Entering Link 1 = C:\G09W\l1.exe PID= 3828. 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 05-Dec-2012 ****************************************** %chk=H:\New folder\NH3VIB.chk ------------------------------------------ # freq rb3lyp/6-31g(d,p) geom=connectivity ------------------------------------------ 1/10=4,30=1,38=1,57=2/1,3; 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=1/1,2,3; 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; ------- nh3 vib ------- Charge = 0 Multiplicity = 1 Symbolic Z-Matrix: N 0. 0.1195 0. H -0.46849 -0.27886 0.81129 H -0.46849 -0.27886 -0.81129 H 0.93698 -0.27876 0. 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 7 0 0.000000 0.119497 0.000000 2 1 0 -0.468491 -0.278863 0.811289 3 1 0 -0.468491 -0.278863 -0.811289 4 1 0 0.936983 -0.278755 0.000000 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 1 N 0.000000 2 H 1.018020 0.000000 3 H 1.018020 1.622578 0.000000 4 H 1.018107 1.622821 1.622821 0.000000 Stoichiometry H3N Framework group CS[SG(HN),X(H2)] Deg. of freedom 4 Full point group CS NOp 2 Largest Abelian subgroup CS NOp 2 Largest concise Abelian subgroup CS NOp 2 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 7 0 0.000000 0.119497 0.000000 2 1 0 -0.468491 -0.278862 0.811289 3 1 0 -0.468491 -0.278862 -0.811289 4 1 0 0.936983 -0.278756 0.000000 --------------------------------------------------------------------- Rotational constants (GHZ): 293.6189877 293.5287375 190.4295210 Standard basis: 6-31G(d,p) (6D, 7F) There are 20 symmetry adapted basis functions of A' symmetry. There are 10 symmetry adapted basis functions of A" symmetry. Integral buffers will be 131072 words long. Raffenetti 2 integral format. Two-electron integral symmetry is turned on. 30 basis functions, 49 primitive gaussians, 30 cartesian basis functions 5 alpha electrons 5 beta electrons nuclear repulsion energy 11.8940085406 Hartrees. NAtoms= 4 NActive= 4 NUniq= 3 SFac= 1.78D+00 NAtFMM= 60 NAOKFM=F Big=F One-electron integrals computed using PRISM. NBasis= 30 RedAO= T NBF= 20 10 NBsUse= 30 1.00D-06 NBFU= 20 10 Harris functional with IExCor= 402 diagonalized for initial guess. ExpMin= 1.61D-01 ExpMax= 4.17D+03 ExpMxC= 6.27D+02 IAcc=1 IRadAn= 1 AccDes= 0.00D+00 HarFok: IExCor= 402 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 (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') 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. Keep R1 ints in memory in canonical form, NReq=1020829. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RB3LYP) = -56.5577683739 A.U. after 10 cycles Convg = 0.3539D-09 -V/T = 2.0091 Range of M.O.s used for correlation: 1 30 NBasis= 30 NAE= 5 NBE= 5 NFC= 0 NFV= 0 NROrb= 30 NOA= 5 NOB= 5 NVA= 25 NVB= 25 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 doing MaxLOS=2. Calling FoFCou, ICntrl= 3107 FMM=F I1Cent= 0 AccDes= 0.00D+00. FoFDir/FoFCou used for L=0 through L=2. End of G2Drv Frequency-dependent properties file 721 does not exist. End of G2Drv Frequency-dependent properties file 722 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 canonical form, NReq=929719. There are 12 degrees of freedom in the 1st order CPHF. IDoFFX=4. 12 vectors produced by pass 0 Test12= 1.04D-15 8.33D-09 XBig12= 4.73D+00 1.32D+00. AX will form 12 AO Fock derivatives at one time. 12 vectors produced by pass 1 Test12= 1.04D-15 8.33D-09 XBig12= 3.35D-01 2.78D-01. 12 vectors produced by pass 2 Test12= 1.04D-15 8.33D-09 XBig12= 2.63D-03 1.94D-02. 