Default is to use a total of 4 processors: 4 via shared-memory 1 via Linda Entering Link 1 = C:\G09W\l1.exe PID= 2032. 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 12-Oct-2013 ****************************************** %chk=\\ic.ac.uk\homes\npa11\Desktop\Yr3. Mini Project\NPA_PH3_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; ------------ NPA_PH3_Freq ------------ Symbolic Z-matrix: Charge = 0 Multiplicity = 1 P 0. 0. 0.12849 H 0. 1.19663 -0.64247 H -1.03632 -0.59832 -0.64247 H 1.03632 -0.59832 -0.64247 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 15 0 0.000000 0.000000 0.128493 2 1 0 0.000000 1.196634 -0.642465 3 1 0 -1.036316 -0.598317 -0.642465 4 1 0 1.036316 -0.598317 -0.642465 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 1 P 0.000000 2 H 1.423485 0.000000 3 H 1.423485 2.072631 0.000000 4 H 1.423485 2.072631 2.072632 0.000000 Stoichiometry H3P Framework group C3V[C3(P),3SGV(H)] Deg. of freedom 2 Full point group C3V NOp 6 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 15 0 0.000000 0.000000 0.128493 2 1 0 0.000000 1.196634 -0.642465 3 1 0 -1.036315 -0.598317 -0.642465 4 1 0 1.036315 -0.598317 -0.642465 --------------------------------------------------------------------- Rotational constants (GHZ): 132.9256075 132.9256075 116.7315149 Standard basis: 6-31G(d,p) (6D, 7F) There are 23 symmetry adapted cartesian basis functions of A' symmetry. There are 11 symmetry adapted cartesian basis functions of A" symmetry. There are 23 symmetry adapted basis functions of A' symmetry. There are 11 symmetry adapted basis functions of A" symmetry. 34 basis functions, 73 primitive gaussians, 34 cartesian basis functions 9 alpha electrons 9 beta electrons nuclear repulsion energy 17.4945959666 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= 34 RedAO= T EigKep= 1.39D-02 NBF= 23 11 NBsUse= 34 1.00D-06 EigRej= -1.00D+00 NBFU= 23 11 ExpMin= 9.98D-02 ExpMax= 1.94D+04 ExpMxC= 2.91D+03 IAcc=2 IRadAn= 4 AccDes= 0.00D+00 Harris functional with IExCor= 402 and IRadAn= 4 diagonalized for initial guess. HarFok: IExCor= 402 AccDes= 0.00D+00 IRadAn= 4 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) (E) (E) (A1) (A1) (E) (E) (A1) Virtual (E) (E) (A1) (E) (E) (A1) (A1) (E) (E) (A1) (E) (E) (A1) (E) (E) (A2) (E) (E) (E) (E) (A1) (A1) (E) (E) (A1) The electronic state of the initial guess is 1-A1. Keep R1 ints in memory in symmetry-blocked form, NReq=1061666. 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) = -343.145067717 A.U. after 11 cycles NFock= 11 Conv=0.40D-08 -V/T= 2.0036 DoSCS=F DFT=T ScalE2(SS,OS)= 1.000000 1.000000 Range of M.O.s used for correlation: 1 34 NBasis= 34 NAE= 9 NBE= 9 NFC= 0 NFV= 0 NROrb= 34 NOA= 9 NOB= 9 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 symmetry-blocked form, NReq=1038882. There are 9 degrees of freedom in the 1st order CPHF. IDoFFX=4 NUNeed= 9. 9 vectors produced by pass 0 Test12= 2.50D-15 1.11D-08 XBig12= 1.98D+01 3.24D+00. AX will form 9 AO Fock derivatives at one time. 9 vectors produced by pass 1 Test12= 2.50D-15 1.11D-08 XBig12= 1.17D+00 5.53D-01. 9 vectors produced by pass 2 Test12= 2.50D-15 1.11D-08 XBig12= 4.08D-03 2.63D-02. 9 vectors produced by pass 3 Test12= 2.50D-15 1.11D-08 XBig12= 1.74D-05 2.14D-03. 9 vectors produced by pass 4 Test12= 2.50D-15 1.11D-08 XBig12= 1.53D-08 5.37D-05. 