Entering Link 1 = C:\G09W\l1.exe PID= 2700. Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2011, 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 C.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, 2010. ****************************************** Gaussian 09: EM64W-G09RevC.01 23-Sep-2011 21-Jan-2013 ****************************************** %chk=\\ic.ac.uk\homes\cma209\Desktop\3rd Yr Lab\NH3_FREQ.chk ------------------------------------------------ # freq b3lyp/6-31g(d,p) nosymm geom=connectivity ------------------------------------------------ 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=-5/1,2,3; 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; ---------------- NH3 Optimisation ---------------- Charge = 0 Multiplicity = 1 Symbolic Z-Matrix: N -0.40873 -0.63937 0.00004 H -0.01131 -1.57662 -0.00004 H -0.01129 -0.17067 0.81168 H -0.01129 -0.17073 -0.81167 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 -0.408731 -0.639369 0.000037 2 1 0 -0.011308 -1.576619 -0.000044 3 1 0 -0.011289 -0.170673 0.811676 4 1 0 -0.011294 -0.170729 -0.811668 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 1 N 0.000000 2 H 1.018029 0.000000 3 H 1.018034 1.623445 0.000000 4 H 1.018059 1.623348 1.623344 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): 293.7142772 293.6774934 190.2795564 Standard basis: 6-31G(d,p) (6D, 7F) Integral buffers will be 131072 words long. Raffenetti 2 integral format. Two-electron integral symmetry is turned off. 30 basis functions, 49 primitive gaussians, 30 cartesian basis functions 5 alpha electrons 5 beta electrons nuclear repulsion energy 11.8937097806 Hartrees. NAtoms= 4 NActive= 4 NUniq= 4 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F One-electron integrals computed using PRISM. NBasis= 30 RedAO= T NBF= 30 NBsUse= 30 1.00D-06 NBFU= 30 Harris functional with IExCor= 402 diagonalized for initial guess. ExpMin= 1.61D-01 ExpMax= 4.17D+03 ExpMxC= 6.27D+02 IAcc=1 IRadAn= 1 AccDes= 0.00D+00 HarFok: IExCor= 402 AccDes= 0.00D+00 IRadAn= 1 IDoV= 1 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 Omega= 0.000000 0.000000 1.000000 0.000000 0.000000 ICntrl= 500 IOpCl= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 I1Cent= 4 NGrid= 0. Symmetry not used in FoFCou. 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. Keep R1 ints in memory in canonical form, NReq=1020743. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RB3LYP) = -56.5577685441 A.U. after 10 cycles Convg = 0.3787D-09 -V/T = 2.0091 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 doing MaxLOS=2. Calling FoFCou, ICntrl= 3107 FMM=F I1Cent= 0 AccDes= 0.00D+00. FoFDir/FoFCou used for L=0 through L=2. End of G2Drv Frequency-dependent properties file 721 does not exist. End of G2Drv Frequency-dependent properties file 722 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=929672. There are 15 degrees of freedom in the 1st order CPHF. IDoFFX=5. 12 vectors produced by pass 0 Test12= 8.33D-16 6.67D-09 XBig12= 4.73D+00 1.17D+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 4.91D-04. 11 vectors produced by pass 4 Test12= 8.33D-16 6.67D-09 XBig12= 3.57D-10 1.05D-05. 