12 vectors produced by pass 3 Test12= 1.04D-15 8.33D-09 XBig12= 1.36D-06 4.94D-04. 10 vectors produced by pass 4 Test12= 1.04D-15 8.33D-09 XBig12= 3.60D-10 1.06D-05. 4 vectors produced by pass 5 Test12= 1.04D-15 8.33D-09 XBig12= 9.44D-14 1.22D-07. Inverted reduced A of dimension 62 with in-core refinement. Isotropic polarizability for W= 0.000000 8.58 Bohr**3. End of Minotr Frequency-dependent properties file 721 does not exist. End of Minotr Frequency-dependent properties file 722 does not exist. ********************************************************************** Population analysis using the SCF density. ********************************************************************** Orbital symmetries: Occupied (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') The electronic state is 1-A'. Alpha occ. eigenvalues -- -14.30576 -0.84476 -0.45024 -0.45021 -0.25335 Alpha virt. eigenvalues -- 0.07980 0.16916 0.16918 0.67836 0.67843 Alpha virt. eigenvalues -- 0.71433 0.87547 0.87549 0.88585 1.13418 Alpha virt. eigenvalues -- 1.41856 1.41863 1.82960 2.09410 2.24272 Alpha virt. eigenvalues -- 2.24292 2.34545 2.34550 2.79378 2.94998 Alpha virt. eigenvalues -- 2.95012 3.19800 3.42911 3.42925 3.90420 Condensed to atoms (all electrons): 1 2 3 4 1 N 6.703277 0.337839 0.337839 0.337831 2 H 0.337839 0.488010 -0.032398 -0.032379 3 H 0.337839 -0.032398 0.488010 -0.032379 4 H 0.337831 -0.032379 -0.032379 0.487998 Mulliken atomic charges: 1 1 N -0.716786 2 H 0.238928 3 H 0.238928 4 H 0.238929 Sum of Mulliken atomic charges = 0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 N 0.000000 Sum of Mulliken charges with hydrogens summed into heavy atoms = 0.00000 APT atomic charges: 1 1 N -0.390162 2 H 0.130049 3 H 0.130049 4 H 0.130063 Sum of APT charges= 0.00000 APT Atomic charges with hydrogens summed into heavy atoms: 1 1 N 0.000000 2 H 0.000000 3 H 0.000000 4 H 0.000000 Sum of APT charges= 0.00000 Electronic spatial extent (au): = 26.2394 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= 0.0000 Y= -1.8492 Z= 0.0000 Tot= 1.8492 Quadrupole moment (field-independent basis, Debye-Ang): XX= -6.1614 YY= -8.7205 ZZ= -6.1624 XY= 0.0003 XZ= 0.0000 YZ= 0.0000 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= 0.8534 YY= -1.7057 ZZ= 0.8524 XY= 0.0003 XZ= 0.0000 YZ= 0.0000 Octapole moment (field-independent basis, Debye-Ang**2): XXX= 0.7675 YYY= -1.6165 ZZZ= 0.0000 XYY= -0.0001 XXY= -0.8505 XXZ= 0.0000 XZZ= -0.7673 YZZ= -0.8503 YYZ= 0.0000 XYZ= 0.0000 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -9.7196 YYYY= -9.7180 ZZZZ= -9.7193 XXXY= -0.3118 XXXZ= 0.0000 YYYX= 0.0000 YYYZ= 0.0000 ZZZX= 0.0000 ZZZY= 0.0000 XXYY= -3.2738 XXZZ= -3.2398 YYZZ= -3.2736 XXYZ= 0.0000 YYXZ= 0.0000 ZZXY= 0.3118 N-N= 1.189400854055D+01 E-N=-1.556672977713D+02 KE= 5.604593391037D+01 Symmetry A' KE= 5.342561938452D+01 Symmetry A" KE= 2.620314525847D+00 Exact polarizability: 9.830 0.000 6.077 0.000 0.000 9.827 Approx polarizability: 11.927 0.000 7.131 0.000 0.000 11.923 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 --- -13.7087 -6.1355 -0.0010 -0.0008 0.0008 21.0007 Low frequencies --- 1092.3352 1694.3311 1694.4269 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 A' A" A' Frequencies -- 1092.3351 1694.3309 1694.4268 Red. masses -- 1.1799 1.0644 1.0643 Frc consts -- 0.8295 1.8002 1.8004 IR Inten -- 144.6207 13.4948 13.4818 Atom AN X Y Z X Y Z X Y Z 1 7 0.00 0.12 0.00 0.00 0.00 0.07 