Default is to use a total of 4 processors: 4 via shared-memory 1 via Linda Entering Link 1 = C:\G09W\l1.exe PID= 1540. 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_AlH3_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_AlH3_Freq ------------- Symbolic Z-matrix: Charge = 0 Multiplicity = 1 Al 0. 0. 0. H 0. 1.5868 0. H 1.37421 -0.7934 0. H -1.37421 -0.7934 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 13 0 0.000000 0.000000 0.000000 2 1 0 0.000000 1.586798 0.000000 3 1 0 1.374208 -0.793399 0.000000 4 1 0 -1.374208 -0.793399 0.000000 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 1 Al 0.000000 2 H 1.586798 0.000000 3 H 1.586799 2.748415 0.000000 4 H 1.586799 2.748415 2.748416 0.000000 Stoichiometry AlH3 Framework group D3H[O(Al),3C2(H)] Deg. of freedom 1 Full point group D3H NOp 12 Largest Abelian subgroup C2V NOp 4 Largest concise Abelian subgroup C2 NOp 2 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 13 0 0.000000 0.000000 0.000000 2 1 0 0.000000 1.586798 0.000000 3 1 0 1.374207 -0.793399 0.000000 4 1 0 -1.374207 -0.793399 0.000000 --------------------------------------------------------------------- Rotational constants (GHZ): 132.7692509 132.7692509 66.3846255 Standard basis: 6-31G(d,p) (6D, 7F) There are 17 symmetry adapted cartesian basis functions of A1 symmetry. There are 2 symmetry adapted cartesian basis functions of A2 symmetry. There are 9 symmetry adapted cartesian basis functions of B1 symmetry. There are 6 symmetry adapted cartesian basis functions of B2 symmetry. There are 17 symmetry adapted basis functions of A1 symmetry. There are 2 symmetry adapted basis functions of A2 symmetry. There are 9 symmetry adapted basis functions of B1 symmetry. There are 6 symmetry adapted basis functions of B2 symmetry. 34 basis functions, 73 primitive gaussians, 34 cartesian basis functions 8 alpha electrons 8 beta electrons nuclear repulsion energy 13.5836274980 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= 2.07D-02 NBF= 17 2 9 6 NBsUse= 34 1.00D-06 EigRej= -1.00D+00 NBFU= 17 2 9 6 ExpMin= 5.57D-02 ExpMax= 1.40D+04 ExpMxC= 2.10D+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') (A2") (A1') (E') (E') Virtual (A2") (A1') (E') (E') (A1') (E') (E') (A2") (E") (E") (E') (E') (A1') (A1') (E') (E') (A2') (A2") (A1') (E") (E") (E') (E') (A1') (E') (E') The electronic state of the initial guess is 1-A1'. Keep R1 ints in memory in symmetry-blocked form, NReq=1062406. 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) = -244.206938917 A.U. after 9 cycles NFock= 9 Conv=0.25D-08 -V/T= 2.0040 DoSCS=F DFT=T ScalE2(SS,OS)= 1.000000 1.000000 Range of M.O.s used for correlation: 1 34 NBasis= 34 NAE= 8 NBE= 8 NFC= 0 NFV= 0 NROrb= 34 NOA= 8 NOB= 8 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=1039727. There are 9 degrees of freedom in the 1st order CPHF. IDoFFX=4 NUNeed= 9. 9 vectors produced by pass 0 Test12= 2.31D-15 1.11D-08 XBig12= 2.02D+01 3.31D+00. AX will form 9 AO Fock derivatives at one time. 9 vectors produced by pass 1 Test12= 2.31D-15 1.11D-08 XBig12= 1.75D-01 1.84D-01. 9 vectors produced by pass 2 Test12= 2.31D-15 1.11D-08 XBig12= 1.84D-04 5.80D-03. 9 vectors produced by pass 3 Test12= 2.31D-15 1.11D-08 XBig12= 4.72D-07 3.09D-04. 8 vectors produced by pass 4 Test12= 2.31D-15 1.11D-08 XBig12= 2.72D-10 6.88D-06. 