Default is to use a total of 4 processors: 4 via shared-memory 1 via Linda Entering Link 1 = C:\G09W\l1.exe PID= 1968. 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. 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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 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: EM64W-G09RevD.01 13-Apr-2013 24-Feb-2017 ****************************************** %chk=\\icnas1.cc.ic.ac.uk\rcr16\Desktop\1styearlab\RCR16_CH2O_OPT2.chk Default route: MaxDisk=10GB ------------------------ # freq rb3lyp/6-31g(d,p) ------------------------ 1/10=4,30=1,38=1/1,3; 2/12=2,17=6,18=5,40=1/2; 3/5=1,6=6,7=101,11=2,16=1,25=1,30=1,71=2,74=-5,116=1,140=1/1,2,3; 4//1; 5/5=2,38=5,98=1/2; 8/6=4,10=90,11=11/1; 11/6=1,8=1,9=11,15=111,16=1/1,2,10; 10/6=1/2; 6/7=2,8=2,9=2,10=2,18=1,28=1/1; 7/8=1,10=1,25=1/1,2,3,16; 1/10=4,30=1/3; 99//99; ------------- RC16_CH2O_OPT ------------- Symbolic Z-matrix: Charge = 0 Multiplicity = 1 C 0. 0. -0.52902 H(Iso=2) 0. 0.93778 -1.12392 H(Iso=2) 0. -0.93778 -1.12392 O 0. 0. 0.67774 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 Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 0.000000 0.000000 -0.529015 2 1 0 0.000000 0.937783 -1.123918 3 1 0 0.000000 -0.937783 -1.123918 4 8 0 0.000000 0.000000 0.677741 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 1 C 0.000000 2 H 1.110561 0.000000 3 H 1.110561 1.875566 0.000000 4 O 1.206756 2.031111 2.031111 0.000000 Stoichiometry CH2O Framework group C2V[C2(CO),SGV(H2)] Deg. of freedom 3 Full point group C2V NOp 4 Largest Abelian subgroup C2V NOp 4 Largest concise Abelian subgroup C2 NOp 2 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 0.000000 0.000000 -0.529015 2 1 0 0.000000 0.937783 -1.123918 3 1 0 0.000000 -0.937783 -1.123918 4 8 0 0.000000 0.000000 0.677741 --------------------------------------------------------------------- Rotational constants (GHZ): 142.6596238 31.9989198 26.1364476 Standard basis: 6-31G(d,p) (6D, 7F) There are 20 symmetry adapted cartesian basis functions of A1 symmetry. There are 3 symmetry adapted cartesian basis functions of A2 symmetry. There are 7 symmetry adapted cartesian basis functions of B1 symmetry. There are 10 symmetry adapted cartesian basis functions of B2 symmetry. There are 20 symmetry adapted basis functions of A1 symmetry. There are 3 symmetry adapted basis functions of A2 symmetry. There are 7 symmetry adapted basis functions of B1 symmetry. There are 10 symmetry adapted basis functions of B2 symmetry. 40 basis functions, 70 primitive gaussians, 40 cartesian basis functions 8 alpha electrons 8 beta electrons nuclear repulsion energy 31.2172437567 Hartrees. NAtoms= 4 NActive= 4 NUniq= 3 SFac= 1.78D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 2 integral format. Two-electron integral symmetry is turned on. One-electron integrals computed using PRISM. NBasis= 40 RedAO= T EigKep= 1.69D-02 NBF= 20 3 7 10 NBsUse= 40 1.00D-06 EigRej= -1.00D+00 NBFU= 20 3 7 10 ExpMin= 1.61D-01 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=1 IRadAn= 1 AccDes= 0.00D+00 Harris functional with IExCor= 402 and IRadAn= 1 diagonalized for