Default is to use a total of 4 processors: 4 via shared-memory 1 via Linda Entering Link 1 = C:\G09W\l1.exe PID= 4532. 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 21-Jan-2014 ****************************************** %chk=H:\3rdyearlab\SamuelSpreadbury_BH3_FREQ.chk Default route: MaxDisk=10GB ----------------------------------------- # 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; ------------- BH3 frequency ------------- Symbolic Z-matrix: Charge = 0 Multiplicity = 1 B 0. 0.00003 0. H 0.62122 1.01811 0. H -1.19208 0.02901 0. H 0.57086 -1.04725 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 5 0 0.000000 0.000028 0.000000 2 1 0 0.621223 1.018106 0.000000 3 1 0 -1.192082 0.029005 0.000000 4 1 0 0.570859 -1.047253 0.000000 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 1 B 0.000000 2 H 1.192644 0.000000 3 H 1.192434 2.065526 0.000000 4 H 1.192760 2.065973 2.065500 0.000000 Stoichiometry BH3 Framework group CS[SG(BH3)] Deg. of freedom 5 Full point group CS NOp 2 Largest Abelian subgroup CS NOp 2 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 5 0 0.000000 0.000028 0.000000 2 1 0 -0.621223 1.018106 0.000000 3 1 0 1.192082 0.029005 0.000000 4 1 0 -0.570859 -1.047253 0.000000 --------------------------------------------------------------------- Rotational constants (GHZ): 235.1098390 234.9701154 117.5199782 Standard basis: 6-31G(d,p) (6D, 7F) There are 23 symmetry adapted cartesian basis functions of A' symmetry. There are 7 symmetry adapted cartesian basis functions of A" symmetry. There are 23 symmetry adapted basis functions of A' symmetry. There are 7 symmetry adapted basis functions of A" symmetry. 30 basis functions, 49 primitive gaussians, 30 cartesian basis functions 4 alpha electrons 4 beta electrons nuclear repulsion energy 7.4242188579 Hartrees. NAtoms= 4 NActive= 4 NUniq= 4 SFac= 1.00D+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= 3.60D-02 NBF= 23 7 NBsUse= 30 1.00D-06 EigRej= -1.00D+00 NBFU= 23 7 ExpMin= 1.27D-01 ExpMax= 2.07D+03 ExpMxC= 3.11D+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') (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') The electronic state of the initial guess is 1-A'. Keep R1 ints in memory in symmetry-blocked form, NReq=991291. 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) = -26.6153235834 A.U. after 8 cycles NFock= 8 Conv=0.23D-08 -V/T= 2.0113 DoSCS=F DFT=T ScalE2(SS,OS)= 1.000000 1.000000 Range of M.O.s used for correlation: 1 30 NBasis= 30 NAE= 4 NBE= 4 NFC= 0 NFV= 0 NROrb= 30 NOA= 4 NOB= 4 NVA= 26 NVB= 26 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=969313. There are 15 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 12 vectors produced by pass 0 Test12= 6.93D-16 6.67D-09 XBig12= 8.59D+00 2.15D+00. AX will form 12 AO Fock derivatives at one time. 12 vectors produced by pass 1 Test12= 6.93D-16 6.67D-09 XBig12= 3.60D-02 1.06D-01. 12 vectors produced by pass 2 Test12= 6.93D-16 6.67D-09 XBig12= 1.92D-05 1.66D-03. 11 vectors produced by pass 3 Test12= 6.93D-16 6.67D-09 XBig12= 9.48D-09 3.16D-05. 10 vectors produced by pass 4 Test12= 6.93D-16 6.67D-09 XBig12= 1.47D-12 6.19D-07. 