Default is to use a total of 4 processors: 4 via shared-memory 1 via Linda Entering Link 1 = C:\G09W\l1.exe PID= 6016. 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 04-Mar-2015 ****************************************** %chk=\\icnas3.cc.ic.ac.uk\acc212\3rd Year Inorganic Gaussian\Day 3\ACC212_BH3_D3 H_Freq.chk Default route: MaxDisk=10GB ---------------------------------------------------------------------- # freq b3lyp/6-31g(d,p) geom=connectivity integral=grid=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 d3h freq ------------ Symbolic Z-matrix: Charge = 0 Multiplicity = 1 B 0. 0. 0. H 0. 1.19238 0. H 1.03263 -0.59619 0. H -1.03263 -0.59619 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 0.000000 0.000000 2 1 0 0.000000 1.192383 0.000000 3 1 0 1.032634 -0.596192 0.000000 4 1 0 -1.032634 -0.596192 0.000000 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 1 B 0.000000 2 H 1.192383 0.000000 3 H 1.192383 2.065268 0.000000 4 H 1.192383 2.065268 2.065268 0.000000 Stoichiometry BH3 Framework group D3H[O(B),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 5 0 0.000000 0.000000 0.000000 2 1 0 0.000000 1.192383 0.000000 3 1 0 1.032634 -0.596192 0.000000 4 1 0 -1.032634 -0.596192 0.000000 --------------------------------------------------------------------- Rotational constants (GHZ): 235.1305997 235.1305997 117.5652999 Standard basis: 6-31G(d,p) (6D, 7F) There are 15 symmetry adapted cartesian basis functions of A1 symmetry. There are 2 symmetry adapted cartesian basis functions of A2 symmetry. There are 8 symmetry adapted cartesian basis functions of B1 symmetry. There are 5 symmetry adapted cartesian basis functions of B2 symmetry. There are 15 symmetry adapted basis functions of A1 symmetry. There are 2 symmetry adapted basis functions of A2 symmetry. There are 8 symmetry adapted basis functions of B1 symmetry. There are 5 symmetry adapted basis functions of B2 symmetry. 30 basis functions, 49 primitive gaussians, 30 cartesian basis functions 4 alpha electrons 4 beta electrons nuclear repulsion energy 7.4256501578 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= 30 RedAO= T EigKep= 4.19D-02 NBF= 15 2 8 5 NBsUse= 30 1.00D-06 EigRej= -1.00D+00 NBFU= 15 2 8 5 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 (A1') (A1') (E') (E') Virtual (A2") (A1') (E') (E') (E') (E') (A2") (A1') (E') (E') (A1') (E") (E") (A1') (E') (E') (A2') (A2") (E") (E") (E') (E') (A1') (E') (E') (A1') The electronic state of the initial guess is 1-A1'. Keep R1 ints in memory in symmetry-blocked form, NReq=994431. 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) = -26.6153236373 A.U. after 8 cycles NFock= 8 Conv=0.88D-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=971156. There are 9 degrees of freedom in the 1st order CPHF. IDoFFX=4 NUNeed= 9. 9 vectors produced by pass 0 Test12= 1.16D-15 1.11D-08 XBig12= 8.58D+00 2.15D+00. AX will form 9 AO Fock derivatives at one time. 9 vectors produced by pass 1 Test12= 1.16D-15 1.11D-08 XBig12= 6.51D-02 1.44D-01. 