initial guess. HarFok: IExCor= 402 AccDes= 0.00D+00 IRadAn= 1 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Initial guess orbital symmetries: Occupied (A1) (A1) (A1) (A1) (B2) (A1) (B1) (B2) Virtual (B1) (A1) (B2) (A1) (B1) (A1) (B2) (A1) (B2) (A1) (A1) (B1) (B2) (A2) (A1) (B1) (A1) (B2) (A2) (A1) (B2) (A1) (B1) (A2) (B1) (B2) (A1) (A1) (A1) (B2) (A1) (A1) The electronic state of the initial guess is 1-A1. Keep R1 ints in memory in symmetry-blocked form, NReq=1224018. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RB3LYP) = -114.503199172 A.U. after 12 cycles NFock= 12 Conv=0.13D-08 -V/T= 2.0090 DoSCS=F DFT=T ScalE2(SS,OS)= 1.000000 1.000000 Range of M.O.s used for correlation: 1 40 NBasis= 40 NAE= 8 NBE= 8 NFC= 0 NFV= 0 NROrb= 40 NOA= 8 NOB= 8 NVA= 32 NVB= 32 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 G2DrvN: will do 5 centers at a time, making 1 passes. Calling FoFCou, ICntrl= 3107 FMM=F I1Cent= 0 AccDes= 0.00D+00. End of G2Drv F.D. properties file 721 does not exist. End of G2Drv F.D. properties file 722 does not exist. End of G2Drv F.D. properties file 788 does not exist. IDoAtm=1111 Differentiating once with respect to electric field. with respect to dipole field. Differentiating once with respect to nuclear coordinates. Keep R1 ints in memory in symmetry-blocked form, NReq=1199937. There are 12 degrees of freedom in the 1st order CPHF. IDoFFX=4 NUNeed= 12. 12 vectors produced by pass 0 Test12= 2.13D-15 8.33D-09 XBig12= 1.72D+01 3.17D+00. AX will form 12 AO Fock derivatives at one time. 12 vectors produced by pass 1 Test12= 2.13D-15 8.33D-09 XBig12= 4.73D+00 8.09D-01. 12 vectors produced by pass 2 Test12= 2.13D-15 8.33D-09 XBig12= 2.19D-02 5.21D-02. 12 vectors produced by pass 3 Test12= 2.13D-15 8.33D-09 XBig12= 3.55D-05 1.71D-03. 12 vectors produced by pass 4 Test12= 2.13D-15 8.33D-09 XBig12= 3.09D-08 5.84D-05. 6 vectors produced by pass 5 Test12= 2.13D-15 8.33D-09 XBig12= 6.73D-11 3.32D-06. 1 vectors produced by pass 6 Test12= 2.13D-15 8.33D-09 XBig12= 6.85D-14 9.98D-08. InvSVY: IOpt=1 It= 1 EMax= 8.88D-16 Solved reduced A of dimension 67 with 12 vectors. Isotropic polarizability for W= 0.000000 13.26 Bohr**3. End of Minotr F.D. properties file 721 does not exist. End of Minotr F.D. properties file 722 does not exist. End of Minotr F.D. properties file 788 does not exist. ********************************************************************** Population analysis using the SCF density. ********************************************************************** Orbital symmetries: Occupied (A1) (A1) (A1) (A1) (B2) (A1) (B1) (B2) Virtual (B1) (A1) (B2) (A1) (B1) (B2) (A1) (A1) (B2) (A1) (A1) (B1) (B2) (A2) (A1) (B1) (A1) (B2) (A2) (A1) (B2) (A1) (B1) (A2) (B1) (B2) (A1) (A1) (A1) (B2) (A1) (A1) The electronic state is 1-A1. Alpha occ. eigenvalues -- -19.17003 -10.28952 -1.06085 -0.63678 -0.49431 Alpha occ. eigenvalues -- -0.44941 -0.39919 -0.26816 Alpha virt. eigenvalues -- -0.04309 0.10133 0.18193 0.21797 0.50675 Alpha virt. eigenvalues -- 0.61961 0.62366 0.68738 0.80124 0.82921 Alpha virt. eigenvalues -- 0.87937 0.95784 1.05735 1.36816 1.37523 Alpha virt. eigenvalues -- 