Entering Gaussian System, Link 0=/usr/software/gaussian16/g16.revA03_sse4_2/g16/g16 Initial command: /usr/software/gaussian16/g16.revA03_sse4_2/g16/l1.exe "/scr/dsmall/1274070/GAUSS_SCRDIR/Gau-52369.inp" -scrdir="/scr/dsmall/1274070/GAUSS_SCRDIR/" Entering Link 1 = /usr/software/gaussian16/g16.revA03_sse4_2/g16/l1.exe PID= 52370. Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016, Gaussian, Inc. All Rights Reserved. This is part of the Gaussian(R) 16 program. It is based on the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.), 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 16, Revision A.03, M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016. ****************************************** Gaussian 16: ES64L-G16RevA.03 25-Dec-2016 27-Aug-2024 ****************************************** %nproc=1 Will use up to 1 processors via shared memory. %mem=8GB %oldchk=/home/dsmall/orca_test/gau_orca/example1/ts.chk %chk=freq.chk Copying data from "/home/dsmall/orca_test/gau_orca/example1/ts.chk" to current chk file "freq.chk" IOpt= 2 FromEx=T IUOpen= 4 IOptOp= 5 NList= 0 IFRang= 0 IUIn= 4 IUOut= 2. ---------------------------------------------- #p freq geom=check external='gau_orca.sh' ugbs ---------------------------------------------- 1/10=4,18=10,29=2,30=1,38=1/1,3; 2/12=2,40=1/2; 3/5=23,11=9,14=-4,25=1,30=1,41=9900000,43=2,71=2,140=1/1; 4/20=17,22=2,24=3,113=1,114=1/2; 6/7=2,8=2,9=2,10=2/1; 7/8=1,25=1,44=-1/16; 1/10=4,18=10,30=1/3; 99//99; Leave Link 1 at Tue Aug 27 16:41:24 2024, MaxMem= 1073741824 cpu: 0.0 elap: 0.1 (Enter /usr/software/gaussian16/g16.revA03_sse4_2/g16/l101.exe) ------------------- Title Card Required ------------------- Structure from the checkpoint file: "freq.chk" Charge = 0 Multiplicity = 1 Redundant internal coordinates found in file. (old form). H,0,0.7088660769,0.7089552117,0. H,0,-0.811522579,1.5867520101,0. H,0,-0.8115225779,-0.1688415888,0. N,0,-0.30472636,0.708955211,0. Recover connectivity data from disk. ITRead= 0 0 0 0 MicOpt= -1 -1 -1 -1 NAtoms= 4 NQM= 4 NQMF= 0 NMMI= 0 NMMIF= 0 NMic= 0 NMicF= 0. Isotopes and Nuclear Properties: (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM) in nuclear magnetons) Atom 1 2 3 4 IAtWgt= 1 1 1 14 AtmWgt= 1.0078250 1.0078250 1.0078250 14.0030740 NucSpn= 1 1 1 2 AtZEff= 1.0000000 1.0000000 1.0000000 4.5500000 NQMom= 0.0000000 0.0000000 0.0000000 2.0440000 NMagM= 2.7928460 2.7928460 2.7928460 0.4037610 AtZNuc= 1.0000000 1.0000000 1.0000000 7.0000000 Leave Link 101 at Tue Aug 27 16:41:24 2024, MaxMem= 1073741824 cpu: 0.3 elap: 0.4 (Enter /usr/software/gaussian16/g16.revA03_sse4_2/g16/l103.exe) GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Initialization pass. Trust Radius=3.00D-01 FncErr=1.00D-07 GrdErr=1.00D-07 EigMax=2.50D+02 EigMin=1.00D-04 Number of steps in this run= 2 maximum allowed number of steps= 2. GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Leave Link 103 at Tue Aug 27 16:41:24 2024, MaxMem= 1073741824 cpu: 