9 vectors produced by pass 2 Test12= 1.16D-15 1.11D-08 XBig12= 9.81D-05 4.88D-03. 8 vectors produced by pass 3 Test12= 1.16D-15 1.11D-08 XBig12= 9.85D-07 5.51D-04. 7 vectors produced by pass 4 Test12= 1.16D-15 1.11D-08 XBig12= 2.70D-10 7.98D-06. 3 vectors produced by pass 5 Test12= 1.16D-15 1.11D-08 XBig12= 8.65D-14 1.08D-07. InvSVY: IOpt=1 It= 1 EMax= 6.88D-17 Solved reduced A of dimension 45 with 9 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 (A1') (A1') (E') (E') Virtual (A2") (A1') (E') (E') (E') (E') (A2") (A1') (E') (E') (A1') (E") (E") (A1') (E') (E') (A2') (A2") (E") (E") (E') (E') (A1') (E') (E') (A1') The electronic state is 1-A1'. Alpha occ. eigenvalues -- -6.77142 -0.51253 -0.35079 -0.35079 Alpha virt. eigenvalues -- -0.06606 0.16836 0.17928 0.17928 0.38116 Alpha virt. eigenvalues -- 0.38116 0.44413 0.47386 0.90326 0.90326 Alpha virt. eigenvalues -- 0.91297 1.17085 1.17085 1.57598 1.62056 Alpha virt. eigenvalues -- 1.62056 2.00618 2.21189 2.39228 2.39228 Alpha virt. eigenvalues -- 2.55204 2.55204 3.00170 3.24475 3.24475 Alpha virt. eigenvalues -- 3.46272 Condensed to atoms (all electrons): 1 2 3 4 1 B 3.673032 0.410804 0.410804 0.410804 2 H 0.410804 0.671555 -0.025420 -0.025420 3 H 0.410804 -0.025420 0.671555 -0.025420 4 H 0.410804 -0.025420 -0.025420 0.671555 Mulliken charges: 1 1 B 0.094557 2 H -0.031519 3 H -0.031519 4 H -0.031519 Sum of Mulliken charges = 0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 B 0.000000 APT charges: 1 1 B 0.513709 2 H -0.171233 3 H -0.171236 4 H -0.171236 Sum of APT charges = 0.00000 APT charges with hydrogens summed into heavy atoms: 1 1 B 0.000005 Electronic spatial extent (au): = 33.8277 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= -9.0173 YY= -9.0173 ZZ= -6.9777 XY= 0.0000 XZ= 0.0000 YZ= 0.0000 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= -0.6799 YY= -0.6799 ZZ= 1.3597 XY= 0.0000 XZ= 0.0000 YZ= 0.0000 Octapole moment (field-independent basis, Debye-Ang**2): XXX= 0.0000 YYY= 0.1136 ZZZ= 0.0000 XYY= 0.0000 XXY= -0.1136 XXZ= 0.0000 XZZ= 0.0000 YZZ= 0.0000 YYZ= 0.0000 XYZ= 0.0000 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -22.5360 YYYY= -22.5360 ZZZZ= -6.6228 XXXY= 0.0000 XXXZ= 0.0000 YYYX= 0.0000 YYYZ= 0.0000 ZZZX= 0.0000 ZZZY= 0.0000 XXYY= -7.5120 XXZZ= -5.0909 YYZZ= -5.0909 XXYZ= 0.0000 YYXZ= 0.0000 ZZXY= 0.0000 N-N= 7.425650157818D+00 E-N=-7.542390200455D+01 KE= 2.631774875399D+01 Symmetry A1 KE= 2.486127914144D+01 Symmetry A2 KE= 5.913468475414D-34 Symmetry B1 KE= 1.456469612552D+00 Symmetry B2 KE= 3.773964808234D-33 Exact polarizability: 15.871 0.000 15.870 0.000 0.000 8.185 Approx polarizability: 18.732 0.000 18.732 0.000 0.000 10.594 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 --- -0.3328 -0.0105 0.0009 15.0662 15.0699 17.9032 Low frequencies --- 1163.0908 1213.2172 1213.2174 Diagonal vibrational polarizability: 0.7182482 0.7182164 1.8412468 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 -- 1163.0908 1213.2172 1213.2174 Red. masses -- 1.2531 1.1072 1.1072 Frc consts -- 0.9988 0.9601 0.9601 IR Inten -- 92.5563 14.0604 14.0599 Atom AN X Y Z X Y Z X Y Z 1 5 0.00 0.00 0.16 -0.10 0.00 0.00 0.00 0.10 0.00 2 1 0.00 0.00 -0.57 0.81 0.00 0.00 0.00 0.08 0.00 3 1 0.00 0.00 -0.57 0.14 0.39 0.00 -0.39 -0.59 0.00 4 1 0.00 0.00 -0.57 0.14 -0.39 0.00 0.39 -0.59 0.00 4 5 6 A1' E' E' Frequencies -- 2582.1756 2715.2730 2715.2740 Red. masses -- 1.0078 1.1273 1.1273 Frc consts -- 3.9592 4.8971 4.8971 IR Inten -- 0.0000 126.3461 126.3401 Atom AN X Y Z X Y Z X Y Z 1 5 0.00 0.00 0.00 0.11 0.00 0.00 0.00 0.11 0.00 2 1 0.00 0.58 0.00 0.02 0.00 0.00 0.00 -0.81 0.00 3 1 0.50 -0.29 0.00 -0.60 0.36 0.00 0.36 -0.19 0.00 4 1 -0.50 -0.29 0.00 -0.60 -0.36 0.00 -0.36 -0.19 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 -- 7.67548 7.67548 15.35097 X 0.73994 0.67267 0.00000 Y -0.67267 0.73994 0.00000 Z 0.00000 0.00000 1.00000 This molecule is an oblate symmetric top. Rotational symmetry number 6. Rotational temperatures (Kelvin) 11.28448 11.28448 5.64224 Rotational constants (GHZ): 235.13060 235.13060 117.56530 Zero-point vibrational energy 69396.9 (Joules/Mol) 16.58625 (Kcal/Mol) Vibrational temperatures: 1673.43 1745.55 1745.55 3715.17 3906.67 (Kelvin) 3906.67 Zero-point correction= 0.026432 (Hartree/Particle) Thermal correction to Energy= 0.029316 Thermal correction to Enthalpy= 0.030260 Thermal correction to Gibbs Free Energy= 0.008880 Sum of electronic and zero-point Energies= -26.588892 Sum of electronic and thermal Energies= -26.586008 Sum of electronic and thermal Enthalpies= -26.585064 Sum of electronic and thermal Free Energies= -26.606443 E (Thermal) CV S KCal/Mol Cal/Mol-Kelvin Cal/Mol-Kelvin Total 18.396 6.587 44.997 Electronic 0.000 0.000 0.000 Translational 0.889 2.981 33.864 Rotational 0.889 2.981 11.006 Vibrational 16.618 0.626 0.127 Q Log10(Q) Ln(Q) Total Bot 0.822881D-04 -4.084663 -9.405284 Total V=0 0.118338D+09 8.073125 18.589058 Vib (Bot) 0.701936D-12 -12.153703 -27.984935 Vib (V=0) 0.100945D+01 0.004086 0.009407 Electronic 0.100000D+01 0.000000 0.000000 Translational 0.206619D+07 6.315171 14.541218 Rotational 0.567373D+02 1.753869 4.038432 ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 5 0.000000000 0.000000000 0.000000000 2 1 0.000000000 -0.000027007 0.000000000 3 1 -0.000023389 0.000013503 0.000000000 4 1 0.000023389 0.000013503 0.000000000 ------------------------------------------------------------------- Cartesian Forces: Max 0.000027007 RMS 0.000013503 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 0.41904 Y1 0.00000 0.41904 Z1 0.00000 0.00000 0.12144 X2 -0.04036 0.00000 0.00000 0.03344 Y2 0.00000 -0.23900 0.00000 0.00000 0.25064 Z2 0.00000 0.00000 -0.04048 0.00000 0.00000 X3 -0.18934 0.08602 0.00000 0.00346 -0.00125 Y3 0.08602 -0.09002 0.00000 0.01731 -0.00582 Z3 0.00000 0.00000 -0.04048 0.00000 0.00000 X4 -0.18934 -0.08602 0.00000 0.00346 0.00125 Y4 -0.08602 -0.09002 0.00000 -0.01731 -0.00582 Z4 0.00000 0.00000 -0.04048 0.00000 0.00000 Z2 X3 Y3 Z3 X4 Z2 0.01350 X3 0.00000 0.19634 Y3 0.00000 -0.09405 0.08774 Z3 0.01349 