Entering Gaussian System, Link 0=g09 Input=/Users/tricia/Files/work/jobs/nh3_frequency.com Output=/Users/tricia/Files/work/jobs/nh3_frequency.log Initial command: /Applications/g09/l1.exe "/Users/tricia/Files/work/jobs/tmp/Gau-5403.inp" -scrdir="/Users/tricia/Files/work/jobs/tmp/" Entering Link 1 = /Applications/g09/l1.exe PID= 5404. 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. This software is provided under written license and may be used, copied, transmitted, or stored only in accord with that written license. 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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: EM64M-G09RevD.01 24-Apr-2013 7-Sep-2014 ****************************************** %chk=nh3_frequency.chk ----------------------------------------- # freq b3lyp/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=-5,140=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; ------------- NH3 frequency ------------- Symbolic Z-matrix: Charge = 0 Multiplicity = 1 N 0. 0. 0.11915 H 0. 0.93719 -0.27802 H -0.81163 -0.46859 -0.27802 H 0.81163 -0.46859 -0.27802 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 0.000000 0.119153 2 1 0 0.000000 0.937187 -0.278023 3 1 0 -0.811628 -0.468594 -0.278023 4 1 0 0.811628 -0.468594 -0.278023 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 1 N 0.000000 2 H 1.017874 0.000000 3 H 1.017875 1.623256 0.000000 4 H 1.017875 1.623256 1.623256 0.000000 Stoichiometry H3N Framework group C3[C3(N),X(H3)] Deg. of freedom 2 Full point group C3 NOp 3 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 7 0 0.000000 0.000000 0.119153 2 1 0 0.000000 0.937187 -0.278023 3 1 0 -0.811628 -0.468594 -0.278023 4 1 0 0.811628 -0.468594 -0.278023 --------------------------------------------------------------------- Rotational constants (GHZ): 293.8174172 293.8174172 190.3085034 Standard basis: 6-31G(d,p) (6D, 7F) There are 30 symmetry adapted cartesian basis functions of A symmetry. There are 30 symmetry adapted basis functions of A symmetry. 30 basis functions, 49 primitive gaussians, 30 cartesian basis functions 5 alpha electrons 5 beta electrons nuclear repulsion energy 11.8955678584 Hartrees. NAtoms= 4 NActive= 4 NUniq= 2 SFac= 4.00D+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= 30 RedAO= T EigKep= 2.18D-02 NBF= 30 NBsUse= 30 1.00D-06 EigRej= -1.00D+00 NBFU= 30 ExpMin= 1.61D-01 ExpMax= 4.17D+03 ExpMxC= 6.27D+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 (A) (A) (E) (E) (A) Virtual (A) (E) (E) (A) (E) (E) (E) (E) (A) (A) (E) (E) (A) (A) (E) (E) (E) (E) (A) (E) (E) (A) (E) (E) (A) The electronic state of the initial guess is 1-A. Keep R1 ints in memory in canonical form, NReq=989980. 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) = -56.5577685373 A.U. after 10 cycles NFock= 10 Conv=0.86D-09 -V/T= 2.0091 DoSCS=F DFT=T ScalE2(SS,OS)= 1.000000 1.000000 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. 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 canonical form, NReq=967966. There are 9 degrees of freedom in the 1st order CPHF. IDoFFX=4 NUNeed= 9. 9 vectors produced by pass 0 Test12= 1.39D-15 1.11D-08 XBig12= 4.72D+00 1.32D+00. AX will form 9 AO Fock derivatives at one time. 9 vectors produced by pass 1 Test12= 1.39D-15 1.11D-08 XBig12= 3.58D-01 3.00D-01. 