3 vectors produced by pass 5 Test12= 2.31D-15 1.11D-08 XBig12= 3.47D-13 3.14D-07. InvSVY: IOpt=1 It= 1 EMax= 4.70D-16 Solved reduced A of dimension 47 with 9 vectors. Isotropic polarizability for W= 0.000000 23.50 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') (A2") (E') (E') (A1') (E') (E') Virtual (A2") (A1') (E') (E') (A1') (A2") (E') (E') (E") (E") (A1') (E') (E') (A1') (E') (E') (A2') (A1') (A2") (E") (E") (E') (E') (A1') (E') (E') The electronic state is 1-A1'. Alpha occ. eigenvalues -- -56.05087 -4.14109 -2.69944 -2.69059 -2.69059 Alpha occ. eigenvalues -- -0.42269 -0.30635 -0.30635 Alpha virt. eigenvalues -- -0.07118 0.05899 0.06672 0.06672 0.10951 Alpha virt. eigenvalues -- 0.19421 0.19907 0.19907 0.45391 0.45391 Alpha virt. eigenvalues -- 0.57455 0.58463 0.58463 0.95661 1.05710 Alpha virt. eigenvalues -- 1.05710 2.01295 2.05437 2.08894 2.14252 Alpha virt. eigenvalues -- 2.14252 2.19361 2.19361 2.51959 2.67567 Alpha virt. eigenvalues -- 2.67567 Condensed to atoms (all electrons): 1 2 3 4 1 Al 11.436126 0.393845 0.393845 0.393845 2 H 0.393845 0.752888 -0.009643 -0.009643 3 H 0.393845 -0.009643 0.752888 -0.009643 4 H 0.393845 -0.009643 -0.009643 0.752888 Mulliken charges: 1 1 Al 0.382340 2 H -0.127447 3 H -0.127447 4 H -0.127447 Sum of Mulliken charges = 0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 Al 0.000000 APT charges: 1 1 Al 1.085068 2 H -0.361689 3 H -0.361689 4 H -0.361689 Sum of APT charges = 0.00000 APT charges with hydrogens summed into heavy atoms: 1 1 Al 0.000000 Electronic spatial extent (au): = 62.3876 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= 0.0000 Y= 0.0000 Z= 0.0000 Tot= 0.0000 Quadrupole moment (field-independent basis, Debye-Ang): XX= -17.9458 YY= -17.9458 ZZ= -11.7395 XY= 0.0000 XZ= 0.0000 YZ= 0.0000 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= -2.0688 YY= -2.0688 ZZ= 4.1375 XY= 0.0000 XZ= 0.0000 YZ= 0.0000 Octapole moment (field-independent basis, Debye-Ang**2): XXX= 0.0000 YYY= -2.2189 ZZZ= 0.0000 XYY= 0.0000 XXY= 2.2189 XXZ= 0.0000 XZZ= 0.0000 YZZ= 0.0000 YYZ= 0.0000 XYZ= 0.0000 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -59.0113 YYYY= -59.0113 ZZZZ= -14.3410 XXXY= 0.0000 XXXZ= 0.0000 YYYX= 0.0000 YYYZ= 0.0000 ZZZX= 0.0000 ZZZY= 0.0000 XXYY= -19.6704 XXZZ= -12.0144 YYZZ= -12.0144 XXYZ= 0.0000 YYXZ= 0.0000 ZZXY= 0.0000 N-N= 1.358362749795D+01 E-N=-6.088412166854D+02 KE= 2.432410310702D+02 Symmetry A1 KE= 2.025930205699D+02 Symmetry A2 KE= 4.246757634043D-23 Symmetry B1 KE= 2.101754030381D+01 Symmetry B2 KE= 1.963047019649D+01 Exact polarizability: 26.980 0.000 26.979 0.000 0.000 16.548 Approx polarizability: 33.214 0.000 33.214 0.000 0.000 21.117 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 --- -0.0899 -0.0068 -0.0021 33.0152 34.6861 34.6861 Low frequencies --- 708.2605 791.3120 791.3128 Diagonal vibrational polarizability: 11.0786469 11.0785514 17.2360730 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 A2" E' E' Frequencies -- 708.2605 791.3120 791.3128 Red. masses -- 1.1161 1.0584 1.0584 Frc consts -- 0.3299 0.3905 0.3905 IR Inten -- 321.2856 213.6830 213.6898 Atom AN X Y Z X Y Z X Y Z 1 13 0.00 0.00 0.06 0.00 0.04 0.00 -0.04 0.00 0.00 2 1 0.00 0.00 -0.58 0.00 0.03 0.00 0.82 0.00 0.00 3 1 0.00 0.00 -0.58 -0.37 -0.60 0.00 0.18 0.37 0.00 4 1 0.00 0.00 -0.58 0.37 -0.60 0.00 0.18 -0.37 0.00 4 5 6 A1' E' E' Frequencies -- 1927.6844 1940.2705 1940.2721 Red. masses -- 1.0078 1.0600 1.0600 Frc consts -- 2.2065 2.3512 2.3513 IR Inten -- 0.0000 265.1039 265.0795 Atom AN X Y Z X Y Z X Y Z 1 13 0.00 0.00 0.00 0.00 0.04 0.00 0.04 0.00 0.00 2 1 0.00 0.58 0.00 0.00 -0.82 0.00 0.02 0.00 0.00 3 1 0.50 -0.29 0.00 0.36 -0.19 0.00 -0.61 0.36 0.00 4 1 -0.50 -0.29 0.00 -0.36 -0.19 0.00 -0.61 -0.36 0.00 ------------------- - Thermochemistry - ------------------- Temperature 298.150 Kelvin. Pressure 1.00000 Atm. Atom 1 has atomic number 13 and mass 26.98154 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: 30.00502 amu. Principal axes and moments of inertia in atomic units: 1 2 3 Eigenvalues -- 13.59307 13.59307 27.18613 X 0.75926 0.65079 0.00000 Y -0.65079 0.75926 0.00000 Z 0.00000 0.00000 1.00000 This molecule is an oblate symmetric top. Rotational symmetry number 6. Rotational temperatures (Kelvin) 6.37191 6.37191 3.18596 Rotational constants (GHZ): 132.76925 132.76925 66.38463 Zero-point vibrational energy 48443.4 (Joules/Mol) 11.57826 (Kcal/Mol) Vibrational temperatures: 1019.03 1138.52 1138.52 2773.50 2791.61 (Kelvin) 2791.62 Zero-point correction= 0.018451 (Hartree/Particle) Thermal correction to Energy= 0.021557 Thermal correction to Enthalpy= 0.022501 Thermal correction to Gibbs Free Energy= -0.001051 Sum of electronic and zero-point Energies= -244.188488 Sum of electronic and thermal Energies= -244.185382 Sum of electronic and thermal Enthalpies= -244.184437 Sum of electronic and thermal Free Energies= -244.207990 E (Thermal) CV S KCal/Mol Cal/Mol-Kelvin Cal/Mol-Kelvin Total 13.527 8.151 49.570 Electronic 0.000 0.000 0.000 Translational 0.889 2.981 36.130 Rotational 0.889 2.981 12.710 Vibrational 11.750 2.189 0.731 Q Log10(Q) Ln(Q) Total Bot 0.304364D+01 0.483393 1.113053 Total V=0 0.933916D+09 8.970308 20.654897 Vib (Bot) 0.352339D-08 -8.453040 -19.463843 Vib (V=0) 0.108112D+01 0.033876 0.078001 Electronic 0.100000D+01 0.000000 0.000000 Translational 0.646020D+07 6.810246 15.681171 Rotational 0.133717D+03 2.126186 4.895725 ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 13 0.000000000 0.000000000 0.000000000 2 1 0.000000000 -0.000148641 0.000000000 3 1 -0.000128727 0.000074321 0.000000000 4 1 0.000128727 0.000074320 0.000000000 ------------------------------------------------------------------- Cartesian Forces: Max 0.000148641 RMS 0.000074321 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 0.22842 Y1 0.00000 0.22841 Z1 0.00000 0.00000 0.05161 X2 -0.01939 0.00000 0.00000 0.01516 Y2 0.00000 -0.13288 0.00000 0.00000 0.13805 Z2 0.00000 0.00000 -0.01720 0.00000 0.00000 X3 -0.10451 0.04914 0.00000 0.00211 0.00063 Y3 0.04915 -0.04776 0.00000 0.00751 -0.00258 Z3 0.00000 0.00000 -0.01720 0.00000 0.00000 X4 -0.10451 -0.04914 0.00000 0.00211 -0.00063 Y4 -0.04915 -0.04776 0.00000 -0.00751 -0.00258 Z4 0.00000 0.00000 -0.01720 0.00000 0.00000 Z2 X3 Y3 Z3 X4 Z2 0.00577 X3 0.00000 0.10733 Y3 0.00000 -0.05321 0.04588 Z3 0.00572 0.00000 0.00000 0.00577 X4 0.00000 -0.00493 -0.00344 0.00000 0.10733 Y4 0.00000 0.00344 0.00446 0.00000 0.05321 Z4 0.00572 0.00000 0.00000 0.00572 0.00000 Y4 Z4 Y4 0.04588 Z4 0.00000 0.00577 ITU= 0 Eigenvalues --- 0.03262 0.03262 0.04692 0.14173 0.25781 Eigenvalues --- 0.25781 Angle between quadratic step and