0.00000 0.00000 0.01350 X4 0.00000 -0.01045 -0.00928 0.00000 0.19634 Y4 0.00000 0.00928 0.00809 0.00000 0.09405 Z4 0.01349 0.00000 0.00000 0.01349 0.00000 Y4 Z4 Y4 0.08774 Z4 0.00000 0.01350 ITU= 0 Eigenvalues --- 0.07545 0.07545 0.13872 0.25430 0.56253 Eigenvalues --- 0.56253 Angle between quadratic step and forces= 0.00 degrees. ClnCor: largest displacement from symmetrization is 1.09D-11 for atom 3. Linear search not attempted -- first point. ClnCor: largest displacement from symmetrization is 4.97D-16 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 2.25328 -0.00003 0.00000 -0.00011 -0.00011 2.25317 Z2 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 X3 1.95140 -0.00002 0.00000 -0.00009 -0.00009 1.95130 Y3 -1.12664 0.00001 0.00000 0.00005 0.00005 -1.12659 Z3 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 X4 -1.95140 0.00002 0.00000 0.00009 0.00009 -1.95130 Y4 -1.12664 0.00001 0.00000 0.00005 0.00005 -1.12659 Z4 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 Item Value Threshold Converged? Maximum Force 0.000027 0.000450 YES RMS Force 0.000014 0.000300 YES Maximum Displacement 0.000106 0.001800 YES RMS Displacement 0.000053 0.001200 YES Predicted change in Energy=-4.302205D-09 Optimization completed. -- Stationary point found. GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad 1|1| IMPERIAL COLLEGE-CHWS-291|Freq|RB3LYP|6-31G(d,p)|B1H3|ACC212|04-M ar-2015|0||# freq b3lyp/6-31g(d,p) geom=connectivity integral=grid=ult rafine scf=conver=9||BH3 d3h freq||0,1|B,0.,-0.000000125,0.|H,0.000000 232,1.192383,0.|H,1.0326339613,-0.5961918884,0.|H,-1.0326341933,-0.596 1914866,0.||Version=EM64W-G09RevD.01|State=1-A1'|HF=-26.6153236|RMSD=8 .754e-010|RMSF=1.350e-005|ZeroPoint=0.0264319|Thermal=0.0293157|Dipole =0.,0.,0.|DipoleDeriv=0.5332984,0.,0.,0.,0.5332788,0.,0.,0.,0.4745509, -0.0877213,0.,0.,0.,-0.2677891,0.,0.,0.,-0.1581892,-0.2227803,0.077972 3,0.,0.07797,-0.1327416,0.,0.,0.,-0.158185,-0.2227804,-0.0779723,0.,-0 .07797,-0.1327415,0.,0.,0.,-0.158185|Polar=15.8709977,0.,15.870432,0., 0.,8.1848513|PG=D03H [O(B1),3C2(H1)]|NImag=0||0.41903687,0.,0.41903919 ,0.,0.,0.12143702,-0.04035559,-0.00000004,0.,0.03344475,-0.00000004,-0 .23900381,0.,0.00000004,0.25063973,0.,0.,-0.04047784,0.,0.,0.01349839, -0.18934116,0.08601718,0.,0.00345546,-0.00124517,0.,0.19634095,0.08601 693,-0.09001770,0.,0.01730727,-0.00581800,0.,-0.09404821,0.08774353,0. ,0.,-0.04047872,0.,0.,0.01348973,0.,0.,0.01349839,-0.18934123,-0.08601 714,0.,0.00345545,0.00124517,0.,-0.01045473,-0.00927622,0.,0.19634102, -0.08601689,-0.09001763,0.,-0.01730727,-0.00581800,0.,0.00927622,0.008 09218,0.,0.09404816,0.08774346,0.,0.,-0.04047872,0.,0.,0.01348973,0.,0 .,0.01348973,0.,0.,0.01349839||0.,0.,0.,0.,0.00002701,0.,0.00002339,-0 .00001350,0.,-0.00002339,-0.00001350,0.|||@ BREAD HAS TO MOLD IN ORDER TO GET PENICILLIN. -- JERRY BOATZ Job cpu time: 0 days 0 hours 0 minutes 9.0 seconds. File lengths (MBytes): RWF= 5 Int= 0 D2E= 0 Chk= 1 Scr= 1 Normal termination of Gaussian 09 at Wed Mar 04 20:46:59 2015.