Default is to use a total of 4 processors: 4 via shared-memory 1 via Linda Entering Link 1 = C:\G09W\l1.exe PID= 2704. 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. The following legend is applicable only to US Government contracts under FAR: RESTRICTED RIGHTS LEGEND Use, reproduction and disclosure by the US Government is subject to restrictions as set forth in subparagraphs (a) and (c) of the Commercial Computer Software - Restricted Rights clause in FAR 52.227-19. Gaussian, Inc. 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492 --------------------------------------------------------------- Warning -- This program may not be used in any manner that competes with the business of Gaussian, Inc. or will provide assistance to any competitor of Gaussian, Inc. The licensee of this program is prohibited from giving any competitor of Gaussian, Inc. access to this program. 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 16-Oct-2014 ****************************************** %chk=\\icnas3.cc.ic.ac.uk\rs6112\Yr3CompLab\RS_NH3_freq.chk Default route: MaxDisk=10GB ---------------------------------------------------------------------- # freq b3lyp/6-31g(d,p) nosymm geom=connectivity integral=grid=ultrafi ne ---------------------------------------------------------------------- 1/10=4,30=1,38=1,57=2/1,3; 2/12=2,15=1,17=6,18=5,40=1/2; 3/5=1,6=6,7=101,11=2,16=1,25=1,30=1,71=2,74=-5,75=-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=1,31=1/1,2,10; 10/6=1,31=1/2; 6/7=2,8=2,9=2,10=2,18=1,28=1/1; 7/8=1,10=1,25=1,30=1/1,2,3,16; 1/10=4,30=1/3; 99//99; ------------------- Title Card Required ------------------- Symbolic Z-matrix: Charge = 0 Multiplicity = 1 N -0.52856 0.22523 -0.00001 H -0.13112 -0.71196 0.00003 H -0.1311 0.69378 0.81164 H -0.13115 0.69384 -0.81166 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 -0.528557 0.225229 -0.000005 2 1 0 -0.131117 -0.711956 0.000033 3 1 0 -0.131100 0.693781 0.811635 4 1 0 -0.131148 0.693835 -0.811663 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 1 N 0.000000 2 H 1.017976 0.000000 3 H 1.017975 1.623205 0.000000 4 H 1.017995 1.623299 1.623298 0.000000 Symmetry turned off by external request. Stoichiometry H3N Framework group C1[X(H3N)] Deg. of freedom 6 Full point group C1 NOp 1 Rotational constants (GHZ): 293.7440804 293.7092968 190.3057947 Standard basis: 6-31G(d,p) (6D, 7F) 30 basis functions, 49 primitive gaussians, 30 cartesian basis functions 5 alpha electrons 5 beta electrons nuclear repulsion energy 11.8944094889 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 off. 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=3 IRadAn= 5 AccDes= 0.00D+00 Harris functional with IExCor= 402 and IRadAn= 5 diagonalized for initial guess. HarFok: IExCor= 402 AccDes= 0.00D+00 IRadAn= 5 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 Symmetry not used in FoFCou. Keep R1 ints in memory in canonical form, NReq=992383. 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) = -56.5577687214 A.U. after 9 cycles NFock= 9 Conv=0.92D-08 -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=969073. There are 15 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 12 vectors produced by pass 0 Test12= 8.33D-16 6.67D-09 XBig12= 4.73D+00 1.15D+00. AX will form 12 AO Fock derivatives at one time. 12 vectors produced by pass 1 Test12= 8.33D-16 6.67D-09 XBig12= 3.33D-01 2.77D-01. 