9 vectors produced by pass 2 Test12= 1.39D-15 1.11D-08 XBig12= 3.19D-03 1.98D-02. 9 vectors produced by pass 3 Test12= 1.39D-15 1.11D-08 XBig12= 2.38D-06 7.56D-04. 9 vectors produced by pass 4 Test12= 1.39D-15 1.11D-08 XBig12= 1.20D-09 1.25D-05. 4 vectors produced by pass 5 Test12= 1.39D-15 1.11D-08 XBig12= 3.54D-13 2.10D-07. InvSVY: IOpt=1 It= 1 EMax= 6.66D-16 Solved reduced A of dimension 49 with 9 vectors. Isotropic polarizability for W= 0.000000 8.57 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 (A) (A) (E) (E) (A) Virtual (A) (E) (E) (E) (E) (A) (E) (E) (A) (A) (E) (E) (A) (A) (E) (E) (E) (E) (A) (E) (E) (A) (E) (E) (A) The electronic state is 1-A. Alpha occ. eigenvalues -- -14.30564 -0.84467 -0.45034 -0.45034 -0.25313 Alpha virt. eigenvalues -- 0.07989 0.16927 0.16927 0.67853 0.67853 Alpha virt. eigenvalues -- 0.71438 0.87562 0.87562 0.88553 1.13362 Alpha virt. eigenvalues -- 1.41883 1.41883 1.83081 2.09375 2.24216 Alpha virt. eigenvalues -- 2.24216 2.34675 2.34675 2.79236 2.95101 Alpha virt. eigenvalues -- 2.95101 3.19888 3.42902 3.42902 3.90478 Condensed to atoms (all electrons): 1 2 3 4 1 N 6.702983 0.338040 0.338040 0.338040 2 H 0.338040 0.487662 -0.032369 -0.032369 3 H 0.338040 -0.032369 0.487662 -0.032369 4 H 0.338040 -0.032369 -0.032369 0.487662 Mulliken charges: 1 1 N -0.717104 2 H 0.239035 3 H 0.239035 4 H 0.239035 Sum of Mulliken charges = 0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 N 0.000000 APT charges: 1 1 N -0.391386 2 H 0.130462 3 H 0.130462 4 H 0.130462 Sum of APT charges = 0.00000 APT charges with hydrogens summed into heavy atoms: 1 1 N -0.000001 Electronic spatial extent (au): = 26.2349 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= 0.0000 Y= 0.0000 Z= -1.8457 Tot= 1.8457 Quadrupole moment (field-independent basis, Debye-Ang): XX= -6.1583 YY= -6.1583 ZZ= -8.7228 XY= 0.0000 XZ= 0.0000 YZ= 0.0000 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= 0.8548 YY= 0.8548 ZZ= -1.7097 XY= 0.0000 XZ= 0.0000 YZ= 0.0000 Octapole moment (field-independent basis, Debye-Ang**2): XXX= 0.0000 YYY= 0.7691 ZZZ= -1.6135 XYY= 0.0000 XXY= -0.7691 XXZ= -0.8492 XZZ= 0.0000 YZZ= 0.0000 YYZ= -0.8492 XYZ= 0.0000 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -9.7142 YYYY= -9.7142 ZZZZ= -9.7111 XXXY= 0.0000 XXXZ= 0.0000 YYYX= 0.0000 YYYZ= -0.3114 ZZZX= 0.0000 ZZZY= 0.0000 XXYY= -3.2381 XXZZ= -3.2732 YYZZ= -3.2732 XXYZ= 0.3114 YYXZ= 0.0000 ZZXY= 0.0000 N-N= 1.189556785836D+01 E-N=-1.556709453358D+02 KE= 5.604618710001D+01 Exact polarizability: 9.825 0.000 9.825 0.000 0.000 6.064 Approx polarizability: 11.919 0.000 11.919 0.000 0.000 7.112 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 --- -33.0992 -33.0981 -12.4484 -0.0046 0.0111 0.0466 Low frequencies --- 1088.6659 1694.0140 1694.0140 Diagonal vibrational polarizability: 0.1278786 0.1278793 3.3104224 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 E E Frequencies -- 1088.6659 1694.0139 1694.0139 Red. masses -- 1.1800 1.0645 1.0645 Frc consts -- 0.8240 1.7998 1.7998 IR Inten -- 145.6901 13.5778 13.5779 Atom AN X Y Z X Y Z X Y Z 1 7 0.00 0.00 0.12 -0.07 0.00 0.00 0.00 0.07 0.00 2 1 0.00 -0.21 -0.53 0.76 0.00 0.00 0.00 0.15 0.26 3 1 0.18 0.11 -0.53 0.08 -0.39 