Entering Link 1 = C:\G09W\l1.exe PID= 3248. 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. 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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 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 01-Mar-2013 ****************************************** %chk=C:\Users\NF710\Documents\3rdyearlab\Module2\NH3BH3OPNF.chk ----------------------------------------------- # opt b3lyp/6-31g(d,p) geom=connectivity nosymm ----------------------------------------------- 1/14=-1,18=20,19=15,26=3,38=1,57=2/1,3; 2/9=110,12=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=1,74=-5/1,2,3; 4//1; 5/5=2,38=5/2; 6/7=2,8=2,9=2,10=2,28=1/1; 7/30=1/1,2,3,16; 1/14=-1,18=20,19=15/3(2); 2/9=110,15=1/2; 99//99; 2/9=110,15=1/2; 3/5=1,6=6,7=101,11=2,16=1,25=1,30=1,71=1,74=-5/1,2,3; 4/5=5,16=3/1; 5/5=2,38=5/2; 7/30=1/1,2,3,16; 1/14=-1,18=20,19=15/3(-5); 2/9=110,15=1/2; 6/7=2,8=2,9=2,10=2,19=2,28=1/1; 99/9=1/99; --------------------------- Ammonia Borane Optimisation --------------------------- Charge = 0 Multiplicity = 1 Symbolic Z-Matrix: H -1.09685 -0.39323 0.86561 H -1.09676 0.9463 -0.0923 H -1.09678 -0.55306 -0.77336 H 1.24181 0.48458 -1.06602 H 1.2418 0.68093 0.95266 H 1.24175 -1.16552 0.11335 N -0.73126 0.00001 0. B 0.93677 -0.00001 0.00001 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Initialization pass. ---------------------------- ! Initial Parameters ! ! (Angstroms and Degrees) ! -------------------------- -------------------------- ! Name Definition Value Derivative Info. ! -------------------------------------------------------------------------------- ! R1 R(1,7) 1.0186 estimate D2E/DX2 ! ! R2 R(2,7) 1.0186 estimate D2E/DX2 ! ! R3 R(3,7) 1.0186 estimate D2E/DX2 ! ! R4 R(4,8) 1.2101 estimate D2E/DX2 ! ! R5 R(5,8) 1.2101 estimate D2E/DX2 ! ! R6 R(6,8) 1.2101 estimate D2E/DX2 ! ! R7 R(7,8) 1.668 estimate D2E/DX2 ! ! A1 A(1,7,2) 107.8699 estimate D2E/DX2 ! ! A2 A(1,7,3) 107.8652 estimate D2E/DX2 ! ! A3 A(1,7,8) 111.0329 estimate D2E/DX2 ! ! A4 A(2,7,3) 107.8697 estimate D2E/DX2 ! ! A5 A(2,7,8) 111.0286 estimate D2E/DX2 ! ! A6 A(3,7,8) 111.0291 estimate D2E/DX2 ! ! A7 A(4,8,5) 113.8694 estimate D2E/DX2 ! ! A8 A(4,8,6) 113.8721 estimate D2E/DX2 ! ! A9 A(4,8,7) 104.6003 estimate D2E/DX2 ! ! A10 A(5,8,6) 113.8748 estimate D2E/DX2 ! ! A11 A(5,8,7) 104.6003 estimate D2E/DX2 ! ! A12 A(6,8,7) 104.5984 estimate D2E/DX2 ! ! D1 D(1,7,8,4) -179.9867 estimate D2E/DX2 ! ! D2 D(1,7,8,5) -59.9892 estimate D2E/DX2 ! ! D3 D(1,7,8,6) 60.0135 estimate D2E/DX2 ! ! D4 D(2,7,8,4) -59.9839 estimate D2E/DX2 ! ! D5 D(2,7,8,5) 60.0136 estimate D2E/DX2 ! ! D6 D(2,7,8,6) -179.9836 estimate D2E/DX2 ! ! D7 D(3,7,8,4) 60.0161 estimate D2E/DX2 ! ! D8 D(3,7,8,5) -179.9864 estimate D2E/DX2 ! ! D9 D(3,7,8,6) -59.9837 estimate D2E/DX2 ! -------------------------------------------------------------------------------- Trust Radius=3.00D-01 FncErr=1.00D-07 GrdErr=1.00D-06 Number of steps in this run= 38 maximum allowed number of steps= 100. GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 1 0 -1.096853 -0.393231 0.865606 2 1 0 -1.096761 0.946298 -0.092296 3 1 0 -1.096783 -0.553056 -0.773356 4 1 0 1.241814 0.484578 -1.066020 5 1 0 1.241802 0.680933 0.952659 6 1 0 1.241745 -1.165520 0.113352 7 7 0 -0.731260 0.000008 0.000001 8 5 0 0.936772 -0.000012 0.000010 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 H 0.000000 2 H 1.646789 0.000000 3 H 1.646736 1.646786 0.000000 4 H 3.157703 2.574929 2.575145 0.000000 5 H 2.575017 2.575117 3.157663 2.028206 0.000000 6 H 2.575142 3.157638 2.574893 2.028236 2.028257 7 N 1.018610 1.018614 1.018611 2.294391 2.294382 8 B 2.244885 2.244834 2.244838 1.210082 1.210070 6 7 8 6 H 0.000000 7 N 2.294352 0.000000 8 B 1.210068 1.668032 0.000000 Symmetry turned off by external request. Stoichiometry BH6N Framework group C1[X(BH6N)] Deg. of freedom 18 Full point group C1 NOp 1 Rotational constants (GHZ): 73.4670076 17.4995476 17.4994098 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. 