Default is to use a total of 4 processors: 4 via shared-memory 1 via Linda Entering Link 1 = C:\G09W\l1.exe PID= 6136. 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 14-Nov-2013 ****************************************** %chk=G:\3rdyearlab\#1\qwt_bh3_opt_6321g_dp.chk Default route: MaxDisk=10GB --------------------------------------------------------------------- # freq b3lyp/6-31g(d,p) geom=connectivity int=ultrafine scf(conver=9) --------------------------------------------------------------------- 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=-5,75=-5,140=1/1,2,3; 4//1; 5/5=2,6=9,38=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; ----------------------- BH3 frequency ultrafine ----------------------- Symbolic Z-matrix: Charge = 0 Multiplicity = 1 B 0. 0.00003 0. H 0.57086 -1.04725 0. H -1.19208 0.02901 0. H 0.62122 1.01811 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 5 0 0.000000 0.000028 0.000000 2 1 0 0.570859 -1.047253 0.000000 3 1 0 -1.192082 0.029005 0.000000 4 1 0 0.621223 1.018106 0.000000 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 1 B 0.000000 2 H 1.192760 0.000000 3 H 1.192434 2.065500 0.000000 4 H 1.192644 2.065973 2.065526 0.000000 Stoichiometry BH3 Framework group CS[SG(BH3)] Deg. of freedom 5 Full point group CS NOp 2 Largest Abelian subgroup CS NOp 2 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 5 0 0.000000 0.000028 0.000000 2 1 0 -0.570859 -1.047253 0.000000 3 1 0 1.192082 0.029005 0.000000 4 1 0 -0.621223 1.018106 0.000000 --------------------------------------------------------------------- Rotational constants (GHZ): 235.1098390 234.9701154 117.5199782 Standard basis: 6-31G(d,p) (6D, 7F) There are 23 symmetry adapted cartesian basis functions of A' symmetry. There are 7 symmetry adapted cartesian basis functions of A" symmetry. There are 23 symmetry adapted basis functions of A' symmetry. There are 7 symmetry adapted basis functions of A" symmetry. 30 basis functions, 49 primitive gaussians, 30 cartesian basis functions 4 alpha electrons 4 beta electrons nuclear repulsion energy 7.4242188579 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 on. One-electron integrals computed using PRISM. NBasis= 30 RedAO= T EigKep= 3.60D-02 NBF= 23 7 NBsUse= 30 1.00D-06 EigRej= -1.00D+00 NBFU= 23 7 ExpMin= 1.27D-01 ExpMax= 2.07D+03 ExpMxC= 3.11D+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 Petite list used in FoFCou. Initial guess orbital symmetries: Occupied (A') (A') (A') (A') Virtual (A") (A') (A') (A') (A') (A') (A") (A') (A') (A') (A') (A") (A") (A') (A') (A') (A') (A") (A") (A") (A') (A') (A') (A') (A') (A') The electronic state of the initial guess is 1-A'. Keep R1 ints in memory in symmetry-blocked form, NReq=993763. Requested convergence on RMS density matrix=1.00D-09 within 128 cycles. Requested convergence on MAX density matrix=1.00D-07. Requested convergence on energy=1.00D-07. 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) = -26.6153234908 A.U. after 9 cycles NFock= 9 Conv=0.19D-09 -V/T= 2.0113 DoSCS=F DFT=T ScalE2(SS,OS)= 1.000000 1.000000 Range of M.O.s used for correlation: 1 30 NBasis= 30 NAE= 4 NBE= 4 NFC= 0 NFV= 0 NROrb= 30 NOA= 4 NOB= 4 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=970426. There are 15 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 12 vectors produced by pass 0 Test12= 6.93D-16 6.67D-09 XBig12= 8.59D+00 2.15D+00. AX will form 12 AO Fock derivatives at one time. 12 vectors produced by pass 1 Test12= 6.93D-16 6.67D-09 XBig12= 3.59D-02 1.06D-01. 