0.22 0.39 -0.53 -0.13 4 1 -0.18 0.11 -0.53 0.08 0.39 -0.22 -0.39 -0.53 -0.13 4 5 6 A E E Frequencies -- 3462.0823 3590.6940 3590.6940 Red. masses -- 1.0272 1.0884 1.0884 Frc consts -- 7.2541 8.2676 8.2676 IR Inten -- 1.0503 0.2631 0.2632 Atom AN X Y Z X Y Z X Y Z 1 7 0.00 0.00 -0.04 0.00 0.08 0.00 0.08 0.00 0.00 2 1 0.00 -0.55 0.18 0.00 -0.75 0.31 0.02 0.00 0.00 3 1 0.47 0.27 0.18 -0.34 -0.17 -0.15 -0.56 -0.34 -0.27 4 1 -0.47 0.27 0.18 0.34 -0.17 -0.15 -0.56 0.34 0.27 ------------------- - 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 -- 6.14239 6.14239 9.48324 X 0.52692 0.84991 0.00000 Y 0.84991 -0.52692 0.00000 Z 0.00000 0.00000 1.00000 This molecule is an oblate symmetric top. Rotational symmetry number 3. Rotational temperatures (Kelvin) 14.10100 14.10100 9.13336 Rotational constants (GHZ): 293.81742 293.81742 190.30850 Zero-point vibrational energy 90438.7 (Joules/Mol) 21.61536 (Kcal/Mol) Vibrational temperatures: 1566.35 2437.31 2437.31 4981.16 5166.20 (Kelvin) 5166.20 Zero-point correction= 0.034446 (Hartree/Particle) Thermal correction to Energy= 0.037309 Thermal correction to Enthalpy= 0.038253 Thermal correction to Gibbs Free Energy= 0.016408 Sum of electronic and zero-point Energies= -56.523322 Sum of electronic and thermal Energies= -56.520459 Sum of electronic and thermal Enthalpies= -56.519515 Sum of electronic and thermal Free Energies= -56.541361 E (Thermal) CV S KCal/Mol Cal/Mol-Kelvin Cal/Mol-Kelvin Total 23.412 6.326 45.978 Electronic 0.000 0.000 0.000 Translational 0.889 2.981 34.441 Rotational 0.889 2.981 11.462 Vibrational 21.634 0.365 0.076 Q Log10(Q) Ln(Q) Total Bot 0.283830D-07 -7.546942 -17.377476 Total V=0 0.198247D+09 8.297208 19.105027 Vib (Bot) 0.144003D-15 -15.841628 -36.476696 Vib (V=0) 0.100582D+01 0.002522 0.005806 Electronic 0.100000D+01 0.000000 0.000000 Translational 0.276150D+07 6.441145 14.831285 Rotational 0.713741D+02 1.853541 4.267936 ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 7 0.000000000 0.000000091 0.000100479 2 1 0.000000448 0.000049774 -0.000033468 3 1 -0.000043383 -0.000024544 -0.000033505 4 1 0.000042935 -0.000025320 -0.000033505 ------------------------------------------------------------------- Cartesian Forces: Max 0.000100479 RMS 0.000041741 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 0.63190 Y1 0.00000 0.63190 Z1 0.00000 0.00000 0.22794 X2 -0.06038 -0.00001 0.00000 0.05983 Y2 -0.00001 -0.36089 0.11897 0.00001 0.39682 Z2 0.00001 0.17861 -0.07598 0.00000 -0.14165 X3 -0.28577 -0.13012 -0.10303 0.00028 0.00279 Y3 -0.13012 -0.13550 -0.05949 -0.03439 -0.01797 Z3 -0.15468 -0.08930 -0.07598 0.01479 0.01133 X4 -0.28576 0.13013 0.10303 0.00028 -0.00279 Y4 0.13013 -0.13551 -0.05949 0.03439 -0.01797 Z4 0.15467 -0.08931 -0.07598 -0.01479 0.01134 Z2 X3 Y3 Z3 X4 Z2 0.07577 X3 -0.00242 0.31258 Y3 -0.01848 0.14592 0.14407 Z3 0.00010 0.12267 0.07082 0.07577 X4 0.00242 -0.02709 0.01859 0.01722 0.31257 Y4 -0.01848 -0.01859 0.00940 0.00714 -0.14592 Z4 0.00010 -0.01721 0.00715 0.00010 -0.12267 Y4 Z4 Y4 0.14408 Z4 0.07082 0.07577 ITU= 0 Eigenvalues --- 0.09770 0.13743 0.13743 0.55444 0.86431 Eigenvalues --- 0.86431 Angle between quadratic step and forces= 46.50 degrees. ClnCor: largest displacement from symmetrization is 1.34D-07 for