12 vectors produced by pass 2 Test12= 8.33D-16 6.67D-09 XBig12= 2.61D-03 1.93D-02. 12 vectors produced by pass 3 Test12= 8.33D-16 6.67D-09 XBig12= 1.35D-06 4.92D-04. 11 vectors produced by pass 4 Test12= 8.33D-16 6.67D-09 XBig12= 3.58D-10 1.05D-05. 4 vectors produced by pass 5 Test12= 8.33D-16 6.67D-09 XBig12= 9.34D-14 1.21D-07. InvSVY: IOpt=1 It= 1 EMax= 1.55D-15 Solved reduced A of dimension 63 with 12 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. ********************************************************************** Alpha occ. eigenvalues -- -14.30568 -0.84465 -0.45030 -0.45029 -0.25317 Alpha virt. eigenvalues -- 0.07985 0.16922 0.16923 0.67850 0.67853 Alpha virt. eigenvalues -- 0.71437 0.87555 0.87555 0.88552 1.13371 Alpha virt. eigenvalues -- 1.41877 1.41880 1.83051 2.09376 2.24216 Alpha virt. eigenvalues -- 2.24223 2.34638 2.34641 2.79254 2.95065 Alpha virt. eigenvalues -- 2.95070 3.19851 3.42892 3.42897 3.90461 Condensed to atoms (all electrons): 1 2 3 4 1 N 6.703116 0.337973 0.337973 0.337972 2 H 0.337973 0.487756 -0.032373 -0.032365 3 H 0.337973 -0.032373 0.487756 -0.032366 4 H 0.337972 -0.032365 -0.032366 0.487745 Mulliken charges: 1 1 N -0.717033 2 H 0.239010 3 H 0.239010 4 H 0.239013 Sum of Mulliken charges = 0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 N 0.000000 APT charges: 1 1 N -0.391078 2 H 0.130356 3 H 0.130356 4 H 0.130366 Sum of APT charges = 0.00000 APT charges with hydrogens summed into heavy atoms: 1 1 N 0.000000 Electronic spatial extent (au): = 35.1561 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= 1.8464 Y= 0.0000 Z= 0.0000 Tot= 1.8464 Quadrupole moment (field-independent basis, Debye-Ang): XX= -10.2341 YY= -6.1592 ZZ= -6.1590 XY= 0.4158 XZ= 0.0001 YZ= -0.0002 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= -2.7167 YY= 1.3582 ZZ= 1.3585 XY= 0.4158 XZ= 0.0001 YZ= -0.0002 Octapole moment (field-independent basis, Debye-Ang**2): XXX= 13.2532 YYY= -4.9306 ZZZ= 0.0000 XYY= 3.4642 XXY= -2.3050 XXZ= 0.0000 XZZ= 3.3705 YZZ= -0.6182 YYZ= -0.0001 XYZ= 0.0001 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -21.6308 YYYY= -12.2836 ZZZZ= -9.7163 XXXY= 2.9850 XXXZ= 0.0000 YYYX= 2.3017 YYYZ= 0.0000 ZZZX= 0.0000 ZZZY= 0.0000 XXYY= -5.5201 XXZZ= -5.0010 YYZZ= -3.2048 XXYZ= 0.0000 YYXZ= 0.0000 ZZXY= 0.7559 N-N= 1.189440948892D+01 E-N=-1.556683300480D+02 KE= 5.604579777472D+01 Exact polarizability: 6.067 0.000 9.826 0.000 0.000 9.827 Approx polarizability: 7.116 0.000 11.922 0.000 -0.001 11.923 Calling FoFJK, ICntrl= 100127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. Full mass-weighted force constant matrix: Low frequencies --- -6.5859 -0.0013 0.0016 0.0019 11.4596 16.1959 Low frequencies --- 1089.3549 1693.9214 1693.9587 Diagonal vibrational polarizability: 3.3004905 0.1277290 0.1277009 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 -- 1089.3549 1693.9214 1693.9587 Red. masses -- 1.1800 1.0644 1.0644 Frc consts -- 0.8250 1.7995 1.7996 IR Inten -- 145.4357 13.5601 13.5552 Atom AN X Y Z X Y Z X Y Z 1 7 0.12 0.00 0.00 0.00 0.06 0.03 0.00 0.03 -0.06 2 1 -0.53 -0.21 0.00 0.23 0.13 -0.34 0.12 0.07 0.68 3 1 -0.53 0.11 0.18 -0.22 -0.30 0.31 0.14 -0.59 0.25 4 1 -0.53 0.11 -0.18 -0.01 -0.65 -0.39 -0.26 0.11 -0.11 4 5 6 A A A Frequencies -- 3461.2229 3589.7270 3589.8376 Red. masses -- 1.0272 1.0883 1.0883 Frc consts -- 7.2507 8.2631 8.2635 IR Inten -- 1.0593 0.2693 0.2703 Atom AN X Y Z X Y Z X Y Z 1 7 -0.04 0.00 0.00 0.00 -0.05 0.06 0.00 0.06 0.05 2 1 0.18 -0.55 0.00 -0.18 0.44 0.02 0.25 -0.61 0.01 3 1 0.18 0.27 0.47 -0.13 -0.17 -0.26 -0.28 -0.33 -0.60 4 1 0.18 0.27 -0.48 0.31 0.37 -0.65 0.03 0.06 -0.05 ------------------- - 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 -- 6.14392 6.14465 9.48337 X 0.00005 0.00001 1.00000 Y -0.50288 0.86436 0.00002 Z 0.86436 0.50288 -0.00005 This molecule is an asymmetric top. Rotational symmetry number 1. Rotational temperatures (Kelvin) 14.09748 14.09581 9.13323 Rotational constants (GHZ): 293.74408 293.70930 190.30579 Zero-point vibrational energy 90425.9 (Joules/Mol) 21.61230 (Kcal/Mol) Vibrational temperatures: 1567.34 2437.17 2437.23 4979.92 5164.81 (Kelvin) 5164.97 Zero-point correction= 0.034441 (Hartree/Particle) Thermal correction to Energy= 0.037304 Thermal correction to Enthalpy= 0.038248 Thermal correction to Gibbs Free Energy= 0.015365 Sum of electronic and zero-point Energies= -56.523327 Sum of electronic and thermal Energies= -56.520464 Sum of electronic and thermal Enthalpies= -56.519520 Sum of electronic and thermal Free Energies= -56.542404 E (Thermal) CV S KCal/Mol Cal/Mol-Kelvin Cal/Mol-Kelvin Total 23.409 6.326 48.162 Electronic 0.000 0.000 0.000 Translational 0.889 2.981 34.441 Rotational 0.889 2.981 13.646 Vibrational 21.631 0.364 0.075 Q Log10(Q) Ln(Q) Total Bot 0.856156D-07 -7.067447 -16.273398 Total V=0 0.594920D+09 8.774459 20.203938 Vib (Bot) 0.144747D-15 -15.839392 -36.471547 Vib (V=0) 0.100581D+01 0.002514 0.005789 Electronic 0.100000D+01 0.000000 0.000000 Translational 0.276150D+07 6.441145 14.831285 Rotational 0.214190D+03 2.330799 5.366864 ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 7 0.000007439 0.000002262 -0.000004620 2 1 -0.000001868 0.000004593 -0.000009136 3 1 -0.000001655 0.000005818 -0.000008157 4 1 -0.000003916 -0.000012674 0.000021913 ------------------------------------------------------------------- Cartesian Forces: Max 0.000021913 RMS 0.000008893 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 0.22810 Y1 -0.00002 0.63157 Z1 0.00004 0.00000 0.63157 X2 -0.07603 0.17856 0.00000 0.07583 Y2 0.11894 -0.36067 0.00001 -0.14162 0.39659 Z2 0.00000 0.00001 -0.06039 0.00000 -0.00001 X3 -0.07604 -0.08928 -0.15464 0.00011 0.01134 Y3 -0.05947 -0.13545 -0.13002 -0.01847 -0.01797 Z3 -0.10301 -0.13002 -0.28561 -0.00243 0.00278 X4 -0.07602 -0.08926 0.15461 0.00010 0.01134 Y4 -0.05945 -0.13546 0.13001 -0.01847 -0.01796 Z4 0.10298 0.13001 -0.28558 0.00243 -0.00278 Z2 X3 Y3 Z3 X4 Z2 0.05983 X3 0.01478 0.07583 Y3 -0.03438 0.07081 0.14402 Z3 0.00028 0.12265 0.14582 0.31241 X4 -0.01479 0.00010 0.00714 -0.01721 0.07582 Y4 0.03438 0.00714 0.00940 -0.01858 0.07079 Z4 0.00028 0.01721 0.01858 -0.02708 -0.12261 Y4 Z4 Y4 0.14402 Z4 -0.14581 0.31238 ITU= 0 Eigenvalues --- 0.09781 0.13741 0.13742 0.55427 0.86381 Eigenvalues --- 0.86384 Angle between quadratic step and forces= 39.33 degrees. Linear search not attempted -- first point. TrRot= -0.000004 -0.000003 0.000005 0.000001 0.000003 