4 vectors produced by pass 5 Test12= 2.50D-15 1.11D-08 XBig12= 7.30D-12 1.02D-06. 1 vectors produced by pass 6 Test12= 2.50D-15 1.11D-08 XBig12= 3.38D-15 2.21D-08. InvSVY: IOpt=1 It= 1 EMax= 1.33D-15 Solved reduced A of dimension 50 with 9 vectors. Isotropic polarizability for W= 0.000000 20.85 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) (E) (E) (A1) (A1) (E) (E) (A1) Virtual (E) (E) (A1) (E) (E) (A1) (A1) (E) (E) (A1) (E) (E) (A1) (E) (E) (A2) (E) (E) (E) (E) (A1) (A1) (E) (E) (A1) The electronic state is 1-A1. Alpha occ. eigenvalues -- -77.08208 -6.55595 -4.71778 -4.71778 -4.71349 Alpha occ. eigenvalues -- -0.64723 -0.38650 -0.38650 -0.27508 Alpha virt. eigenvalues -- 0.03268 0.03268 0.11624 0.28023 0.28023 Alpha virt. eigenvalues -- 0.29969 0.38088 0.63511 0.63511 0.66525 Alpha virt. eigenvalues -- 0.67590 0.67590 0.93518 1.13514 1.13514 Alpha virt. eigenvalues -- 1.96382 2.01529 2.01529 2.16493 2.16493 Alpha virt. eigenvalues -- 2.21994 2.62093 2.77280 2.77280 3.57949 Condensed to atoms (all electrons): 1 2 3 4 1 P 13.984336 0.335329 0.335329 0.335329 2 H 0.335329 0.712737 -0.022420 -0.022420 3 H 0.335329 -0.022420 0.712737 -0.022420 4 H 0.335329 -0.022420 -0.022420 0.712737 Mulliken charges: 1 1 P 0.009677 2 H -0.003226 3 H -0.003226 4 H -0.003226 Sum of Mulliken charges = 0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 P 0.000000 APT charges: 1 1 P 0.341047 2 H -0.113686 3 H -0.113683 4 H -0.113683 Sum of APT charges = 0.00000 APT charges with hydrogens summed into heavy atoms: 1 1 P -0.000005 Electronic spatial extent (au): = 54.9067 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= 0.0000 Y= 0.0000 Z= -0.9605 Tot= 0.9605 Quadrupole moment (field-independent basis, Debye-Ang): XX= -14.5654 YY= -14.5654 ZZ= -16.9499 XY= 0.0000 XZ= 0.0000 YZ= 0.0000 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= 0.7948 YY= 0.7948 ZZ= -1.5897 XY= 0.0000 XZ= 0.0000 YZ= 0.0000 Octapole moment (field-independent basis, Debye-Ang**2): XXX= 0.0000 YYY= -0.0715 ZZZ= -2.0142 XYY= 0.0000 XXY= 0.0715 XXZ= -0.3432 XZZ= 0.0000 YZZ= 0.0000 YYZ= -0.3432 XYZ= 0.0000 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -29.9491 YYYY= -29.9491 ZZZZ= -34.5236 XXXY= 0.0000 XXXZ= 0.0000 YYYX= 0.0000 YYYZ= -0.3989 ZZZX= 0.0000 ZZZY= 0.0000 XXYY= -9.9830 XXZZ= -10.4254 YYZZ= -10.4254 XXYZ= 0.3989 YYXZ= 0.0000 ZZXY= 0.0000 N-N= 1.749459596661D+01 E-N=-8.502539581409D+02 KE= 3.419041101723D+02 Symmetry A' KE= 3.103743920566D+02 Symmetry A" KE= 3.152971811579D+01 Exact polarizability: 21.983 0.000 21.982 0.000 0.000 18.596 Approx polarizability: 31.697 0.000 31.697 0.000 0.000 24.560 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 --- -39.8181 -39.8007 -35.7096 -0.0034 0.0445 0.1171 Low frequencies --- 1036.3447 1155.1671 1155.1671 Diagonal vibrational polarizability: 0.7370277 0.7370522 0.8637218 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 A1 E E Frequencies -- 1036.3447 1155.1671 1155.1671 Red. masses -- 1.0757 1.0255 1.0255 Frc consts -- 0.6807 0.8062 0.8062 IR Inten -- 25.2448 13.0571 13.0565 Atom AN X Y Z X Y Z X Y Z 1 15 0.00 0.00 0.05 -0.02 0.00 0.00 0.00 0.02 0.00 2 1 0.00 -0.31 -0.49 0.72 0.00 0.00 0.00 0.22 0.32 3 1 0.27 0.15 -0.49 0.01 -0.41 0.28 0.41 -0.48 -0.16 4 1 -0.27 0.15 -0.49 0.01 0.41 -0.28 -0.41 -0.48 -0.16 4 5 6 A1 E E Frequencies -- 2395.8515 2409.8777 2409.8778 Red. masses -- 1.0315 1.0409 1.0409 Frc consts -- 3.4885 3.5617 3.5617 IR Inten -- 49.3080 102.2346 102.2264 Atom AN X Y Z X Y Z X Y Z 1 15 0.00 0.00 -0.03 0.00 0.03 0.00 0.03 0.00 0.00 2 1 0.00 -0.50 0.29 0.00 -0.69 0.44 0.01 0.00 0.00 3 1 0.43 0.25 0.29 -0.30 -0.17 -0.22 -0.51 -0.30 -0.38 4 1 -0.43 0.25 0.29 0.30 -0.17 -0.22 -0.51 0.30 0.38 ------------------- - Thermochemistry - ------------------- Temperature 298.150 Kelvin. Pressure 1.00000 Atm. Atom 1 has atomic number 15 and mass 30.97376 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: 33.99724 amu. Principal axes and moments of inertia in atomic units: 1 2 3 Eigenvalues -- 13.57708 13.57708 15.46062 X -0.31623 0.94868 0.00000 Y 0.94868 0.31623 0.00000 Z 0.00000 0.00000 1.00000 This molecule is an oblate symmetric top. Rotational symmetry number 3. Rotational temperatures (Kelvin) 6.37942 6.37942 5.60222 Rotational constants (GHZ): 132.92561 132.92561 116.73151 Zero-point vibrational energy 63176.5 (Joules/Mol) 15.09955 (Kcal/Mol) Vibrational temperatures: 1491.07 1662.03 1662.03 3447.09 3467.27 (Kelvin) 3467.27 Zero-point correction= 0.024063 (Hartree/Particle) Thermal correction to Energy= 0.026968 Thermal correction to Enthalpy= 0.027912 Thermal correction to Gibbs Free Energy= 0.004057 Sum of electronic and zero-point Energies= -343.121005 Sum of electronic and thermal Energies= -343.118100 Sum of electronic and thermal Enthalpies= -343.117156 Sum of electronic and thermal Free Energies= -343.141011 E (Thermal) CV S KCal/Mol Cal/Mol-Kelvin Cal/Mol-Kelvin Total 16.922 6.780 50.207 Electronic 0.000 0.000 0.000 Translational 0.889 2.981 36.502 Rotational 0.889 2.981 13.524 Vibrational 15.145 0.818 0.181 Q Log10(Q) Ln(Q) Total Bot 0.136139D-01 -1.866019 -4.296667 Total V=0 0.159225D+10 9.202012 21.188415 Vib (Bot) 0.867392D-11 -11.061784 -25.470700 Vib (V=0) 0.101449D+01 0.006246 0.014382 Electronic 0.100000D+01 0.000000 0.000000 Translational 0.779149D+07 6.891621 15.868543 Rotational 0.201440D+03 2.304145 5.305490 ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 15 0.000000000 0.000000000 0.000208323 2 1 0.000000000 0.000122495 -0.000069441 3 1 -0.000106084 -0.000061248 -0.000069441 4 1 0.000106084 -0.000061248 -0.000069441 ------------------------------------------------------------------- Cartesian Forces: Max 0.000208323 RMS 0.000092592 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 0.25133 Y1 0.00000 0.25133 Z1 0.00000 0.00000 0.24176 X2 -0.02515 0.00000 0.00000 0.02575 Y2 0.00000 -0.14241 0.07513 0.00000 0.16109 Z2 0.00000 0.10806 -0.08059 0.00000 -0.08626 X3 -0.11309 -0.05078 -0.06507 -0.00030 -0.00058 Y3 -0.05078 -0.05446 -0.03757 -0.01507 -0.00934 Z3 -0.09358 -0.05403 -0.08059 0.00937 0.00557 X4 -0.11309 0.05078 0.06507 -0.00030 0.00058 Y4 0.05078 -0.05446 -0.03757 0.01507 -0.00934 Z4 0.09358 -0.05403 -0.08059 -0.00937 0.00557 Z2 X3 Y3 Z3 X4 Z2 0.07325 X3 -0.00013 0.12725 Y3 -0.01090 0.05860 0.05959 Z3 0.00367 0.07471 0.04313 0.07325 X4 0.00013 -0.01386 0.00724 0.00951 0.12725 Y4 -0.01090 -0.00724 0.00422 0.00533 -0.05860 Z4 0.00367 -0.00951 0.00533 0.00367 -0.07471 Y4 Z4 Y4 0.05959 Z4 0.04313 0.07325 ITU= 0 Eigenvalues --- 0.05885 0.05885 0.06811 0.31481 0.33206 Eigenvalues --- 