4 vectors produced by pass 5 Test12= 8.33D-16 6.67D-09 XBig12= 9.32D-14 1.21D-07. Inverted reduced A of dimension 63 with in-core refinement. Isotropic polarizability for W= 0.000000 8.57 Bohr**3. End of Minotr Frequency-dependent properties file 721 does not exist. End of Minotr Frequency-dependent properties file 722 does not exist. ********************************************************************** Population analysis using the SCF density. ********************************************************************** Alpha occ. eigenvalues -- -14.30570 -0.84463 -0.45030 -0.45026 -0.25317 Alpha virt. eigenvalues -- 0.07984 0.16920 0.16921 0.67851 0.67855 Alpha virt. eigenvalues -- 0.71437 0.87551 0.87553 0.88544 1.13369 Alpha virt. eigenvalues -- 1.41877 1.41882 1.83050 2.09371 2.24206 Alpha virt. eigenvalues -- 2.24212 2.34630 2.34639 2.79241 2.95056 Alpha virt. eigenvalues -- 2.95059 3.19836 3.42884 3.42885 3.90457 Condensed to atoms (all electrons): 1 2 3 4 1 N 6.703173 0.337956 0.337956 0.337949 2 H 0.337956 0.487751 -0.032358 -0.032367 3 H 0.337956 -0.032358 0.487754 -0.032368 4 H 0.337949 -0.032367 -0.032368 0.487785 Mulliken atomic charges: 1 1 N -0.717033 2 H 0.239017 3 H 0.239015 4 H 0.239001 Sum of Mulliken atomic charges = 0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 N 0.000000 Sum of Mulliken charges with hydrogens summed into heavy atoms = 0.00000 APT atomic charges: 1 1 N -0.390990 2 H 0.130338 3 H 0.130339 4 H 0.130314 Sum of APT charges= 0.00000 APT Atomic charges with hydrogens summed into heavy atoms: 1 1 N 0.000000 2 H 0.000000 3 H 0.000000 4 H 0.000000 Sum of APT charges= 0.00000 Electronic spatial extent (au): = 44.6246 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= 1.8463 Y= 0.0000 Z= -0.0001 Tot= 1.8463 Quadrupole moment (field-independent basis, Debye-Ang): XX= -9.7918 YY= -6.1589 ZZ= -6.1592 XY= -1.1804 XZ= 0.0000 YZ= 0.0003 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= -2.4218 YY= 1.2110 ZZ= 1.2108 XY= -1.1804 XZ= 0.0000 YZ= 0.0003 Octapole moment (field-independent basis, Debye-Ang**2): XXX= 9.6537 YYY= 11.0442 ZZZ= -0.0005 XYY= 3.3872 XXY= 6.2605 XXZ= -0.0002 XZZ= 2.6325 YZZ= 4.7071 YYZ= -0.0005 XYZ= 0.0000 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -16.1477 YYYY= -22.8559 ZZZZ= -9.7172 XXXY= -6.1723 XXXZ= 0.0003 YYYX= -5.6208 YYYZ= 0.0007 ZZZX= 0.0003 ZZZY= 0.0003 XXYY= -8.2846 XXZZ= -4.2819 YYZZ= -6.7402 XXYZ= 0.0001 YYXZ= 0.0001 ZZXY= -1.5942 N-N= 1.189370978062D+01 E-N=-1.556667853944D+02 KE= 5.604551532006D+01 Exact polarizability: 6.068 0.000 9.828 0.000 0.000 9.828 Approx polarizability: 7.117 0.000 11.925 -0.001 0.000 11.924 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 --- -9.4755 -0.0018 -0.0016 0.0011 33.0385 39.6310 Low frequencies --- 1089.7822 1694.1610 1694.3194 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 -- 1089.7821 1694.1610 1694.3194 Red. masses -- 1.1800 1.0645 1.0644 Frc consts -- 0.8257 1.8001 1.8004 IR Inten -- 145.4160 13.5550 13.5515 Atom AN X Y Z X Y Z X Y Z 1 7 0.12 0.00 0.00 0.00 0.02 -0.06 0.00 0.06 0.02 2 1 -0.53 -0.21 0.00 0.08 0.05 0.72 0.25 0.14 -0.24 3 1 -0.53 0.11 0.18 0.17 -0.54 0.20 -0.19 -0.38 0.35 4 1 -0.53 0.11 -0.18 -0.25 0.20 -0.05 -0.05 -0.63 -0.40 4 5 6 A A A Frequencies -- 3460.2417 3588.5904 3588.8523 Red. masses -- 1.0272 1.0883 1.0884 Frc consts -- 7.2465 8.2578 8.2591 IR Inten -- 1.0611 0.2729 0.2702 Atom AN X Y Z X Y Z X Y Z 1 7 -0.04 0.00 0.00 0.00 -0.04 0.07 0.00 0.07 0.04 2 1 0.18 -0.55 0.00 -0.15 0.36 0.02 0.27 -0.66 0.01 3 1 0.18 0.27 0.47 -0.16 -0.22 -0.33 -0.26 -0.31 -0.56 4 1 0.18 0.27 -0.48 0.31 0.38 -0.65 -0.01 0.01 0.03 ------------------- - 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 -- 6.14455 6.14532 9.48468 X 0.00002 -0.00006 1.00000 Y 0.87563 -0.48299 -0.00005 Z 0.48299 0.87563 0.00005 This molecule is an asymmetric top. Rotational symmetry number 1. Rotational temperatures (Kelvin) 14.09605 14.09428 9.13197 Rotational constants (GHZ): 293.71428 293.67749 190.27956 Zero-point vibrational energy 90413.4 (Joules/Mol) 21.60933 (Kcal/Mol) Vibrational temperatures: 1567.95 2437.52 2437.74 4978.51 5163.17 (Kelvin) 5163.55 Zero-point correction= 0.034437 (Hartree/Particle) Thermal correction to Energy= 0.037300 Thermal correction to Enthalpy= 0.038244 Thermal correction to Gibbs Free Energy= 0.015360 Sum of electronic and zero-point Energies= -56.523332 Sum of electronic and thermal Energies= -56.520469 Sum of electronic and thermal Enthalpies= -56.519525 Sum of electronic and thermal Free Energies= -56.542408 E (Thermal) CV S KCal/Mol Cal/Mol-Kelvin Cal/Mol-Kelvin Total 23.406 6.325 48.162 Electronic 0.000 0.000 0.000 Translational 0.889 2.981 34.441 Rotational 0.889 2.981 13.646 Vibrational 21.628 0.364 0.075 Q Log10(Q) Ln(Q) Total Bot 0.860594D-07 -7.065201 -16.268228 Total V=0 0.595017D+09 8.774529 20.204100 Vib (Bot) 0.145472D-15 -15.837221 -36.466550 Vib (V=0) 0.100579D+01 0.002509 0.005777 Electronic 0.100000D+01 0.000000 0.000000 Translational 0.276150D+07 6.441145 14.831285 Rotational 0.214227D+03 2.330875 5.367038 ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 7 0.000055051 0.000015936 -0.000029636 2 1 -0.000008734 0.000060170 0.000012696 3 1 -0.000015904 -0.000040492 -0.000045506 4 1 -0.000030412 -0.000035615 0.000062446 ------------------------------------------------------------------- Cartesian Forces: Max 0.000062446 RMS 0.000038812 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 0.22807 Y1 -0.00001 0.63129 Z1 0.00003 0.00007 0.63123 X2 -0.07602 0.17849 0.00001 0.07580 Y2 0.11885 -0.36044 -0.00003 -0.14153 0.39638 Z2 0.00000 -0.00003 -0.06042 -0.00001 0.00002 X3 -0.07603 -0.08926 -0.15455 0.00011 0.01134 Y3 -0.05943 -0.13544 -0.12994 -0.01848 -0.01797 Z3 -0.10292 -0.12993 -0.28541 -0.00242 0.00278 X4 -0.07602 -0.08923 0.15451 0.00011 0.01134 Y4 -0.05941 -0.13541 0.12990 -0.01848 -0.01798 Z4 0.10289 0.12988 -0.28539 0.00243 -0.00278 Z2 X3 Y3 Z3 X4 Z2 0.05987 X3 0.01479 0.07582 Y3 -0.03437 0.07077 0.14401 Z3 0.00028 0.12255 0.14573 0.31223 X4 -0.01478 0.00010 0.00714 -0.01721 0.07581 Y4 0.03437 0.00714 0.00939 -0.01858 0.07075 Z4 0.00028 0.01721 0.01858 -0.02709 -0.12252 Y4 Z4 Y4 0.14399 Z4 -0.14569 0.31221 ITU= 0 Eigenvalues --- 0.09788 0.13745 0.13747 0.55395 0.86324 Eigenvalues --- 0.86342 Angle between quadratic step and forces= 35.88 degrees. Linear search not attempted -- first point. TrRot= 