0.000001 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) X1 -0.99883 0.00001 0.00000 -0.00001 -0.00001 -0.99884 Y1 0.42562 0.00000 0.00000 -0.00001 -0.00001 0.42561 Z1 -0.00001 0.00000 0.00000 0.00002 0.00002 0.00001 X2 -0.24778 0.00000 0.00000 0.00000 0.00000 -0.24777 Y2 -1.34540 0.00000 0.00000 0.00001 0.00000 -1.34540 Z2 0.00006 -0.00001 0.00000 -0.00007 -0.00007 0.00000 X3 -0.24774 0.00000 0.00000 0.00000 0.00000 -0.24774 Y3 1.31106 0.00001 0.00000 0.00006 0.00006 1.31111 Z3 1.53377 -0.00001 0.00000 -0.00004 -0.00004 1.53373 X4 -0.24783 0.00000 0.00000 0.00002 0.00001 -0.24782 Y4 1.31116 -0.00001 0.00000 -0.00004 -0.00005 1.31111 Z4 -1.53382 0.00002 0.00000 0.00007 0.00008 -1.53374 Item Value Threshold Converged? Maximum Force 0.000022 0.000450 YES RMS Force 0.000009 0.000300 YES Maximum Displacement 0.000080 0.001800 YES RMS Displacement 0.000039 0.001200 YES Predicted change in Energy=-1.642376D-09 Optimization completed. -- Stationary point found. GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad 1|1| IMPERIAL COLLEGE-CHWS-262|Freq|RB3LYP|6-31G(d,p)|H3N1|RS6112|16-O ct-2014|0||# freq b3lyp/6-31g(d,p) nosymm geom=connectivity integral=g rid=ultrafine||Title Card Required||0,1|N,-0.528557,0.225229,-0.000005 |H,-0.131117,-0.711956,0.000033|H,-0.1311,0.693781,0.811635|H,-0.13114 8,0.693835,-0.811663||Version=EM64W-G09RevD.01|HF=-56.5577687|RMSD=9.1 74e-009|RMSF=8.893e-006|ZeroPoint=0.0344414|Thermal=0.0373043|Dipole=0 .7264384,-0.0000086,-0.0000004|DipoleDeriv=-0.5554917,0.0000018,0.0000 042,-0.0000039,-0.3088738,-0.0000053,0.0000131,-0.0000053,-0.3088672,0 .1851621,0.1861312,0.000005,0.093774,0.0445831,-0.0000066,-0.0000033,0 .0000092,0.1613221,0.1851568,-0.0930721,-0.1611944,-0.046886,0.1321409 ,-0.0505376,-0.081215,-0.0505546,0.0737689,0.1851728,-0.0930609,0.1611 851,-0.0468841,0.1321498,0.0505495,0.0812052,0.0505507,0.0737762|Polar =6.0674734,-0.0000658,9.8263299,0.0001955,-0.0003498,9.826726|PG=C01 [ X(H3N1)]|NImag=0||0.22809774,-0.00001711,0.63157460,0.00003830,-0.0000 0105,0.63157328,-0.07603450,0.17856105,-0.00000268,0.07582627,0.118942 00,-0.36066591,0.00001103,-0.14161603,0.39659099,-0.00000282,0.0000107 6,-0.06038581,0.00000459,-0.00000677,0.05982769,-0.07604159,-0.0892807 3,-0.15464321,0.00010590,0.01133784,0.01478356,0.07583318,-0.05947107, -0.13545058,-0.13002277,-0.01847251,-0.01796647,-0.03438098,0.07080697 ,0.14401659,-0.10301168,-0.13002313,-0.28560813,-0.00242717,0.00277939 ,0.00027803,0.12264946,0.14582330,0.31240919,-0.07602164,-0.08926322,0 .15460759,0.00010233,0.01133620,-0.01478532,0.00010251,0.00713661,-0.0 1721061,0.07581680,-0.05945381,-0.13545811,0.13001279,-0.01847250,-0.0 1795861,0.03437698,0.00713591,0.00940046,-0.01857957,0.07079041,0.1440 1627,0.10297620,0.13001343,-0.28557934,0.00242526,-0.00278366,0.000280 09,0.01721019,0.01858044,-0.02707909,-0.12261165,-0.14581021,0.3123783 5||-0.00000744,-0.00000226,0.00000462,0.00000187,-0.00000459,0.0000091 4,0.00000165,-0.00000582,0.00000816,0.00000392,0.00001267,-0.00002191| ||@ DEPRESSION IS WAITING FOR YOUR SHIP TO COME IN, AND FINDING OUT IT'S THE TITANIC. Job cpu time: 0 days 0 hours 0 minutes 8.0 seconds. File lengths (MBytes): RWF= 5 Int= 0 D2E= 0 Chk= 1 Scr= 1 Normal termination of Gaussian 09 at Thu Oct 16 15:26:41 2014.