0.07 0.00 0.00 2 1 0.11 -0.53 -0.18 -0.39 0.22 -0.08 -0.53 -0.13 -0.39 3 1 0.11 -0.53 0.18 0.39 -0.22 -0.08 -0.53 -0.13 0.39 4 1 -0.21 -0.53 0.00 0.00 0.00 -0.76 0.15 0.26 0.00 4 5 6 A' A' A" Frequencies -- 3460.4555 3588.1497 3588.7679 Red. masses -- 1.0273 1.0883 1.0883 Frc consts -- 7.2480 8.2552 8.2580 IR Inten -- 1.0845 0.2917 0.2937 Atom AN X Y Z X Y Z X Y Z 1 7 0.00 -0.04 0.00 0.08 0.00 0.00 0.00 0.00 0.08 2 1 0.27 0.18 -0.47 -0.17 -0.16 0.34 0.34 0.27 -0.56 3 1 0.27 0.18 0.47 -0.17 -0.16 -0.34 -0.34 -0.27 -0.56 4 1 -0.55 0.18 0.00 -0.75 0.31 0.00 0.00 0.00 0.02 ------------------- - Thermochemistry - ------------------- Temperature 298.150 Kelvin. Pressure 1.00000 Atm. Atom 1 has atomic number 7 and mass 14.00307 Atom 2 has atomic number 1 and mass 1.00783 Atom 3 has atomic number 1 and mass 1.00783 Atom 4 has atomic number 1 and mass 1.00783 Molecular mass: 17.02655 amu. Principal axes and moments of inertia in atomic units: 1 2 3 Eigenvalues -- 6.14654 6.14843 9.47721 X 1.00000 0.00000 -0.00011 Y 0.00011 0.00000 1.00000 Z 0.00000 1.00000 0.00000 This molecule is an asymmetric top. Rotational symmetry number 1. Rotational temperatures (Kelvin) 14.09147 14.08714 9.13916 Rotational constants (GHZ): 293.61899 293.52874 190.42952 Zero-point vibrational energy 90428.5 (Joules/Mol) 21.61293 (Kcal/Mol) Vibrational temperatures: 1571.62 2437.76 2437.90 4978.82 5162.54 (Kelvin) 5163.43 Zero-point correction= 0.034442 (Hartree/Particle) Thermal correction to Energy= 0.037305 Thermal correction to Enthalpy= 0.038249 Thermal correction to Gibbs Free Energy= 0.015366 Sum of electronic and zero-point Energies= -56.523326 Sum of electronic and thermal Energies= -56.520463 Sum of electronic and thermal Enthalpies= -56.519519 Sum of electronic and thermal Free Energies= -56.542402 E (Thermal) CV S KCal/Mol Cal/Mol-Kelvin Cal/Mol-Kelvin Total 23.409 6.323 48.162 Electronic 0.000 0.000 0.000 Translational 0.889 2.981 34.441 Rotational 0.889 2.981 13.646 Vibrational 21.632 0.361 0.075 Q Log10(Q) Ln(Q) Total Bot 0.855343D-07 -7.067860 -16.274349 Total V=0 0.594991D+09 8.774511 20.204057 Vib (Bot) 0.144581D-15 -15.839889 -36.472693 Vib (V=0) 0.100573D+01 0.002481 0.005713 Electronic 0.100000D+01 0.000000 0.000000 Translational 0.276150D+07 6.441145 14.831285 Rotational 0.214232D+03 2.330884 5.367059 ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 7 0.000049848 -0.000190593 0.000000000 2 1 -0.000007646 0.000059028 0.000053095 3 1 -0.000007646 0.000059028 -0.000053095 4 1 -0.000034555 0.000072537 0.000000000 ------------------------------------------------------------------- Cartesian Forces: Max 0.000190593 RMS 0.000069516 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 0.63058 Y1 0.00016 0.22907 Z1 0.00000 0.00000 0.63074 X2 -0.13531 -0.05954 0.12984 0.14394 Y2 -0.08940 -0.07638 0.15479 0.07090 0.07612 Z2 0.12983 0.10311 -0.28518 -0.14565 -0.12277 X3 -0.13531 -0.05954 -0.12984 0.00939 0.00714 Y3 -0.08940 -0.07638 -0.15479 0.00714 0.00013 Z3 -0.12983 -0.10311 -0.28518 -0.01858 -0.01723 X4 -0.35997 0.11892 0.00000 -0.01802 0.01136 Y4 0.17863 -0.07631 0.00000 -0.01850 0.00013 Z4 0.00000 0.00000 -0.06038 0.03439 -0.01479 Z2 X3 Y3 Z3 X4 Z2 0.31209 X3 0.01858 0.14394 Y3 0.01723 0.07090 0.07612 Z3 -0.02717 0.14565 0.12277 0.31209 X4 -0.00276 -0.01802 0.01136 0.00276 0.39601 Y4 0.00243 -0.01850 0.00013 -0.00243 -0.14164 Z4 0.00026 -0.03439 0.01479 0.00026 0.00000 Y4 Z4 Y4 0.07605 Z4 0.00000 