12 vectors produced by pass 2 Test12= 6.93D-16 6.67D-09 XBig12= 1.91D-05 1.65D-03. 11 vectors produced by pass 3 Test12= 6.93D-16 6.67D-09 XBig12= 9.48D-09 3.14D-05. 10 vectors produced by pass 4 Test12= 6.93D-16 6.67D-09 XBig12= 1.25D-12 5.70D-07. 3 vectors produced by pass 5 Test12= 6.93D-16 6.67D-09 XBig12= 3.44D-16 8.90D-09. InvSVY: IOpt=1 It= 1 EMax= 1.11D-15 Solved reduced A of dimension 60 with 12 vectors. Isotropic polarizability for W= 0.000000 13.31 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 (A') (A') (A') (A') Virtual (A") (A') (A') (A') (A') (A') (A") (A') (A') (A') (A') (A") (A") (A') (A') (A') (A') (A") (A") (A") (A') (A') (A') (A') (A') (A') The electronic state is 1-A'. Alpha occ. eigenvalues -- -6.77149 -0.51249 -0.35078 -0.35075 Alpha virt. eigenvalues -- -0.06607 0.16826 0.17920 0.17924 0.38117 Alpha virt. eigenvalues -- 0.38120 0.44411 0.47392 0.90313 0.90319 Alpha virt. eigenvalues -- 0.91281 1.17084 1.17087 1.57579 1.62013 Alpha virt. eigenvalues -- 1.62051 2.00619 2.21177 2.39199 2.39212 Alpha virt. eigenvalues -- 2.55149 2.55180 3.00120 3.24404 3.24442 Alpha virt. eigenvalues -- 3.46292 Condensed to atoms (all electrons): 1 2 3 4 1 B 3.673109 0.410749 0.410781 0.410763 2 H 0.410749 0.671625 -0.025423 -0.025396 3 H 0.410781 -0.025423 0.671570 -0.025418 4 H 0.410763 -0.025396 -0.025418 0.671585 Mulliken charges: 1 1 B 0.094598 2 H -0.031555 3 H -0.031510 4 H -0.031534 Sum of Mulliken charges = 0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 B 0.000000 APT charges: 1 1 B 0.513784 2 H -0.171277 3 H -0.171254 4 H -0.171254 Sum of APT charges = 0.00000 APT charges with hydrogens summed into heavy atoms: 1 1 B 0.000000 Electronic spatial extent (au): = 33.8353 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= 0.0002 Y= 0.0002 Z= 0.0000 Tot= 0.0003 Quadrupole moment (field-independent basis, Debye-Ang): XX= -9.0182 YY= -9.0179 ZZ= -6.9785 XY= -0.0002 XZ= 0.0000 YZ= 0.0000 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= -0.6800 YY= -0.6797 ZZ= 1.3597 XY= -0.0002 XZ= 0.0000 YZ= 0.0000 Octapole moment (field-independent basis, Debye-Ang**2): XXX= 0.1145 YYY= -0.0079 ZZZ= 0.0000 XYY= -0.1131 XXY= 0.0085 XXZ= 0.0000 XZZ= 0.0004 YZZ= 0.0002 YYZ= 0.0000 XYZ= 0.0000 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -22.5398 YYYY= -22.5469 ZZZZ= -6.6242 XXXY= -0.0003 XXXZ= 0.0000 YYYX= -0.0001 YYYZ= 0.0000 ZZZX= 0.0000 ZZZY= 0.0000 XXYY= -7.5145 XXZZ= -5.0918 YYZZ= -5.0933 XXYZ= 0.0000 YYXZ= 0.0000 ZZXY= 0.0000 N-N= 7.424218857877D+00 E-N=-7.542047762038D+01 KE= 2.631705475138D+01 Symmetry A' KE= 2.631705475138D+01 Symmetry A" KE= 0.000000000000D+00 Exact polarizability: 15.874 0.000 15.879 0.000 0.000 8.186 Approx polarizability: 18.736 0.000 18.743 0.000 0.000 10.595 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 --- -0.0008 -0.0004 0.0009 28.8837 40.2093 44.9269 Low frequencies --- 1163.4954 1213.3988 1213.6046 Diagonal vibrational polarizability: 0.7186627 0.7197635 1.8390789 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 -- 1163.4952 1213.3987 1213.6045 Red. masses -- 1.2531 1.1072 1.1071 Frc consts -- 0.9995 0.9604 0.9607 IR Inten -- 92.5117 14.0900 14.0701 Atom AN X Y Z X Y Z X Y Z 1 5 0.00 0.00 0.16 0.04 0.09 0.00 0.09 -0.04 0.00 2 1 0.00 0.00 -0.57 0.07 0.05 0.00 -0.71 0.39 0.00 3 1 0.00 0.00 -0.57 0.06 -0.72 0.00 0.06 0.37 0.00 4 1 0.00 0.00 -0.57 -0.60 -0.32 0.00 -0.34 -0.29 0.00 4 5 6 A' A' A' Frequencies -- 2580.7197 2713.0494 2714.3206 Red. masses -- 1.0078 1.1273 1.1273 Frc consts -- 3.9547 4.8890 4.8936 IR Inten -- 0.0056 126.4204 126.3672 Atom AN X Y Z X Y Z X Y Z 1 5 0.00 0.00 0.00 0.02 0.11 0.00 0.11 -0.02 0.00 2 1 -0.28 -0.51 0.00 -0.37 -0.67 0.00 -0.11 -0.23 0.00 3 1 0.57 0.01 0.00 -0.17 0.01 0.00 -0.80 -0.02 0.00 4 1 -0.30 0.49 0.00 0.33 -0.51 0.00 -0.27 0.46 0.00 ------------------- - Thermochemistry - ------------------- Temperature 298.150 Kelvin. Pressure 1.00000 Atm. Atom 1 has atomic number 5 and mass 11.00931 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: 14.03278 amu. Principal axes and moments of inertia in atomic units: 1 2 3 Eigenvalues -- 7.67616 7.68073 15.35689 X -0.04793 0.99885 0.00000 Y 0.99885 0.04793 0.00000 Z 0.00000 0.00000 1.00000 This molecule is an asymmetric top. Rotational symmetry number 1. Rotational temperatures (Kelvin) 11.28348 11.27677 5.64006 Rotational constants (GHZ): 235.10984 234.97012 117.51998 Zero-point vibrational energy 69375.0 (Joules/Mol) 16.58101 (Kcal/Mol) Vibrational temperatures: 1674.01 1745.81 1746.10 3713.08 3903.47 (Kelvin) 3905.30 Zero-point correction= 0.026424 (Hartree/Particle) Thermal correction to Energy= 0.029307 Thermal correction to Enthalpy= 0.030252 Thermal correction to Gibbs Free Energy= 0.007180 Sum of electronic and zero-point Energies= -26.588900 Sum of electronic and thermal Energies= -26.586016 Sum of electronic and thermal Enthalpies= -26.585072 Sum of electronic and thermal Free Energies= -26.608144 E (Thermal) CV S KCal/Mol Cal/Mol-Kelvin Cal/Mol-Kelvin Total 18.391 6.587 48.559 Electronic 0.000 0.000 0.000 Translational 0.889 2.981 33.864 Rotational 0.889 2.981 14.568 Vibrational 16.613 0.625 0.126 Q Log10(Q) Ln(Q) Total Bot 0.498388D-03 -3.302432 -7.604131 Total V=0 0.710430D+09 8.851521 20.381381 Vib (Bot) 0.708151D-12 -12.149874 -27.976119 Vib (V=0) 0.100944D+01 0.004079 0.009393 Electronic 0.100000D+01 0.000000 0.000000 Translational 0.206619D+07 6.315171 14.541218 Rotational 0.340621D+03 2.532271 5.830770 ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 5 0.000099741 -0.000057229 0.000000000 2 1 -0.000080956 0.000191517 0.000000000 3 1 0.000050174 0.000005375 0.000000000 4 1 -0.000068959 -0.000139663 0.000000000 ------------------------------------------------------------------- Cartesian Forces: Max 0.000191517 RMS 0.000083298 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 0.41881 Y1 0.00009 0.41849 Z1 0.00000 0.00000 0.12152 X2 -0.08579 0.08325 0.00000 0.08314 Y2 0.08327 -0.19314 0.00000 -0.09106 0.20053 Z2 0.00000 0.00000 -0.04053 0.00000 0.00000 X3 -0.23882 0.00482 0.00000 -0.00542 -0.00102 Y3 0.00482 -0.04047 0.00000 0.01752 0.00305 Z3 0.00000 0.00000 -0.04047 0.00000 0.00000 X4 -0.09419 -0.08817 0.00000 0.00807 0.00882 Y4 -0.08818 -0.18488 0.00000 -0.00972 -0.01043 Z4 0.00000 0.00000 -0.04051 0.00000 0.00000 Z2 X3 Y3 Z3 X4 Z2 0.01357 X3 0.00000 0.25044 Y3 0.00000 -0.00528 0.03358 Z3 0.01349 0.00000 0.00000 0.01350 X4 0.00000 -0.00620 -0.01707 0.00000 0.09232 Y4 0.00000 0.00148 0.00384 0.00000 0.09642 Z4 0.01348 0.00000 0.00000 0.01349 0.00000 Y4 Z4 Y4 0.19148 Z4 0.00000 0.01355 ITU= 0 Eigenvalues --- 0.07546 0.07549 0.13882 0.25402 0.56166 Eigenvalues --- 0.56218 Angle between quadratic step and