0.1 elap: 0.0 (Enter /usr/software/gaussian16/g16.revA03_sse4_2/g16/l202.exe) Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 1 0 0.708866 0.708955 -0.000000 2 1 0 -0.811523 1.586752 -0.000000 3 1 0 -0.811523 -0.168842 0.000000 4 7 0 -0.304726 0.708955 -0.000000 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 1 H 0.000000 2 H 1.755594 0.000000 3 H 1.755594 1.755594 0.000000 4 N 1.013592 1.013592 1.013592 0.000000 Stoichiometry H3N Framework group D3H[O(N),3C2(H)] Deg. of freedom 1 Full point group D3H NOp 12 RotChk: IX=0 Diff= 2.83D-16 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 1 0 0.000000 1.013592 0.000000 2 1 0 0.877797 -0.506796 0.000000 3 1 0 -0.877797 -0.506796 0.000000 4 7 0 0.000000 0.000000 0.000000 --------------------------------------------------------------------- Rotational constants (GHZ): 325.3973972 325.3973972 162.6986986 Leave Link 202 at Tue Aug 27 16:41:24 2024, MaxMem= 1073741824 cpu: 0.0 elap: 0.0 (Enter /usr/software/gaussian16/g16.revA03_sse4_2/g16/l301.exe) Standard basis: UGBS (5D, 7F) Ernie: Thresh= 0.10000D-02 Tol= 0.10000D-05 Strict=F. There are 79 symmetry adapted cartesian basis functions of A1 symmetry. There are 0 symmetry adapted cartesian basis functions of A2 symmetry. There are 36 symmetry adapted cartesian basis functions of B1 symmetry. There are 16 symmetry adapted cartesian basis functions of B2 symmetry. There are 79 symmetry adapted basis functions of A1 symmetry. There are 0 symmetry adapted basis functions of A2 symmetry. There are 36 symmetry adapted basis functions of B1 symmetry. There are 16 symmetry adapted basis functions of B2 symmetry. 131 basis functions, 131 primitive gaussians, 131 cartesian basis functions 5 alpha electrons 5 beta electrons nuclear repulsion energy 11.8679686303 Hartrees. IExCor= 0 DFT=F Ex=HF Corr=None ExCW=0 ScaHFX= 1.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi= 4 NAtoms= 4 NActive= 4 NUniq= 2 SFac= 4.00D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. Leave Link 301 at Tue Aug 27 16:41:25 2024, MaxMem= 1073741824 cpu: 0.1 elap: 0.1 (Enter /usr/software/gaussian16/g16.revA03_sse4_2/g16/l402.exe) External calculation of energy, first and second derivatives. Running external command "gau_orca.sh R" input file "/scr/dsmall/1274070/GAUSS_SCRDIR/Gau-52370.EIn" output file "/scr/dsmall/1274070/GAUSS_SCRDIR/Gau-52370.EOu" message file "/scr/dsmall/1274070/GAUSS_SCRDIR/Gau-52370.EMs" fchk file "/scr/dsmall/1274070/GAUSS_SCRDIR/Gau-52370.EFC" mat. el file "/scr/dsmall/1274070/GAUSS_SCRDIR/Gau-52370.EUF" Generating mol.tmp Generating mol.xyz via genxyz Running: orca calc_freq.inp > calc_freq.out orca running finished! Extracting data from xtb-converted outputs via extderi Recovered energy= -56.4912660415 dipole= 0.000000000000 0.000000000000 0.000000000000 Energy= -56.4912660 NIter= 0. Dipole moment= 0.000000 0.000000 0.000000 Leave Link 402 at Tue Aug 27 16:41:34 2024, MaxMem= 1073741824 cpu: 0.1 elap: 8.9 (Enter /usr/software/gaussian16/g16.revA03_sse4_2/g16/l601.exe) Leave Link 601 at Tue Aug 27 16:41:34 2024, MaxMem= 1073741824 cpu: 0.1 elap: 0.1 (Enter /usr/software/gaussian16/g16.revA03_sse4_2/g16/l716.exe) Dipole = 0.00000000D+00 0.00000000D+00 0.00000000D+00 Full mass-weighted force constant matrix: Low frequencies --- -902.0220 -60.3574 -12.7133 10.9224 18.1376 53.3863 Low frequencies --- 59.8918 1526.6355 1527.3909 ****** 1 imaginary frequencies (negative Signs) ****** Diagonal vibrational polarizability: 0.0000000 0.0000000 0.0000000 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 -- -902.0011 1526.6348 1527.3909 Red. masses -- 1.2067 1.0918 1.0917 Frc consts -- 0.5784 1.4992 1.5006 IR Inten -- 0.0000 0.0000 0.0000 Atom AN X Y Z X Y Z X Y Z 1 1 -0.00 -0.00 0.57 0.81 -0.00 0.00 -0.00 -0.07 0.00 2 1 -0.00 -0.00 0.57 0.15 0.38 0.00 0.38 0.59 0.00 3 1 -0.00 0.00 0.57 0.15 -0.38 0.00 -0.38 0.59 0.00 4 7 0.00 0.00 -0.12 -0.08 -0.00 -0.00 0.00 -0.08 -0.00 4 5 6 A1' E' E' Frequencies -- 3499.7502 3687.0493 3687.2063 Red. masses -- 1.0078 1.1050 1.1050 Frc consts -- 7.2729 8.8502 8.8515 IR Inten -- 0.0000 0.0000 0.0000 Atom AN X Y Z X Y Z X Y Z 1 1 -0.00 0.58 -0.00 -0.01 0.00 0.00 0.00 0.81 0.00 2 1 0.50 -0.29 -0.00 0.61 -0.36 0.00 -0.36 0.19 0.00 3 1 -0.50 -0.29 -0.00 0.61 0.36 0.00 0.36 0.19 0.00 4 7 0.00 0.00 0.00 -0.09 -0.00 -0.00 0.00 -0.09 -0.00 ------------------- - Thermochemistry - ------------------- Temperature 298.150 Kelvin. Pressure 1.00000 Atm. Atom 1 has atomic number 1 and mass 1.00783 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 7 and mass 14.00307 Molecular mass: 17.02655 amu. Principal axes and moments of inertia in atomic units: 1 2 3 Eigenvalues -- 5.54627 5.54627 11.09254 X -0.58471 0.81124 0.00000 Y 0.81124 0.58471 0.00000 Z -0.00000 -0.00000 1.00000 This molecule is an oblate symmetric top. Rotational symmetry number 6. Rotational temperatures (Kelvin) 15.61661 15.61661 7.80831 Rotational constants (GHZ): 325.39740 325.39740 162.69870 1 imaginary frequencies ignored. Zero-point vibrational energy 83308.1 (Joules/Mol) 19.91112 (Kcal/Mol) Vibrational temperatures: 2196.49 2197.57 5035.36 5304.84 5305.07 (Kelvin) Zero-point correction= 0.031730 (Hartree/Particle) Thermal correction to Energy= 0.034572 Thermal correction to Enthalpy= 0.035516 Thermal correction to Gibbs Free Energy= 0.014373 Sum of electronic and zero-point Energies= -56.459536 Sum of electronic and thermal Energies= -56.456694 Sum of electronic and thermal Enthalpies= -56.455750 Sum of electronic and thermal Free Energies= -56.476893 E (Thermal) CV S KCal/Mol Cal/Mol-Kelvin Cal/Mol-Kelvin Total 21.694 6.098 44.499 Electronic 0.000 0.000 0.000 Translational 0.889 2.981 34.441 Rotational 0.889 2.981 10.038 Vibrational 19.917 0.136 0.021 Q Log10(Q) Ln(Q) Total Bot 0.244878D-06 -6.611051 -15.222508 Total V=0 0.963612D+08 7.983902 18.383615 Vib (Bot) 0.254445D-14 -14.594406 -33.604861 Vib (V=0) 0.100126D+01 0.000548 0.001262 