Entering Gaussian System, Link 0=/Applications/gaussian09/g09/g09 Initial command: /Applications/gaussian09/g09/l1.exe "/Volumes/homes/Wrok (3rd Yr)/Labs/Y3CI/BH3 Practice/Gau-1143.inp" -scrdir="/Volumes/homes/Wrok (3rd Yr)/Labs/Y3CI/BH3 Practice/" Default is to use a total of 4 processors: 4 via shared-memory 1 via Linda Entering Link 1 = /Applications/gaussian09/g09/l1.exe PID= 1167. 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 22-Jan-2014 ****************************************** %chk=PG_BH3_optimisation_631.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; ------------- BH3 frequency ------------- Symbolic Z-matrix: Charge = 0 Multiplicity = 1 B 0. 0.00003 0. H 0.88103 0.80339 0. H 0.25529 -1.16465 0. H -1.13631 0.36113 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 0.000027 0.000000 2 1 0 0.881025 0.803389 0.000000 3 1 0 0.255288 -1.164648 0.000000 4 1 0 -1.136312 0.361126 0.000000 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 1 B 0.000000 2 H 1.192307 0.000000 3 H 1.192325 2.065119 0.000000 4 H 1.192308 2.065247 2.065076 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 0.000027 0.000000 2 1 0 -0.884769 0.799263 0.000000 3 1 0 -0.249843 -1.165828 0.000000 4 1 0 1.134612 0.366432 0.000000 --------------------------------------------------------------------- Rotational constants (GHZ): 235.1815959 235.1347112 117.5790756 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 7.4260851962 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) = -26.6153235634 A.U. after 8 cycles NFock= 8 Conv=0.68D-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= 8.58D+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= 3.59D-02 1.05D-01. 12 vectors produced by pass 2 Test12= 6.93D-16 6.67D-09 XBig12= 1.91D-05 2.14D-03. 11 vectors produced by pass 3 Test12= 6.93D-16 6.67D-09 XBig12= 9.35D-09 4.49D-05. 9 vectors produced by pass 4 Test12= 6.93D-16 6.67D-09 XBig12= 2.99D-12 8.83D-07. 3 vectors produced by pass 5 Test12= 6.93D-16 6.67D-09 XBig12= 8.16D-16 1.37D-08. InvSVY: IOpt=1 It= 1 EMax= 1.22D-15 Solved reduced A of dimension 59 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 -- -6.77140 -0.51254 -0.35081 -0.35078 Alpha virt. eigenvalues -- -0.06605 0.16839 0.17928 0.17931 0.38114 Alpha virt. eigenvalues -- 0.38115 0.44414 0.47384 0.90326 0.90332 Alpha virt. eigenvalues -- 0.91302 1.17084 1.17086 1.57604 1.62057 Alpha virt. eigenvalues -- 1.62069 2.00618 2.21193 2.39230 2.39240 Alpha virt. eigenvalues -- 2.55209 2.55222 3.00185 3.24486 3.24495 Alpha virt. eigenvalues -- 3.46266 Condensed to atoms (all electrons): 1 2 3 4 1 B 3.673012 0.410818 0.410813 0.410816 2 H 0.410818 0.671533 -0.025424 -0.025414 3 H 0.410813 -0.025424 0.671555 -0.025428 4 H 0.410816 -0.025414 -0.025428 0.671536 Mulliken charges: 1 1 B 0.094540 2 H -0.031513 3 H -0.031517 4 H -0.031511 Sum of Mulliken charges = 0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 B 0.000000 APT charges: 1 1 B 0.513708 2 H -0.171219 3 H -0.171252 4 H -0.171237 Sum of APT charges = 0.00000 APT charges with hydrogens summed into heavy atoms: 1 1 B 0.000000 Electronic spatial extent (au): = 33.8254 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= 0.0000 Y= 0.0001 Z= 0.0000 Tot= 0.0001 Quadrupole moment (field-independent basis, Debye-Ang): XX= -9.0169 YY= -9.0172 ZZ= -6.9774 XY= -0.0001 XZ= 0.0000 YZ= 0.0000 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= -0.6797 YY= -0.6800 ZZ= 1.3597 XY= -0.0001 XZ= 0.0000 YZ= 0.0000 Octapole moment (field-independent basis, Debye-Ang**2): XXX= 0.0672 YYY= -0.0914 ZZZ= 0.0000 XYY= -0.0672 XXY= 0.0915 XXZ= 0.0000 XZZ= 0.0000 YZZ= 0.0001 YYZ= 0.0000 XYZ= 