0.05987 ITU= 0 Eigenvalues --- 0.09826 0.13745 0.13746 0.55450 0.86270 Eigenvalues --- 0.86294 Angle between quadratic step and forces= 35.42 degrees. ClnCor: largest displacement from symmetrization is 4.83D-13 for atom 3. Linear search not attempted -- first point. ClnCor: largest displacement from symmetrization is 2.44D-15 for atom 4. TrRot= -0.000011 -0.000366 0.000000 0.000002 0.000000 0.000002 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) X1 0.00000 0.00005 0.00000 -0.00002 -0.00003 -0.00003 Y1 0.22582 -0.00019 0.00000 -0.00089 -0.00125 0.22456 Z1 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 X2 -0.88532 -0.00001 0.00000 -0.00016 -0.00017 -0.88549 Y2 -0.52697 0.00006 0.00000 0.00079 0.00042 -0.52655 Z2 1.53311 0.00005 0.00000 0.00062 0.00062 1.53373 X3 -0.88532 -0.00001 0.00000 -0.00016 -0.00017 -0.88549 Y3 -0.52697 0.00006 0.00000 0.00079 0.00042 -0.52655 Z3 -1.53311 -0.00005 0.00000 -0.00062 -0.00062 -1.53373 X4 1.77064 -0.00003 0.00000 0.00038 0.00038 1.77102 Y4 -0.52677 0.00007 0.00000 0.00077 0.00041 -0.52636 Z4 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 Item Value Threshold Converged? Maximum Force 0.000191 0.000450 YES RMS Force 0.000070 0.000300 YES Maximum Displacement 0.001254 0.001800 YES RMS Displacement 0.000505 0.001200 YES Predicted change in Energy=-1.861108D-07 Optimization completed. -- Stationary point found. GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad 1|1|UNPC-CHWS-LAP64|Freq|RB3LYP|6-31G(d,p)|H3N1|MS408|05-Dec-2012|0||# freq rb3lyp/6-31g(d,p) geom=connectivity||nh3 vib||0,1|N,0.,0.119497, 0.|H,-0.468491,-0.278863,0.811289|H,-0.468491,-0.278863,-0.811289|H,0. 936983,-0.278755,0.||Version=EM64W-G09RevC.01|State=1-A'|HF=-56.557768 4|RMSD=3.539e-010|RMSF=6.952e-005|ZeroPoint=0.0344424|Thermal=0.037305 |Dipole=0.0000073,-0.7275315,0.|DipoleDeriv=-0.3084711,0.0000304,0.,-0 .0000077,-0.5534819,0.,0.,0.,-0.3085316,0.1320733,-0.0469706,0.0506806 ,-0.093242,0.1844878,0.1615321,0.0506384,0.081349,0.0735873,0.1320733, -0.0469706,-0.0506806,-0.093242,0.1844878,-0.1615321,-0.0506384,-0.081 349,0.0735873,0.0443246,0.0939108,0.,0.1864916,0.1845063,0.,0.,0.,0.16 1357|Polar=9.829746,0.0003778,6.0772479,0.,0.,9.8274262|PG=CS [SG(H1N1 ),X(H2)]|NImag=0||0.63057731,0.00016215,0.22907234,0.,0.,0.63073680,-0 .13530571,-0.05954219,0.12984247,0.14393769,-0.08939708,-0.07637902,0. 15479347,0.07090070,0.07611545,0.12982784,0.10311090,-0.28517740,-0.14 565269,-0.12277227,0.31208801,-0.13530571,-0.05954219,-0.12984247,0.00 938775,0.00713808,0.01858238,0.14393769,-0.08939708,-0.07637902,-0.154 79347,0.00713808,0.00013222,0.01722847,0.07090070,0.07611545,-0.129827 84,-0.10311090,-0.28517740,-0.01858238,-0.01722847,-0.02716812,0.14565 269,0.12277227,0.31208801,-0.35996590,0.11892223,0.,-0.01801972,0.0113 5830,-0.00275753,-0.01801972,0.01135830,0.00275753,0.39600534,0.178632 00,-0.07631429,0.,-0.01849659,0.00013134,0.00243290,-0.01849659,0.0001 3134,-0.00243290,-0.14163882,0.07605160,0.,0.,-0.06038199,0.03439260,- 0.01479274,0.00025752,-0.03439260,0.01479274,0.00025752,0.,0.,0.059866 95||-0.00004985,0.00019059,0.,0.00000765,-0.00005903,-0.00005309,0.000 00765,-0.00005903,0.00005309,0.00003455,-0.00007254,0.|||@ OF ALL THE WONDERS OF THE UNIVERSE, THE GREATEST IS MAN. -- ARISTOTLE Job cpu time: 0 days 0 hours 0 minutes 7.0 seconds. File lengths (MBytes): RWF= 5 Int= 0 D2E= 0 Chk= 1 Scr= 1 Normal termination of Gaussian 09 at Wed Dec 05 14:53:57 2012.