Electronic 0.100000D+01 0.000000 0.000000 Translational 0.276149D+07 6.441144 14.831282 Rotational 0.348506D+02 1.542211 3.551071 ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 1 -0.000181521 0.000000000 -0.000000000 2 1 0.000090015 -0.000146878 0.000000000 3 1 0.000090015 0.000146878 -0.000000000 4 7 0.000001490 0.000000000 0.000000000 ------------------------------------------------------------------- Cartesian Forces: Max 0.000181521 RMS 0.000087704 Force constants in Cartesian coordinates: 1 2 3 4 5 1 0.468995D+00 2 0.000000D+00 0.540188D-01 3 0.000000D+00 0.000000D+00 -0.878068D-02 4 -0.647822D-02 0.273823D-01 0.000000D+00 0.157943D+00 5 -0.475336D-02 0.659279D-02 0.000000D+00 -0.179634D+00 0.365116D+00 6 0.000000D+00 0.000000D+00 -0.850522D-02 0.000000D+00 0.000000D+00 7 -0.647822D-02 -0.273823D-01 0.000000D+00 0.131255D-01 0.160675D-01 8 0.475336D-02 0.659279D-02 0.000000D+00 -0.160650D-01 -0.129528D-01 9 0.000000D+00 0.000000D+00 -0.850522D-02 0.000000D+00 0.000000D+00 10 -0.456045D+00 0.000000D+00 0.000000D+00 -0.164589D+00 0.168316D+00 11 0.000000D+00 -0.671995D-01 0.000000D+00 0.168274D+00 -0.358756D+00 12 0.000000D+00 0.000000D+00 0.257867D-01 0.000000D+00 0.000000D+00 6 7 8 9 10 6 -0.837192D-02 7 0.000000D+00 0.157943D+00 8 0.000000D+00 0.179634D+00 0.365116D+00 9 -0.850873D-02 0.000000D+00 0.000000D+00 -0.837192D-02 10 0.000000D+00 -0.164589D+00 -0.168316D+00 0.000000D+00 0.785305D+00 11 0.000000D+00 -0.168274D+00 -0.358756D+00 0.000000D+00 0.000000D+00 12 0.253812D-01 0.000000D+00 0.000000D+00 0.253812D-01 0.000000D+00 11 12 11 0.784942D+00 12 0.000000D+00 -0.766392D-01 Leave Link 716 at Tue Aug 27 16:41:34 2024, MaxMem= 1073741824 cpu: 0.1 elap: 0.1 (Enter /usr/software/gaussian16/g16.revA03_sse4_2/g16/l103.exe) 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 0.46900 Y1 0.00000 0.05402 Z1 -0.00000 -0.00000 -0.00878 X2 -0.00648 0.02738 -0.00000 0.15794 Y2 -0.00475 0.00659 0.00000 -0.17963 0.36512 Z2 -0.00000 -0.00000 -0.00851 0.00000 0.00000 X3 -0.00648 -0.02738 -0.00000 0.01313 0.01607 Y3 0.00475 0.00659 -0.00000 -0.01607 -0.01295 Z3 -0.00000 -0.00000 -0.00851 0.00000 -0.00000 X4 -0.45605 -0.00000 0.00000 -0.16459 0.16832 Y4 -0.00000 -0.06720 0.00000 0.16827 -0.35876 Z4 -0.00000 0.00000 0.02579 -0.00000 0.00000 Z2 X3 Y3 Z3 X4 Z2 -0.00837 X3 0.00000 0.15794 Y3 -0.00000 0.17963 0.36512 Z3 -0.00851 -0.00000 -0.00000 -0.00837 X4 0.00000 -0.16459 -0.16832 0.00000 0.78531 Y4 0.00000 -0.16827 -0.35876 0.00000 -0.00000 Z4 0.02538 0.00000 0.00000 0.02538 -0.00000 Y4 Z4 Y4 0.78494 Z4 -0.00000 -0.07664 ITU= 0 Eigenvalues --- -0.08136 0.12053 0.12059 0.46714 1.00260 Eigenvalues --- 1.00296 Eigenvalue 1 is -8.14D-02 should be greater than 0.000000 Eigenvector: Z4 Z2 Z1 Z3 Y1 1 0.54772 -0.48305 -0.48305 -0.48305 -0.00000 X2 Y4 X4 Y2 X1 1 -0.00000 0.00000 0.00000 -0.00000 -0.00000 Angle between quadratic step and forces= 4.41 degrees. ClnCor: largest displacement from symmetrization is 5.58D-05 for atom 3. Linear search not attempted -- first point. ClnCor: largest displacement from symmetrization is 4.97D-16 for atom 2. B after Tr= 0.000000 0.000000 0.000000 Rot= 1.000000 0.000000 -0.000000 -0.000000 Ang= 0.00 deg. Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) X1 1.33956 -0.00018 0.00000 -0.00040 -0.00040 1.33916 Y1 1.33973 0.00000 0.00000 -0.00000 -0.00000 1.33973 Z1 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 X2 -1.53356 0.00009 0.00000 0.00020 0.00020 -1.53336 Y2 2.99853 -0.00015 0.00000 -0.00035 -0.00035 2.99818 Z2 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 X3 -1.53356 0.00009 0.00000 0.00020 0.00020 -1.53336 Y3 -0.31906 0.00015 0.00000 0.00035 0.00035 -0.31872 Z3 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 X4 -0.57585 0.00000 0.00000 -0.00000 0.00000 -0.57585 Y4 1.33973 0.00000 0.00000 0.00000 0.00000 1.33973 Z4 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 Item Value Threshold Converged? Maximum Force 0.000182 0.000450 YES RMS Force 0.000088 0.000300 YES Maximum Displacement 0.000400 0.001800 YES RMS Displacement 0.000200 0.001200 YES Predicted change in Energy=-9.826154D-08 Optimization completed. -- Stationary point found. GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Leave Link 103 at Tue Aug 27 16:41:34 2024, MaxMem= 1073741824 cpu: 0.0 elap: 0.0 (Enter /usr/software/gaussian16/g16.revA03_sse4_2/g16/l9999.exe) 1\1\GINC-COMPUTE-0-32\Freq\RExternal='gau_orca.sh'\ZDO\H3N1\DSMALL\27- Aug-2024\0\\#p freq geom=check external='gau_orca.sh' ugbs\\Title Card Required\\0,1\H,0.7088660769,0.7089552117,0.\H,-0.811522579,1.5867520 101,0.\H,-0.8115225779,-0.1688415888,0.\N,-0.30472636,0.708955211,0.\\ Version=ES64L-G16RevA.03\HF=-56.491266\RMSD=0.000e+00\RMSF=8.770e-05\Z eroPoint=0.0317304\Thermal=0.0345717\Dipole=0.,0.,0.\PG=D03H [O(N1),3C 2(H1)]\NImag=1\\0.46899526,0.,0.05401881,0.,0.,-0.00878068,-0.00647822 ,0.02738226,0.,0.15794263,-0.00475336,0.00659279,0.,-0.17963444,0.3651 1639,0.,0.,-0.00850522,0.,0.,-0.00837192,-0.00647822,-0.02738226,0.,0. 01312554,0.01606753,0.,0.15794263,0.00475336,0.00659279,0.,-0.01606504 ,-0.01295280,0.,0.17963444,0.36511639,0.,0.,-0.00850522,0.,0.,-0.00850 873,0.,0.,-0.00837192,-0.45604530,0.,0.,-0.16458913,0.16831641,0.,-0.1 6458913,-0.16831641,0.,0.78530532,0.,-0.06719952,0.,0.16827353,-0.3587 5597,0.,-0.16827353,-0.35875597,0.,0.,0.78494154,0.,0.,0.02578665,0.,0 .,0.02538116,0.,0.,0.02538116,0.,0.,-0.07663922\\0.00018152,0.,0.,-0.0 0009002,0.00014688,0.,-0.00009002,-0.00014688,0.,-0.00000149,0.,0.\\\@ THE ONLY EXISTING THINGS ARE ATOMS AND EMPTY SPACE; ALL ELSE IS MERE OPINION. -- DEMOCRITUS OF ABDERA D. 370 B.C. EXPERIMENTS ARE THE ONLY MEANS OF KNOWLEDGE AT OUR DISPOSAL THE REST IS POETRY, IMAGINATION. -- MAX PLANCK Job cpu time: 0 days 0 hours 0 minutes 1.0 seconds. Elapsed time: 0 days 0 hours 0 minutes 9.8 seconds. File lengths (MBytes): RWF= 6 Int= 0 D2E= 0 Chk= 1 Scr= 1 Normal termination of Gaussian 16 at Tue Aug 27 16:41:34 2024.