atom 3. Linear search not attempted -- first point. ClnCor: largest displacement from symmetrization is 2.48D-16 for atom 3. TrRot= 0.000000 0.000000 0.000100 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 0.22517 0.00010 0.00000 0.00024 0.00034 0.22551 X2 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 Y2 1.77103 0.00005 0.00000 -0.00001 -0.00001 1.77102 Z2 -0.52539 -0.00003 0.00000 -0.00022 -0.00011 -0.52550 X3 -1.53375 -0.00004 0.00000 0.00001 0.00001 -1.53374 Y3 -0.88551 -0.00002 0.00000 0.00001 0.00001 -0.88551 Z3 -0.52539 -0.00003 0.00000 -0.00022 -0.00011 -0.52550 X4 1.53375 0.00004 0.00000 -0.00001 -0.00001 1.53374 Y4 -0.88551 -0.00003 0.00000 0.00001 0.00001 -0.88551 Z4 -0.52539 -0.00003 0.00000 -0.00022 -0.00011 -0.52550 Item Value Threshold Converged? Maximum Force 0.000100 0.000450 YES RMS Force 0.000042 0.000300 YES Maximum Displacement 0.000344 0.001800 YES RMS Displacement 0.000115 0.001200 YES Predicted change in Energy=-2.219219D-08 Optimization completed. -- Stationary point found. GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad 1\1\GINC-DYN1243-167\Freq\RB3LYP\6-31G(d,p)\H3N1\TRICIA\07-Sep-2014\0\ \# freq b3lyp/6-31g(d,p) geom=connectivity\\NH3 frequency\\0,1\N,0.,-0 .0000001,0.119153\H,0.,0.937187,-0.278023\H,-0.8116278367,-0.46859365, -0.278023\H,0.8116278367,-0.46859365,-0.278023\\Version=EM64M-G09RevD. 01\State=1-A\HF=-56.5577685\RMSD=8.574e-10\RMSF=4.174e-05\ZeroPoint=0. 0344463\Thermal=0.0373093\Dipole=0.,0.,-0.7261695\DipoleDeriv=-0.30902 2,0.0000006,0.,-0.0000006,-0.3090285,-0.0000035,0.,0.0000012,-0.556108 9,0.1613382,-0.000001,0.000001,-0.0000006,0.0446804,0.0937337,0.000001 7,0.1860367,0.185366,0.0738427,-0.050513,-0.0811764,-0.0505134,0.13217 45,-0.0468651,-0.161114,-0.0930172,0.1853687,0.073844,0.0505134,0.0811 753,0.0505146,0.1321732,-0.0468668,0.1611124,-0.0930201,0.1853687\Pola r=9.8245629,0.,9.8245008,0.,0.0000318,6.0644326\PG=C03 [C3(N1),X(H3)]\ NImag=0\\0.63190352,0.,0.63190330,0.,-0.00000185,0.22794152,-0.0603804 6,-0.00000604,-0.00000073,0.05982800,-0.00000604,-0.36088814,0.1189728 3,0.00000549,0.39682079,0.00000732,0.17860510,-0.07598106,-0.00000012, -0.14164526,0.07577281,-0.28576660,-0.13012055,-0.10303254,0.00027693, 0.00278802,-0.00242483,0.31257728,-0.13012075,-0.13550225,-0.05948658, -0.03438521,-0.01796698,-0.01848129,0.14591942,0.14407138,-0.15467974, -0.08929576,-0.07598060,0.01479371,0.01133280,0.00010412,0.12266847,0. 07082253,0.07577275,-0.28575615,0.13012659,0.10303327,0.00027598,-0.00 278747,0.00241764,-0.02708799,0.01858607,0.01721768,0.31256777,0.13012 679,-0.13551271,-0.05948532,0.03438576,-0.01796604,-0.01847813,-0.0185 8716,0.00939793,0.00714068,-0.14592492,0.14408089,0.15467243,-0.089308 43,-0.07598060,-0.01479286,0.01134061,0.00010412,-0.01721134,0.0071453 3,0.00010412,-0.12266835,0.07082275,0.07577275\\0.,-0.00000009,-0.0001 0048,-0.00000045,-0.00004977,0.00003347,0.00004338,0.00002454,0.000033 51,-0.00004293,0.00002532,0.00003351\\\@ IF NO USE IS MADE OF THE LABOR OF PAST AGES, THE WORLD MUST REMAIN ALWAYS IN THE INFANCY OF KNOWLEDGE. -- CICERO Job cpu time: 0 days 0 hours 0 minutes 3.0 seconds. File lengths (MBytes): RWF= 5 Int= 0 D2E= 0 Chk= 1 Scr= 1 Normal termination of Gaussian 09 at Sun Sep 7 16:32:22 2014.