3 vectors produced by pass 5 Test12= 6.93D-16 6.67D-09 XBig12= 4.05D-16 9.64D-09. InvSVY: IOpt=1 It= 1 EMax= 9.99D-16 Solved reduced A of dimension 60 with 12 vectors. Isotropic polarizability for W= 0.000000 13.31 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') (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') The electronic state is 1-A'. Alpha occ. eigenvalues -- -6.77149 -0.51249 -0.35078 -0.35075 Alpha virt. eigenvalues -- -0.06606 0.16826 0.17920 0.17924 0.38117 Alpha virt. eigenvalues -- 0.38120 0.44412 0.47392 0.90313 0.90319 Alpha virt. eigenvalues -- 0.91282 1.17084 1.17087 1.57580 1.62013 Alpha virt. eigenvalues -- 1.62051 2.00619 2.21177 2.39199 2.39212 Alpha virt. eigenvalues -- 2.55149 2.55180 3.00120 3.24403 3.24442 Alpha virt. eigenvalues -- 3.46292 Condensed to atoms (all electrons): 1 2 3 4 1 B 3.673111 0.410763 0.410781 0.410749 2 H 0.410763 0.671584 -0.025418 -0.025396 3 H 0.410781 -0.025418 0.671567 -0.025423 4 H 0.410749 -0.025396 -0.025423 0.671624 Mulliken charges: 1 1 B 0.094596 2 H -0.031534 3 H -0.031507 4 H -0.031555 Sum of Mulliken charges = 0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 B 0.000000 APT charges: 1 1 B 0.513774 2 H -0.171254 3 H -0.171245 4 H -0.171276 Sum of APT charges = 0.00000 APT charges with hydrogens summed into heavy atoms: 1 1 B 0.000000 Electronic spatial extent (au): = 33.8353 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= 0.0002 Y= 0.0002 Z= 0.0000 Tot= 0.0003 Quadrupole moment (field-independent basis, Debye-Ang): XX= -9.0182 YY= -9.0179 ZZ= -6.9785 XY= -0.0002 XZ= 0.0000 YZ= 0.0000 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= -0.6800 YY= -0.6797 ZZ= 1.3597 XY= -0.0002 XZ= 0.0000 YZ= 0.0000 Octapole moment (field-independent basis, Debye-Ang**2): XXX= 0.1145 YYY= -0.0079 ZZZ= 0.0000 XYY= -0.1131 XXY= 0.0085 XXZ= 0.0000 XZZ= 0.0004 YZZ= 0.0002 YYZ= 0.0000 XYZ= 0.0000 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -22.5398 YYYY= -22.5469 ZZZZ= -6.6242 XXXY= -0.0003 XXXZ= 0.0000 YYYX= -0.0001 YYYZ= 0.0000 ZZZX= 0.0000 ZZZY= 0.0000 XXYY= -7.5145 XXZZ= -5.0918 YYZZ= -5.0933 XXYZ= 0.0000 YYXZ= 0.0000 ZZXY= 0.0000 N-N= 7.424218857877D+00 E-N=-7.542047736262D+01 KE= 2.631705390486D+01 Symmetry A' KE= 2.631705390486D+01 Symmetry A" KE= 0.000000000000D+00 Exact polarizability: 15.874 0.000 15.879 0.000 0.000 8.186 Approx polarizability: 18.736 0.000 18.743 0.000 0.000 10.595 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 --- -0.0009 0.0003 0.0008 33.8606 41.5989 43.7038 Low frequencies --- 1163.5023 1213.4686 1213.5878 Diagonal vibrational polarizability: 0.7187555 0.7198813 1.8387935 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 -- 1163.5021 1213.4686 1213.5877 Red. masses -- 1.2531 1.1072 1.1071 Frc consts -- 0.9995 0.9605 0.9607 IR Inten -- 92.4984 14.0941 14.0722 Atom AN X Y Z X Y Z X Y Z 1 5 0.00 0.00 0.16 -0.04 -0.09 0.00 0.09 -0.04 0.00 2 1 0.00 0.00 -0.57 0.60 0.31 0.00 -0.34 -0.29 0.00 3 1 0.00 0.00 -0.57 -0.05 0.72 0.00 0.06 0.37 0.00 4 1 0.00 0.00 -0.57 -0.08 -0.05 0.00 -0.71 0.39 0.00 4 5 6 A' A' A' Frequencies -- 2580.4399 2712.7976 2714.0780 Red. masses -- 1.0078 1.1273 