0.33206 Angle between quadratic step and forces= 34.15 degrees. ClnCor: largest displacement from symmetrization is 9.88D-10 for atom 4. Linear search not attempted -- first point. ClnCor: largest displacement from symmetrization is 2.22D-16 for atom 4. TrRot= 0.000000 0.000000 0.000104 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 0.24282 0.00021 0.00000 0.00014 0.00025 0.24306 X2 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 Y2 2.26131 0.00012 0.00000 0.00057 0.00057 2.26188 Z2 -1.21408 -0.00007 0.00000 -0.00019 -0.00008 -1.21417 X3 -1.95835 -0.00011 0.00000 -0.00049 -0.00049 -1.95885 Y3 -1.13066 -0.00006 0.00000 -0.00028 -0.00028 -1.13094 Z3 -1.21408 -0.00007 0.00000 -0.00019 -0.00008 -1.21417 X4 1.95835 0.00011 0.00000 0.00049 0.00049 1.95885 Y4 -1.13065 -0.00006 0.00000 -0.00028 -0.00028 -1.13094 Z4 -1.21408 -0.00007 0.00000 -0.00019 -0.00008 -1.21417 Item Value Threshold Converged? Maximum Force 0.000208 0.000450 YES RMS Force 0.000093 0.000300 YES Maximum Displacement 0.000570 0.001800 YES RMS Displacement 0.000297 0.001200 YES Predicted change in Energy=-1.391026D-07 Optimization completed. -- Stationary point found. GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad 1|1| IMPERIAL COLLEGE-CHWS-LAP45|Freq|RB3LYP|6-31G(d,p)|H3P1|NPA11|12- Oct-2013|0||# freq b3lyp/6-31g(d,p) geom=connectivity||NPA_PH3_Freq||0 ,1|P,0.,0.,0.128493|H,-0.0000002785,1.196634,-0.642465|H,-1.0363153038 ,-0.5983172412,-0.642465|H,1.0363155823,-0.5983167588,-0.642465||Versi on=EM64W-G09RevD.01|State=1-A1|HF=-343.1450677|RMSD=4.032e-009|RMSF=9. 259e-005|ZeroPoint=0.0240627|Thermal=0.0269676|Dipole=0.,0.,-0.3778964 |DipoleDeriv=0.3007937,0.,0.,0.,0.3008511,-0.0000261,0.,0.0000007,0.42 14954,-0.0430936,0.,0.,0.,-0.1574612,0.0634364,0.,0.2406527,-0.1405017 ,-0.1288597,-0.049518,-0.054933,-0.0495107,-0.0716902,-0.0317117,-0.20 84174,-0.1203266,-0.1404993,-0.1288597,0.049518,0.054933,0.0495107,-0. 0716902,-0.0317117,0.2084174,-0.1203265,-0.1404993|Polar=21.983239,0., 21.98171,0.,0.0003797,18.5963469|PG=C03V [C3(P1),3SGV(H1)]|NImag=0||0. 25133133,0.,0.25133219,0.,-0.00000105,0.24175585,-0.02514512,0.0000000 3,-0.00000002,0.02575110,0.00000003,-0.14240979,0.07513394,-0.00000003 ,0.16108899,-0.00000003,0.10806167,-0.08058504,0.00000002,-0.08626419, 0.07325227,-0.11309334,-0.05077685,-0.06506760,-0.00030288,-0.00058190 ,-0.00013402,0.12725449,-0.05077728,-0.05446127,-0.03756672,-0.0150703 5,-0.00933972,-0.01089855,0.05860304,0.05958560,-0.09358452,-0.0540306 0,-0.08058522,0.00937141,0.00556535,0.00366638,0.07470697,0.04313211,0 .07325227,-0.11309339,0.05077683,0.06506762,-0.00030288,0.00058191,0.0 0013403,-0.01385813,0.00724422,0.00950543,0.12725455,0.05077725,-0.054 46122,-0.03756669,0.01507035,-0.00933971,-0.01089855,-0.00724423,0.004 21554,0.00533321,-0.05860301,0.05958555,0.09358455,-0.05403055,-0.0805 8522,-0.00937141,0.00556534,0.00366638,-0.00950544,0.00533321,0.003666 38,-0.07470699,0.04313208,0.07325227||0.,0.,-0.00020832,0.,-0.00012250 ,0.00006944,0.00010608,0.00006125,0.00006944,-0.00010608,0.00006125,0. 00006944|||@ THERE IS MORE TO LIFE THAN INCREASING ITS SPEED. -- GANDHI Job cpu time: 0 days 0 hours 0 minutes 49.0 seconds. File lengths (MBytes): RWF= 5 Int= 0 D2E= 0 Chk= 1 Scr= 1 Normal termination of Gaussian 09 at Sat Oct 12 23:09:04 2013.