forces= 0.00 degrees. ClnCor: largest displacement from symmetrization is 9.64D-10 for atom 4. Linear search not attempted -- first point. ClnCor: largest displacement from symmetrization is 1.49D-15 for atom 3. TrRot= 0.000000 0.000000 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 0.00000 0.00000 Y1 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 Z1 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 X2 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 Y2 2.99861 -0.00015 0.00000 -0.00105 -0.00105 2.99756 Z2 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 X3 2.59688 -0.00013 0.00000 -0.00091 -0.00091 2.59597 Y3 -1.49931 0.00007 0.00000 0.00052 0.00052 -1.49878 Z3 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 X4 -2.59688 0.00013 0.00000 0.00091 0.00091 -2.59597 Y4 -1.49931 0.00007 0.00000 0.00052 0.00052 -1.49878 Z4 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 Item Value Threshold Converged? Maximum Force 0.000149 0.000450 YES RMS Force 0.000074 0.000300 YES Maximum Displacement 0.001049 0.001800 YES RMS Displacement 0.000524 0.001200 YES Predicted change in Energy=-2.338408D-07 Optimization completed. -- Stationary point found. GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad 1|1| IMPERIAL COLLEGE-CHWS-LAP45|Freq|RB3LYP|6-31G(d,p)|Al1H3|NPA11|12 -Oct-2013|0||# freq b3lyp/6-31g(d,p) geom=connectivity||NPA_AlH3_Freq| |0,1|Al,0.,0.,0.|H,0.0000003107,1.586798,0.|H,1.3742072233,-0.79339926 9,0.|H,-1.374207534,-0.793398731,0.||Version=EM64W-G09RevD.01|State=1- A1'|HF=-244.2069389|RMSD=2.544e-009|RMSF=7.432e-005|ZeroPoint=0.018451 1|Thermal=0.0215573|Dipole=0.,0.,0.|DipoleDeriv=1.1542756,0.,0.,0.,1.1 543111,0.,0.,0.,0.9466166,-0.3661093,0.,0.,0.,-0.4034434,0.,0.,0.,-0.3 155155,-0.3940965,0.0161671,0.,0.0161544,-0.3754384,0.,0.,0.,-0.315533 ,-0.3940965,-0.0161671,0.,-0.0161544,-0.3754384,0.,0.,0.,-0.315533|Pol ar=26.9804382,0.,26.9785409,0.,0.,16.547594|PG=D03H [O(Al1),3C2(H1)]|N Imag=0||0.22841921,0.,0.22841152,0.,0.,0.05161249,-0.01938963,-0.00000 002,0.,0.01515961,-0.00000002,-0.13288465,0.,0.00000002,0.13805130,0., 0.,-0.01720425,0.,0.,0.00576534,-0.10451282,0.04914490,0.,0.00211489,0 .00062997,0.,0.10732836,0.04914531,-0.04776343,0.,0.00750737,-0.002583 21,0.,-0.05321368,0.04588255,0.,0.,-0.01720418,0.,0.,0.00571945,0.,0., 0.00576534,-0.10451286,-0.04914488,0.,0.00211489,-0.00062997,0.,-0.004 93225,-0.00343870,0.,0.10732840,-0.04914528,-0.04776339,0.,-0.00750737 ,-0.00258320,0.,0.00343870,0.00446394,0.,0.05321365,0.04588251,0.,0.,- 0.01720418,0.,0.,0.00571945,0.,0.,0.00571945,0.,0.,0.00576534||0.,0.,0 .,0.,0.00014864,0.,0.00012873,-0.00007432,0.,-0.00012873,-0.00007432,0 .|||@ THESE ARE THE TIMES THAT TRY MENS SOULS. THE SUMMER SOLDIER AND THE SUNSHINE PATRIOT WILL IN THIS CRISIS, SHRINK FROM THE SERVICE OF HIS COUNTRY. BUT HE THAT STANDS NOW, DESERVES THE LOVE AND THANKS OF MAN AND WOMAN. TYRANNY, LIKE HELL, IS NOT EASILY CONQUERED, YET WE HAVE THIS CONSOLATION WITH US, THAT THE HARDER THE CONFLICT, THE MORE GLORIOUS THE TRIUMPH. WHAT WE OBTAIN TOO CHEAP, WE ESTEEM TOO LIGHTLY, 'TIS DEARNESS ONLY THAT GIVES EVERYTHING ITS VALUE. -- TOM PAINE Job cpu time: 0 days 0 hours 0 minutes 24.0 seconds. File lengths (MBytes): RWF= 5 Int= 0 D2E= 0 Chk= 1 Scr= 1 Normal termination of Gaussian 09 at Sat Oct 12 14:02:45 2013.