP|RHF|3-21G|C6H14|FYL10|27-Nov-2012|0||# hf/3-21g g eom=connectivity||Title Card Required||0,1|C,0,1.86875158,1.79355173,- 0.05728518|H,0,2.27838962,2.28176028,-0.91679032|H,0,0.82533921,1.6142 8753,-0.21238183|C,0,2.05714346,2.68992859,1.18070392|H,0,1.55426479,3 .62168025,1.02626338|H,0,3.10055583,2.86919279,1.33580058|C,0,2.505668 57,0.61344906,0.13832026|H,0,2.97181668,0.61508859,1.10144188|H,0,1.79 750865,-0.1869829,0.08618397|H,0,3.25055906,0.48048984,-0.61822452|C,0 ,1.46757096,1.9872733,2.41774871|H,0,1.97044964,1.05552164,2.57218925| H,0,0.42415859,1.80800911,2.26265205|C,0,1.65596284,2.88365017,3.65573 781|H,0,1.24632481,2.39544162,4.51524295|H,0,2.69937521,3.06291436,3.8 1083446|C,0,1.01904585,4.06375283,3.46013236|H,0,0.27415536,4.19671205 ,4.21667715|H,0,1.72720577,4.8641848,3.51226866|H,0,0.55289774,4.06211 33,2.49701075||Version=EM64W-G09RevC.01|State=1-AG|HF=-233.9804126|RMS D=9.273e-009|Dipole=0.,0.,0.|Quadrupole=0.6034138,-0.9344059,0.3309921 ,0.8276414,-0.0188764,-0.2117584|PG=CI [X(C6H14)]||@ Everything starts as somebody's daydream. -- Larry Niven Job cpu time: 0 days 0 hours 0 minutes 4.0 seconds. File lengths (MBytes): RWF= 5 Int= 0 D2E= 0 Chk= 1 Scr= 1 Normal termination of Gaussian 09 at Tue Nov 27 13:33:10 2012.