1.1273 Frc consts -- 3.9539 4.8881 4.8927 IR Inten -- 0.0056 126.4088 126.3656 Atom AN X Y Z X Y Z X Y Z 1 5 0.00 0.00 0.00 0.01 0.11 0.00 0.11 -0.01 0.00 2 1 -0.30 0.49 0.00 0.34 -0.53 0.00 -0.26 0.44 0.00 3 1 0.57 0.01 0.00 -0.13 0.01 0.00 -0.80 -0.02 0.00 4 1 -0.28 -0.51 0.00 -0.37 -0.66 0.00 -0.12 -0.26 0.00 ------------------- - Thermochemistry - ------------------- Temperature 298.150 Kelvin. Pressure 1.00000 Atm. Atom 1 has atomic number 5 and mass 11.00931 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: 14.03278 amu. Principal axes and moments of inertia in atomic units: 1 2 3 Eigenvalues -- 7.67616 7.68073 15.35689 X -0.04793 0.99885 0.00000 Y 0.99885 0.04793 0.00000 Z 0.00000 0.00000 1.00000 This molecule is an asymmetric top. Rotational symmetry number 1. Rotational temperatures (Kelvin) 11.28348 11.27677 5.64006 Rotational constants (GHZ): 235.10984 234.97012 117.51998 Zero-point vibrational energy 69370.7 (Joules/Mol) 16.57999 (Kcal/Mol) Vibrational temperatures: 1674.02 1745.91 1746.08 3712.67 3903.11 (Kelvin) 3904.95 Zero-point correction= 0.026422 (Hartree/Particle) Thermal correction to Energy= 0.029306 Thermal correction to Enthalpy= 0.030250 Thermal correction to Gibbs Free Energy= 0.007178 Sum of electronic and zero-point Energies= -26.588902 Sum of electronic and thermal Energies= -26.586018 Sum of electronic and thermal Enthalpies= -26.585074 Sum of electronic and thermal Free Energies= -26.608145 E (Thermal) CV S KCal/Mol Cal/Mol-Kelvin Cal/Mol-Kelvin Total 18.390 6.587 48.559 Electronic 0.000 0.000 0.000 Translational 0.889 2.981 33.864 Rotational 0.889 2.981 14.568 Vibrational 16.612 0.625 0.126 Q Log10(Q) Ln(Q) Total Bot 0.499247D-03 -3.301684 -7.602409 Total V=0 0.710429D+09 8.851521 20.381380 Vib (Bot) 0.709372D-12 -12.149126 -27.974397 Vib (V=0) 0.100944D+01 0.004079 0.009392 Electronic 0.100000D+01 0.000000 0.000000 Translational 0.206619D+07 6.315171 14.541218 Rotational 0.340621D+03 2.532271 5.830770 ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 5 0.000098329 -0.000057035 0.000000000 2 1 -0.000067173 -0.000137462 0.000000000 3 1 0.000047739 0.000005132 0.000000000 4 1 -0.000078895 0.000189364 0.000000000 ------------------------------------------------------------------- Cartesian Forces: Max 0.000189364 RMS 0.000082015 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 0.41874 Y1 0.00007 0.41843 Z1 0.00000 0.00000 0.12152 X2 -0.09417 -0.08814 0.00000 0.09230 Y2 -0.08815 -0.18483 0.00000 0.09639 0.19143 Z2 0.00000 0.00000 -0.04051 0.00000 0.00000 X3 -0.23878 0.00482 0.00000 -0.00620 0.00148 Y3 0.00482 -0.04048 0.00000 -0.01707 0.00384 Z3 0.00000 0.00000 -0.04048 0.00000 0.00000 X4 -0.08579 0.08324 0.00000 0.00807 -0.00972 Y4 0.08325 -0.19312 0.00000 0.00882 -0.01043 Z4 0.00000 0.00000 -0.04053 0.00000 0.00000 Z2 X3 Y3 Z3 X4 Z2 0.01355 X3 0.00000 0.25040 Y3 0.00000 -0.00527 0.03359 Z3 0.01348 0.00000 0.00000 0.01351 X4 0.00000 -0.00542 0.01752 0.00000 0.08313 Y4 0.00000 -0.00103 0.00305 0.00000 -0.09104 Z4 0.01348 0.00000 0.00000 0.01348 0.00000 Y4 Z4 Y4 0.20050 Z4 0.00000 0.01356 ITU= 0 Eigenvalues --- 0.07547 0.07549 0.13882 0.25396 