1.46694 1.66706 1.80070 1.81203 1.98018 Alpha virt. eigenvalues -- 2.01264 2.10152 2.23914 2.52096 2.61751 Alpha virt. eigenvalues -- 2.70314 2.81118 2.92254 3.24799 3.48574 Alpha virt. eigenvalues -- 3.71683 4.24657 Condensed to atoms (all electrons): 1 2 3 4 1 C 4.578405 0.341704 0.341704 0.561933 2 H 0.341704 0.727469 -0.097010 -0.053801 3 H 0.341704 -0.097010 0.727469 -0.053801 4 O 0.561933 -0.053801 -0.053801 7.885197 Mulliken charges: 1 1 C 0.176254 2 H 0.081637 3 H 0.081637 4 O -0.339529 Sum of Mulliken charges = 0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 C 0.339529 4 O -0.339529 APT charges: 1 1 C 0.676689 2 H -0.072080 3 H -0.072080 4 O -0.532529 Sum of APT charges = 0.00000 APT charges with hydrogens summed into heavy atoms: 1 1 C 0.532529 4 O -0.532529 Electronic spatial extent (au): = 60.3198 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= 0.0000 Y= 0.0000 Z= -2.1829 Tot= 2.1829 Quadrupole moment (field-independent basis, Debye-Ang): XX= -11.3937 YY= -11.4987 ZZ= -11.9415 XY= 0.0000 XZ= 0.0000 YZ= 0.0000 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= 0.2176 YY= 0.1126 ZZ= -0.3302 XY= 0.0000 XZ= 0.0000 YZ= 0.0000 Octapole moment (field-independent basis, Debye-Ang**2): XXX= 0.0000 YYY= 0.0000 ZZZ= 1.2792 XYY= 0.0000 XXY= 0.0000 XXZ= 0.9208 XZZ= 0.0000 YZZ= 0.0000 YYZ= 0.0502 XYZ= 0.0000 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -9.1639 YYYY= -18.0697 ZZZZ= -44.5739 XXXY= 0.0000 XXXZ= 0.0000 YYYX= 0.0000 YYYZ= 0.0000 ZZZX= 0.0000 ZZZY= 0.0000 XXYY= -4.7611 XXZZ= -8.9287 YYZZ= -10.1682 XXYZ= 0.0000 YYXZ= 0.0000 ZZXY= 0.0000 N-N= 3.121724375671D+01 E-N=-3.308431301535D+02 KE= 1.134840358942D+02 Symmetry A1 KE= 1.031412675414D+02 Symmetry A2 KE= 3.501395724396D-35 Symmetry B1 KE= 3.634083435794D+00 Symmetry B2 KE= 6.708684916980D+00 Exact polarizability: 6.976 0.000 14.276 0.000 0.000 18.520 Approx polarizability: 9.361 0.000 17.067 0.000 0.000 31.313 Calling FoFJK, ICntrl= 100127 FMM=F ISym2X=1 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. Full mass-weighted force constant matrix: Low frequencies --- -0.0015 0.0008 0.0013 8.9917 13.9792 19.2114 Low frequencies --- 963.7087 1006.2492 1134.0435 Diagonal vibrational polarizability: 0.0000400 0.8923499 1.0140139 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering activities (A**4/AMU), depolarization ratios for plane and unpolarized incident light, reduced masses (AMU), force constants (mDyne/A), and normal coordinates: 1 2 3 B1 B2 A1 Frequencies -- 963.7087 1006.2492 1134.0435 Red. masses -- 3.2158 2.8898 2.1992 Frc consts -- 1.7596 1.7240 1.6664 IR Inten -- 0.0014 11.3993 0.8832 Atom AN X Y Z X Y Z X Y Z 1 6 0.33 0.00 0.00 0.00 0.24 0.00 0.00 0.00 -0.06 2 1 -0.66 0.00 0.00 0.00 -0.13 -0.67 0.00 0.39 0.59 3 1 -0.66 0.00 0.00 0.00 -0.13 0.67 0.00 -0.39 0.59 4 8 -0.08 0.00 0.00 0.00 -0.15 0.00 0.00 0.00 -0.10 4 5 6 A1 A1 B2 Frequencies -- 1788.1241 2119.8337 2206.6153 Red. masses -- 6.1684 2.5182 2.4493 Frc consts -- 11.6202 6.6671 7.0265 IR Inten -- 63.5626 76.9036 106.6387 Atom AN X Y Z X Y Z X Y Z 1 6 0.00 0.00 0.45 0.00 0.00 0.21 0.00 0.21 0.00 2 1 0.00 -0.53 0.21 0.00 0.58 -0.37 0.00 -0.60 0.35 3 1 0.00 0.53 0.21 0.00 -0.58 -0.37 0.00 -0.60 -0.35 4 8 0.00 0.00 -0.39 0.00 0.00 -0.07 0.00 -0.01 0.00 ------------------- - Thermochemistry - ------------------- Temperature 298.150 Kelvin. Pressure 1.00000 Atm. Atom 1 has atomic number 6 and mass 12.00000 Atom 2 has atomic number 1 and mass 2.01410 Atom 3 has atomic number 1 and mass 2.01410 Atom 4 has atomic number 8 and mass 15.99491 Molecular mass: 32.02312 amu. Principal axes and moments of inertia in atomic units: 1 2 3 Eigenvalues -- 12.65068 56.40007 69.05075 X 0.00000 0.00000 1.00000 Y 0.00000 1.00000 0.00000 Z 1.00000 0.00000 0.00000 This molecule is an asymmetric top. Rotational symmetry number 2. Rotational temperatures (Kelvin) 6.84657 1.53570 1.25435 Rotational constants (GHZ): 142.65962 31.99892 26.13645 Zero-point vibrational energy 55139.3 (Joules/Mol) 13.17861 (Kcal/Mol) Vibrational temperatures: 1386.56 1447.77 1631.63 2572.71 3049.96 (Kelvin) 3174.82 Zero-point correction= 0.021001 (Hartree/Particle) Thermal correction to Energy= 0.023936 Thermal correction to Enthalpy= 0.024880 Thermal correction to Gibbs Free Energy= -0.000655 Sum of electronic and zero-point Energies= -114.482198 Sum of electronic and thermal Energies= -114.479263 Sum of electronic and thermal Enthalpies= -114.478319 Sum of electronic and thermal Free Energies= -114.503854 E (Thermal) CV S KCal/Mol Cal/Mol-Kelvin Cal/Mol-Kelvin Total 15.020 7.042 53.744 Electronic 0.000 0.000 0.000 Translational 0.889 2.981 36.324 Rotational 0.889 2.981 17.161 Vibrational 13.243 1.081 0.258 Q Log10(Q) Ln(Q) Total Bot 0.200108D+01 0.301264 0.693686 Total V=0 0.914626D+10 9.961243 22.936610 Vib (Bot) 0.223623D-09 -9.650484 -22.221061 Vib (V=0) 0.102210D+01 0.009495 0.021864 Electronic 0.100000D+01 0.000000 0.000000 Translational 0.712280D+07 6.852651 15.778811 Rotational 0.125631D+04 3.099097 7.135935 ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 0.000000000 0.000000000 0.000117935 2 1 0.000000000 -0.000065917 0.000035717 3 1 0.000000000 0.000065917 0.000035717 4 8 0.000000000 0.000000000 -0.000189368 ------------------------------------------------------------------- Cartesian Forces: Max 0.000189368 RMS 0.000071304 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Search for a local minimum. Step number 1 out of a maximum of 2 All quantities printed in internal units (Hartrees-Bohrs-Radians) Second derivative matrix not updated -- analytic derivatives used. The second derivative matrix: X1 Y1 Z1 X2 Y2 X1 0.17440 Y1 0.00000 0.58146 Z1 0.00000 0.00000 1.01637 X2 -0.05841 0.00000 0.00000 0.01958 Y2 0.00000 -0.23684 0.07586 0.00000 0.23886 Z2 0.00000 0.08091 -0.10050 0.00000 -0.10586 X3 -0.05841 0.00000 0.00000 0.01955 0.00000 Y3 0.00000 -0.23684 -0.07586 0.00000 -0.01906 Z3 0.00000 -0.08091 -0.10050 0.00000 0.01163 X4 -0.05759 0.00000 0.00000 0.01928 0.00000 Y4 0.00000 -0.10778 0.00000 0.00000 0.01704 Z4 0.00000 0.00000 -0.81537 0.00000 0.01838 Z2 X3 Y3 Z3 X4 Z2 0.13207 X3 0.00000 0.01958 Y3 -0.01163 0.00000 0.23886 Z3 0.01042 0.00000 0.10586 0.13207 X4 0.00000 0.01928 0.00000 0.00000 0.01903 Y4 0.03658 0.00000 0.01704 -0.03658 0.00000 Z4 -0.04198 