0.0000 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -22.5340 YYYY= -22.5334 ZZZZ= -6.6224 XXXY= 0.0001 XXXZ= 0.0000 YYYX= 0.0002 YYYZ= 0.0000 ZZZX= 0.0000 ZZZY= 0.0000 XXYY= -7.5113 XXZZ= -5.0905 YYZZ= -5.0903 XXYZ= 0.0000 YYXZ= 0.0000 ZZXY= 0.0001 N-N= 7.426085196227D+00 E-N=-7.542494237664D+01 KE= 2.631795881956D+01 Symmetry A' KE= 2.631795881956D+01 Symmetry A" KE= 5.445959973789D-66 Exact polarizability: 15.871 0.001 15.870 0.000 0.000 8.184 Approx polarizability: 18.730 0.000 18.729 0.000 0.000 10.593 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 --- -26.9662 -12.4143 -5.8432 -0.0007 0.0006 0.0010 Low frequencies --- 1162.9038 1213.0582 1213.1931 Diagonal vibrational polarizability: 0.7180535 0.7183340 1.8418056 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 -- 1162.9038 1213.0582 1213.1931 Red. masses -- 1.2531 1.1072 1.1071 Frc consts -- 0.9984 0.9599 0.9601 IR Inten -- 92.5546 14.0596 14.0547 Atom AN X Y Z X Y Z X Y Z 1 5 0.00 0.00 0.16 0.03 0.09 0.00 0.09 -0.03 0.00 2 1 0.00 0.00 -0.57 -0.53 -0.54 0.00 -0.14 -0.27 0.00 3 1 0.00 0.00 -0.57 -0.10 0.10 0.00 -0.78 0.16 0.00 4 1 0.00 0.00 -0.57 0.24 -0.59 0.00 -0.09 0.50 0.00 4 5 6 A' A' A' Frequencies -- 2582.2918 2715.3750 2715.5783 Red. masses -- 1.0078 1.1273 1.1274 Frc consts -- 3.9596 4.8974 4.8982 IR Inten -- 0.0001 126.3699 126.3414 Atom AN X Y Z X Y Z X Y Z 1 5 0.00 0.00 0.00 0.05 0.10 0.00 0.10 -0.05 0.00 2 1 0.43 -0.39 0.00 0.17 -0.13 0.00 -0.58 0.53 0.00 3 1 0.12 0.56 0.00 -0.16 -0.77 0.00 0.06 0.20 0.00 4 1 -0.55 -0.18 0.00 -0.55 -0.17 0.00 -0.54 -0.19 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 -- 7.67382 7.67535 15.34917 X 0.94464 0.32811 0.00000 Y -0.32811 0.94464 0.00000 Z 0.00000 0.00000 1.00000 This molecule is an asymmetric top. Rotational symmetry number 1. Rotational temperatures (Kelvin) 11.28692 11.28467 5.64290 Rotational constants (GHZ): 235.18160 235.13471 117.57908 Zero-point vibrational energy 69397.8 (Joules/Mol) 16.58646 (Kcal/Mol) Vibrational temperatures: 1673.16 1745.32 1745.51 3715.34 3906.81 (Kelvin) 3907.11 Zero-point correction= 0.026432 (Hartree/Particle) Thermal correction to Energy= 0.029316 Thermal correction to Enthalpy= 0.030260 Thermal correction to Gibbs Free Energy= 0.007189 Sum of electronic and zero-point Energies= -26.588891 Sum of electronic and thermal Energies= -26.586007 Sum of electronic and thermal Enthalpies= -26.585063 Sum of electronic and thermal Free Energies= -26.608134 E (Thermal) CV S KCal/Mol Cal/Mol-Kelvin Cal/Mol-Kelvin Total 18.396 6.587 48.557 Electronic 0.000 0.000 0.000 Translational 0.889 2.981 33.864 Rotational 0.889 2.981 14.566 Vibrational 16.619 0.626 0.127 Q Log10(Q) Ln(Q) Total Bot 0.493463D-03 -3.306745 -7.614062 Total V=0 0.709909D+09 8.851203 20.380647 Vib (Bot) 0.701682D-12 -12.153860 -27.985296 Vib (V=0) 0.100946D+01 0.004088 0.009413 Electronic 0.100000D+01 0.000000 0.000000 Translational 0.206619D+07 6.315171 14.541218 Rotational 0.340364D+03 2.531944 5.830016 ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 5 -0.000000592 -0.000021595 0.000000000 2 1 0.000003185 0.000013173 0.000000000 3 1 0.000004115 -0.000005931 0.000000000 4 1 -0.000006707 0.000014353 0.000000000 ------------------------------------------------------------------- Cartesian Forces: Max 0.000021595 RMS 0.000008914 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 0.41912 Y1 0.00004 0.41904 Z1 0.00000 0.00000 0.12140 X2 -0.14886 -0.09894 0.00000 0.15206 Y2 -0.09894 -0.13056 0.00000 0.10817 0.13207 Z2 0.00000 0.00000 -0.04045 0.00000 0.00000 X3 -0.04946 0.04155 0.00000 0.00639 -0.01464 Y3 0.04155 -0.22991 0.00000 0.00392 -0.00875 Z3 0.00000 0.00000 -0.04048 0.00000 0.00000 X4 -0.22081 0.05735 0.00000 -0.00960 0.00540 Y4 0.05735 -0.05858 0.00000 -0.01316 0.00724 Z4 0.00000 0.00000 -0.04046 0.00000 0.00000 Z2 X3 Y3 Z3 X4 Z2 0.01348 X3 0.00000 0.04340 Y3 0.00000 -0.04543 0.24069 Z3 0.01349 0.00000 0.00000 0.01348 X4 0.00000 -0.00033 -0.00005 0.00000 0.23074 Y4 0.00000 0.01852 -0.00203 0.00000 -0.06271 Z4 0.01349 0.00000 0.00000 0.01351 0.00000 Y4 Z4 Y4 0.05336 Z4 0.00000 0.01347 ITU= 0 Eigenvalues --- 0.07543 0.07544 0.13868 0.25432 0.56254 Eigenvalues --- 0.56267 Angle between quadratic step and forces= 42.51 degrees. ClnCor: largest displacement from symmetrization is 1.15D-15 for atom 1. Linear search not attempted -- first point. ClnCor: largest displacement from symmetrization is 8.95D-16 for atom 3. TrRot= -0.000001 -0.000023 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 0.00000 0.00000 0.00000 -0.00001 -0.00001 Y1 0.00005 -0.00002 0.00000 -0.00007 -0.00010 -0.00004 Z1 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 X2 1.66490 0.00000 0.00000 -0.00008 -0.00008 1.66482 Y2 1.51819 0.00001 0.00000 0.00008 0.00006 1.51824 Z2 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 X3 0.48242 0.00000 0.00000 0.00006 0.00006 0.48249 Y3 -2.20087 -0.00001 0.00000 -0.00008 -0.00010 -2.20096 Z3 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 X4 -2.14732 -0.00001 0.00000 0.00002 0.00002 -2.14730 Y4 0.68243 0.00001 0.00000 0.00016 0.00013 0.68256 Z4 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 Item Value Threshold Converged? Maximum Force 0.000022 0.000450 YES RMS Force 0.000009 0.000300 YES Maximum Displacement 0.000135 0.001800 YES RMS Displacement 0.000065 0.001200 YES Predicted change in Energy=-2.613635D-09 Optimization completed. -- Stationary point found. GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad 1\1\GINC-DYN1182-105\Freq\RB3LYP\6-31G(d,p)\B1H3\PG1910\22-Jan-2014\0\ \# freq b3lyp/6-31g(d,p) geom=connectivity\\BH3 frequency\\0,1\B,0.,0. 000027,0.\H,0.881025,0.803389,0.\H,0.255288,-1.164648,0.\H,-1.136312,0 .361126,0.\\Version=EM64M-G09RevD.01\State=1-A'\HF=-26.6153236\RMSD=6. 834e-09\RMSF=8.914e-06\ZeroPoint=0.0264322\Thermal=0.0293161\Dipole=-0 .0000025,0.000039,0.\DipoleDeriv=0.533256,-0.0000011,0.,-0.0000166,0.5 333157,0.,0.,0.,0.4745531,-0.1860071,-0.0896842,0.,-0.0896459,-0.16946 36,0.,0.,0.,-0.1581857,-0.0959876,0.0377107,0.,0.0376644,-0.2595959,0. ,0.,0.,-0.1581737,-0.2512613,0.0519747,0.,0.0519981,-0.1042562,0.,0.,0 .,-0.1581936\Polar=15.8707275,-0.0005773,15.8699983,0.,0.,8.1844435\PG =CS [SG(B1H3)]\NImag=0\\0.41912317,0.00003905,0.41903988,0.,0.,0.12139 522,-0.14885653,-0.09894202,0.,0.15206237,-0.09893887,-0.13055666,0.,0 .10817433,0.13206583,0.,0.,-0.04045434,0.,0.,0.01347994,-0.04945706,0. 04154922,0.,0.00639111,-0.01463574,0.,0.04339687,0.04155045,-0.2299077 1,0.,0.00392488,-0.00875203,0.,-0.04542954,0.24069103,0.,0.,-0.0404758 9,0.,0.,0.01348676,0.,0.,0.01348393,-0.22080958,0.05735375,0.,-0.00959 694,0.00540028,0.,-0.00033092,-0.00004579,0.,0.23073745,0.05734937,-0. 05857550,0.,-0.01315719,0.00724286,0.,0.01851606,-0.00203129,0.,-0.062 70824,0.05336393,0.,0.,-0.04046499,0.,0.,0.01348764,0.,0.,0.01350519,0 .,0.,0.01347216\\0.00000059,0.00002160,0.,-0.00000318,-0.00001317,0.,- 0.00000411,0.00000593,0.,0.00000671,-0.00001435,0.\\\@ KNIGHT- SIRE, I'VE JUST RETURNED FROM THE FRONT KING- HOW GOES THE BATTLE KNIGHT- THE SITUATION IS QUITE FLUID KING- WHAT DOES *THAT* MEAN KNIGHT- WE'RE UP THE CREEK THE WIZARD OF ID Job cpu time: 0 days 0 hours 0 minutes 32.0 seconds. File lengths (MBytes): RWF= 5 Int= 0 D2E= 0 Chk= 1 Scr= 1 Normal termination of Gaussian 09 at Wed Jan 22 13:33:06 2014.