0.000005 0.000009 -0.000015 -0.000002 -0.000007 -0.000002 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) X1 -0.77239 0.00006 0.00000 0.00000 0.00000 -0.77239 Y1 -1.20823 0.00002 0.00000 0.00003 0.00004 -1.20819 Z1 0.00007 -0.00003 0.00000 -0.00004 -0.00006 0.00001 X2 -0.02137 -0.00001 0.00000 0.00002 0.00001 -0.02136 Y2 -2.97938 0.00006 0.00000 0.00017 0.00018 -2.97920 Z2 -0.00008 0.00001 0.00000 0.00010 0.00008 0.00000 X3 -0.02133 -0.00002 0.00000 0.00002 0.00001 -0.02132 Y3 -0.32253 -0.00004 0.00000 -0.00017 -0.00016 -0.32269 Z3 1.53385 -0.00005 0.00000 -0.00010 -0.00011 1.53373 X4 -0.02134 -0.00003 0.00000 -0.00003 -0.00002 -0.02136 Y4 -0.32263 -0.00004 0.00000 -0.00007 -0.00006 -0.32269 Z4 -1.53383 0.00006 0.00000 0.00011 0.00009 -1.53374 Item Value Threshold Converged? Maximum Force 0.000062 0.000450 YES RMS Force 0.000039 0.000300 YES Maximum Displacement 0.000182 0.001800 YES RMS Displacement 0.000090 0.001200 YES Predicted change in Energy=-1.709533D-08 Optimization completed. -- Stationary point found. GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad 1|1|UNPC-CHWS-264|Freq|RB3LYP|6-31G(d,p)|H3N1|CMA209|21-Jan-2013|0||# freq b3lyp/6-31g(d,p) nosymm geom=connectivity||NH3 Optimisation||0,1| N,-0.408731,-0.639369,0.000037|H,-0.011308,-1.576619,-0.000044|H,-0.01 1289,-0.170673,0.811676|H,-0.011294,-0.170729,-0.811668||Version=EM64W -G09RevC.01|HF=-56.5577685|RMSD=3.787e-010|RMSF=3.881e-005|ZeroPoint=0 .0344367|Thermal=0.0372995|Dipole=0.7264026,0.0000176,-0.0000408|Dipol eDeriv=-0.5554502,0.000017,-0.000017,-0.000002,-0.3087708,-0.0000121,- 0.0000035,-0.0000121,-0.3087503,0.1851493,0.186114,-0.000004,0.0937733 ,0.0445586,0.0000045,0.0000042,-0.0000149,0.1613053,0.1851545,-0.09305 72,-0.1611896,-0.0468883,0.132115,-0.0505635,-0.0812112,-0.050544,0.07 37476,0.1851464,-0.0930738,0.1612106,-0.046883,0.1320971,0.0505711,0.0 812106,0.050571,0.0736975|Polar=6.0675286,0.0002989,9.8284918,-0.00030 2,0.0001909,9.8283507|PG=C01 [X(H3N1)]|NImag=0||0.22807128,-0.00000950 ,0.63128828,0.00002555,0.00007084,0.63122974,-0.07601562,0.17849480,0. 00000585,0.07580008,0.11884535,-0.36043987,-0.00002617,-0.14153168,0.3 9638076,0.00000449,-0.00002684,-0.06042244,-0.00000840,0.00002066,0.05 986963,-0.07603162,-0.08925512,-0.15454605,0.00010598,0.01134297,0.014 78754,0.07582302,-0.05942920,-0.13543975,-0.12994138,-0.01848389,-0.01 796576,-0.03436553,0.07077208,0.14401127,-0.10291938,-0.12992749,-0.28 541399,-0.00242358,0.00278211,0.00027758,0.12255132,0.14572629,0.31222 629,-0.07602403,-0.08923018,0.15451466,0.00010955,0.01134336,-0.014783 64,0.00010262,0.00714102,-0.01720835,0.07581185,-0.05940665,-0.1354086 6,0.12989672,-0.01847923,-0.01797514,0.03437172,0.00714007,0.00939423, -0.01858091,0.07074581,0.14398957,0.10288935,0.12988349,-0.28539331,0. 00242614,-0.00277659,0.00027524,0.01720719,0.01858063,-0.02708988,-0.1 2252267,-0.14568753,0.31220795||-0.00005505,-0.00001594,0.00002964,0.0 0000873,-0.00006017,-0.00001270,0.00001590,0.00004049,0.00004551,0.000 03041,0.00003561,-0.00006245|||@ HOW IS IT THAT THE SKY FEEDS THE STARS? -- LUCRETIUS 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 Mon Jan 21 17:51:03 2013.