forces= 27.39 degrees. ClnCor: largest displacement from symmetrization is 3.25D-19 for atom 1. Linear search not attempted -- first point. ClnCor: largest displacement from symmetrization is 4.93D-32 for atom 3. TrRot= 0.000000 -0.000025 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 0.00010 0.00000 0.00000 0.00000 0.00000 Y1 0.00005 -0.00006 0.00000 -0.00008 -0.00011 -0.00005 Z1 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 X2 1.07877 -0.00008 0.00000 -0.00007 -0.00007 1.07870 Y2 -1.97902 0.00019 0.00000 0.00081 0.00079 -1.97823 Z2 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 X3 -2.25271 0.00005 0.00000 0.00021 0.00021 -2.25250 Y3 0.05481 0.00001 0.00000 0.00007 0.00005 0.05486 Z3 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 X4 1.17394 -0.00007 0.00000 -0.00014 -0.00013 1.17381 Y4 1.92394 -0.00014 0.00000 -0.00070 -0.00073 1.92321 Z4 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 Item Value Threshold Converged? Maximum Force 0.000192 0.000450 YES RMS Force 0.000083 0.000300 YES Maximum Displacement 0.000788 0.001800 YES RMS Displacement 0.000320 0.001200 YES Predicted change in Energy=-1.421872D-07 Optimization completed. -- Stationary point found. GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad 1|1| IMPERIAL COLLEGE-CHWS-272|Freq|RB3LYP|6-31G(d,p)|B1H3|QWT11|14-No v-2013|0||# freq b3lyp/6-31g(d,p) geom=connectivity int=ultrafine scf( conver=9)||BH3 frequency ultrafine||0,1|B,0.,0.000028,0.|H,0.570859,-1 .047253,0.|H,-1.192082,0.029005,0.|H,0.621223,1.018106,0.||Version=EM6 4W-G09RevD.01|State=1-A'|HF=-26.6153235|RMSD=1.936e-010|RMSF=8.330e-00 5|ZeroPoint=0.0264235|Thermal=0.0293073|Dipole=-0.0000905,0.0000739,0. |DipoleDeriv=0.5333588,-0.0000261,0.,-0.0000248,0.5335511,0.,0.,0.,0.4 744428,-0.1290266,0.0756481,0.,0.0757057,-0.2266445,0.,0.,0.,-0.158160 1,-0.2677249,0.0043914,0.,0.0043821,-0.08791,0.,0.,0.,-0.1581262,-0.13 66073,-0.0800134,0.,-0.080063,-0.2189967,0.,0.,0.,-0.1581566|Polar=15. 8737646,-0.0001677,15.8791061,0.,0.,8.1862043|PG=CS [SG(B1H3)]|NImag=0 ||0.41880529,0.00008748,0.41849022,0.,0.,0.12151874,-0.08579480,0.0832 5439,0.,0.08314146,0.08326571,-0.19314276,0.,-0.09105795,0.20052542,0. ,0.,-0.04053184,0.,0.,0.01356556,-0.23881885,0.00482451,0.,-0.00542159 ,-0.00102357,0.,0.25044102,0.00482481,-0.04047003,0.,0.01752158,0.0030 5150,0.,-0.00527824,0.03358212,0.,0.,-0.04047361,0.,0.,0.01348615,0.,0 .,0.01350189,-0.09419165,-0.08816638,0.,0.00807493,0.00881581,0.,-0.00 620059,-0.01706814,0.,0.09231731,-0.08817799,-0.18487743,0.,-0.0097180 2,-0.01043417,0.,0.00147730,0.00383640,0.,0.09641871,0.19147520,0.,0., -0.04051330,0.,0.,0.01348012,0.,0.,0.01348556,0.,0.,0.01354761||-0.000 09974,0.00005723,0.,0.00008096,-0.00019152,0.,-0.00005017,-0.00000537, 0.,0.00006896,0.00013966,0.|||@ THERE IS AN OLD, OLD RECIPE IN MAINE FOR STEWING COOT. PLACE THE BIRD IN A KETTLE OF WATER WITH A RED BUILDING BRICK FREE OF MORTAR AND BLEMISHES. PARBOIL THE COOT AND BRICK TOGETHER FOR THREE HOURS. POUR OFF THE WATER, REFILL THE KETTLE, AND AGAIN PARBOIL FOR THREE HOURS. ONCE AGAIN POUR OFF THE WATER, FOR THE LAST TIME ADD FRESH WATER, AND LET THE COOT AND BRICK SIMMER TOGETHER OVERNIGHT. IN THE MORNING, THROW AWAY THE COOT AND EAT THE BRICK. Job cpu time: 0 days 0 hours 0 minutes 7.0 seconds. File lengths (MBytes): RWF= 5 Int= 0 D2E= 0 Chk= 1 Scr= 1 Normal termination of Gaussian 09 at Thu Nov 14 15:25:06 2013.