0.56157 Eigenvalues --- 0.56207 Angle between quadratic step and forces= 27.94 degrees. ClnCor: largest displacement from symmetrization is 9.37D-14 for atom 1. Linear search not attempted -- first point. ClnCor: largest displacement from symmetrization is 2.47D-32 for atom 4. TrRot= -0.000001 -0.000025 0.000000 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 0.00010 0.00000 0.00000 -0.00001 -0.00001 Y1 0.00005 -0.00006 0.00000 -0.00008 -0.00011 -0.00005 Z1 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 X2 1.17394 -0.00007 0.00000 -0.00012 -0.00012 1.17382 Y2 1.92394 -0.00014 0.00000 -0.00070 -0.00072 1.92322 Z2 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 X3 -2.25271 0.00005 0.00000 0.00019 0.00019 -2.25252 Y3 0.05481 0.00001 0.00000 0.00007 0.00005 0.05486 Z3 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 X4 1.07877 -0.00008 0.00000 -0.00006 -0.00006 1.07870 Y4 -1.97902 0.00019 0.00000 0.00081 0.00078 -1.97824 Z4 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 Item Value Threshold Converged? Maximum Force 0.000189 0.000450 YES RMS Force 0.000082 0.000300 YES Maximum Displacement 0.000784 0.001800 YES RMS Displacement 0.000317 0.001200 YES Predicted change in Energy=-1.380433D-07 Optimization completed. -- Stationary point found. GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad 1|1| IMPERIAL COLLEGE-CHWS-278|Freq|RB3LYP|6-31G(d,p)|B1H3|SRS11|21-Ja n-2014|0||# freq b3lyp/6-31g(d,p) geom=connectivity||BH3 frequency||0, 1|B,0.,0.000028,0.|H,0.621223,1.018106,0.|H,-1.192082,0.029005,0.|H,0. 570859,-1.047253,0.||Version=EM64W-G09RevD.01|State=1-A'|HF=-26.615323 6|RMSD=2.308e-009|RMSF=8.202e-005|ZeroPoint=0.0264219|Thermal=0.029305 7|Dipole=-0.0000943,0.0000746,0.|DipoleDeriv=0.5333585,-0.0000247,0.,- 0.00001,0.5335558,0.,0.,0.,0.4744088,-0.1365985,-0.0799832,0.,-0.08005 78,-0.219006,0.,0.,0.,-0.1581584,-0.2677362,0.0043951,0.,0.0043838,-0. 0879038,0.,0.,0.,-0.1580937,-0.1290239,0.0756128,0.,0.075684,-0.226645 9,0.,0.,0.,-0.1581567|Polar=15.8739512,-0.0002854,15.8786577,0.,0.,8.1 858694|PG=CS [SG(B1H3)]|NImag=0||0.41874042,0.00007324,0.41842577,0.,0 .,0.12152018,-0.09417438,-0.08813531,0.,0.09230285,-0.08814871,-0.1848 3114,0.,0.09638734,0.19142531,0.,0.,-0.04051477,0.,0.,0.01355108,-0.23 878094,0.00481854,0.,-0.00620049,0.00148099,0.,0.25040165,0.00482258,- 0.04047778,0.,-0.01706868,0.00383796,0.,-0.00527268,0.03358697,0.,0.,- 0.04047971,0.,0.,0.01348158,0.,0.,0.01351340,-0.08578510,0.08324354,0. ,0.00807202,-0.00971962,0.,-0.00542021,0.01751878,0.,0.08313329,0.0832 5289,-0.19311685,0.,0.00881666,-0.01043213,0.,-0.00102685,0.00305285,0 .,-0.09104270,0.20049614,0.,0.,-0.04052570,0.,0.,0.01348212,0.,0.,0.01 348474,0.,0.,0.01355884||-0.00009833,0.00005703,0.,0.00006717,0.000137 46,0.,-0.00004774,-0.00000513,0.,0.00007889,-0.00018936,0.|||@ LET US REMEMBER, PLEASE, THAT THE SEARCH FOR THE CONSTITUTION OF THE WORLD IS ONE OF THE GREATEST AND NOBLEST PROBLEMS PRESENTED BY NATURE. -- GALILEO Job cpu time: 0 days 0 hours 0 minutes 13.0 seconds. File lengths (MBytes): RWF= 5 Int= 0 D2E= 0 Chk= 1 Scr= 1 Normal termination of Gaussian 09 at Tue Jan 21 14:19:59 2014.