0.00000 -0.01838 -0.04198 0.00000 Y4 Z4 Y4 0.07370 Z4 0.00000 0.89933 ITU= 0 Eigenvalues --- 0.12521 0.14662 0.19413 0.36219 0.72545 Eigenvalues --- 1.77745 Angle between quadratic step and forces= 42.15 degrees. ClnCor: largest displacement from symmetrization is 1.20D-13 for atom 3. Linear search not attempted -- first point. ClnCor: largest displacement from symmetrization is 4.44D-16 for atom 2. TrRot= 0.000000 0.000000 -0.000037 0.000000 0.000000 0.000000 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) X1 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 Y1 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 Z1 -0.99969 0.00012 0.00000 0.00006 0.00003 -0.99967 X2 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 Y2 1.77215 -0.00007 0.00000 -0.00023 -0.00023 1.77193 Z2 -2.12390 0.00004 0.00000 0.00011 0.00007 -2.12383 X3 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 Y3 -1.77215 0.00007 0.00000 0.00023 0.00023 -1.77193 Z3 -2.12390 0.00004 0.00000 0.00011 0.00007 -2.12383 X4 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 Y4 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 Z4 1.28074 -0.00019 0.00000 -0.00013 -0.00017 1.28058 Item Value Threshold Converged? Maximum Force 0.000189 0.000450 YES RMS Force 0.000071 0.000300 YES Maximum Displacement 0.000226 0.001800 YES RMS Displacement 0.000109 0.001200 YES Predicted change in Energy=-3.510423D-08 Optimization completed. -- Stationary point found. GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad 1|1| IMPERIAL COLLEGE-CHWS-137|Freq|RB3LYP|6-31G(d,p)|C1H2O1|RCR16|24- Feb-2017|0||# freq rb3lyp/6-31g(d,p)||RC16_CH2O_OPT||0,1|C,0.,0.,-0.52 9015|H,0.,0.937783,-1.123918|H,0.,-0.937783,-1.123918|O,0.,0.,0.677741 ||Version=EM64W-G09RevD.01|State=1-A1|HF=-114.5031992|RMSD=1.323e-009| RMSF=7.130e-005|ZeroPoint=0.0210015|Thermal=0.0239362|Dipole=0.,0.,-0. 8588002|DipoleDeriv=0.1796604,0.,0.,0.,0.8610922,0.,0.,0.,0.9893151,0. 0659694,0.,0.,0.,-0.2181347,0.1143645,0.,0.1073073,-0.0640756,0.065969 4,0.,0.,0.,-0.2181347,-0.1143645,0.,-0.1073073,-0.0640756,-0.3115992,0 .,0.,0.,-0.4248229,0.,0.,0.,-0.8611639|Polar=6.9755198,0.,14.2763336,0 .,0.,18.5197712|PG=C02V [C2(C1O1),SGV(H2)]|NImag=0||0.17439880,0.,0.58 146190,0.,0.,1.01637177,-0.05840561,0.,0.,0.01957765,0.,-0.23683854,0. 07585596,0.,0.23886131,0.,0.08090780,-0.10050111,0.,-0.10586294,0.1320 6640,-0.05840561,0.,0.,0.01954951,0.,0.,0.01957765,0.,-0.23683854,-0.0 7585596,0.,-0.01906398,-0.01162876,0.,0.23886131,0.,-0.08090780,-0.100 50111,0.,0.01162876,0.01041683,0.,0.10586294,0.13206640,-0.05758757,0. ,0.,0.01927845,0.,0.,0.01927845,0.,0.,0.01903066,0.,-0.10778481,0.,0., 0.01704121,0.03658390,0.,0.01704121,-0.03658390,0.,0.07370240,0.,0.,-0 .81536955,0.,0.01837822,-0.04198213,0.,-0.01837822,-0.04198213,0.,0.,0 .89933380||0.,0.,-0.00011793,0.,0.00006592,-0.00003572,0.,-0.00006592, -0.00003572,0.,0.,0.00018937|||@ IF GOD HAD MEANT MAN TO SEE THE SUN RISE, HE WOULD HAVE SCHEDULED IT FOR A LATER HOUR. Job cpu time: 0 days 0 hours 0 minutes 8.0 seconds. File lengths (MBytes): RWF= 5 Int= 0 D2E= 0 Chk= 1 Scr= 1 Normal termination of Gaussian 09 at Fri Feb 24 10:12:14 2017.