60 basis functions, 98 primitive gaussians, 60 cartesian basis functions 9 alpha electrons 9 beta electrons nuclear repulsion energy 40.4348639250 Hartrees. NAtoms= 8 NActive= 8 NUniq= 8 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F One-electron integrals computed using PRISM. NBasis= 60 RedAO= T NBF= 60 NBsUse= 60 1.00D-06 NBFU= 60 Harris functional with IExCor= 402 diagonalized for initial guess. ExpMin= 1.27D-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=2651068. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RB3LYP) = -83.2246891823 A.U. after 11 cycles Convg = 0.6194D-08 -V/T = 2.0104 ********************************************************************** Population analysis using the SCF density. ********************************************************************** Alpha occ. eigenvalues -- -14.41344 -6.67466 -0.94739 -0.54785 -0.54784 Alpha occ. eigenvalues -- -0.50377 -0.34682 -0.26699 -0.26698 Alpha virt. eigenvalues -- 0.02811 0.10579 0.10580 0.18569 0.22062 Alpha virt. eigenvalues -- 0.22063 0.24955 0.45501 0.45501 0.47855 Alpha virt. eigenvalues -- 0.65294 0.65295 0.66862 0.78871 0.80132 Alpha virt. eigenvalues -- 0.80132 0.88737 0.95652 0.95654 0.99941 Alpha virt. eigenvalues -- 1.18497 1.18499 1.44147 1.54900 1.54901 Alpha virt. eigenvalues -- 1.66067 1.76068 1.76070 2.00514 2.08658 Alpha virt. eigenvalues -- 2.18090 2.18091 2.27025 2.27027 2.29435 Alpha virt. eigenvalues -- 2.44306 2.44307 2.44801 2.69147 2.69150 Alpha virt. eigenvalues -- 2.72446 2.90637 2.90641 3.04012 3.16335 Alpha virt. eigenvalues -- 3.21872 3.21873 3.40163 3.40165 3.63709 Alpha virt. eigenvalues -- 4.11334 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 H 0.418975 -0.021356 -0.021360 0.003400 -0.001440 -0.001438 2 H -0.021356 0.418966 -0.021355 -0.001440 -0.001438 0.003400 3 H -0.021360 -0.021355 0.418970 -0.001438 0.003400 -0.001440 4 H 0.003400 -0.001440 -0.001438 0.766730 -0.020040 -0.020039 5 H -0.001440 -0.001438 0.003400 -0.020040 0.766710 -0.020034 6 H -0.001438 0.003400 -0.001440 -0.020039 -0.020034 0.766729 7 N 0.338483 0.338483 0.338483 -0.027541 -0.027543 -0.027547 8 B -0.017535 -0.017537 -0.017537 0.417335 0.417341 0.417336 7 8 1 H 0.338483 -0.017535 2 H 0.338483 -0.017537 3 H 0.338483 -0.017537 4 H -0.027541 0.417335 5 H -0.027543 0.417341 6 H -0.027547 0.417336 7 N 6.475903 0.182861 8 B 0.182861 3.582096 Mulliken atomic charges: 1 1 H 0.302273 2 H 0.302279 3 H 0.302278 4 H -0.116967 5 H -0.116957 6 H -0.116967 7 N -0.591580 8 B 0.035640 Sum of Mulliken atomic charges = 0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 7 N 0.315250 8 B -0.315250 Sum of Mulliken charges with hydrogens summed into heavy atoms = 0.00000 Electronic spatial extent (au): = 117.9542 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= -5.5654 Y= 0.0001 Z= 0.0000 Tot= 5.5654 Quadrupole moment (field-independent basis, Debye-Ang): XX= -16.1084 YY= -15.5751 ZZ= -15.5754 XY= 0.0001 XZ= 0.0000 YZ= 0.0000 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= -0.3555 YY= 0.1779 ZZ= 0.1776 XY= 0.0001 XZ= 0.0000 YZ= 0.0000 Octapole moment (field-independent basis, Debye-Ang**2): XXX= -18.3946 YYY= 1.5251 ZZZ= 0.4572 XYY= -8.1091 XXY= -0.0002 XXZ= 0.0002 XZZ= -8.1090 YZZ= -1.5247 YYZ= -0.4574 XYZ= 0.0001 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -106.7240 YYYY= -34.2975 ZZZZ= -34.2972 XXXY= 0.0004 XXXZ= -0.0002 YYYX= -0.7510 YYYZ= 0.0000 ZZZX= -0.2257 ZZZY= 0.0001 XXYY= -23.5237 XXZZ= -23.5237 YYZZ= -11.4324 XXYZ= -0.0001 YYXZ= 0.2259 ZZXY= 0.7512 N-N= 4.043486392499D+01 E-N=-2.729561622511D+02 KE= 8.236627129524D+01 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 1 0.000062278 0.000043585 -0.000098651 2 1 0.000064372 -0.000110144 0.000011194 3 1 0.000052469 0.000069771 0.000079063 4 1 -0.000051374 -0.000052470 0.000117729 5 1 -0.000045574 -0.000074085 -0.000096563 6 1 -0.000053127 0.000125291 -0.000006152 7 7 -0.000085520 0.000004797 0.000009140 8 5 0.000056476 -0.000006746 -0.000015760 ------------------------------------------------------------------- Cartesian Forces: Max 0.000125291 RMS 0.000068126 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Internal Forces: Max 0.000137295 RMS 0.000063169 Search for a local minimum. Step number 1 out of a maximum of 38 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Second derivative matrix not updated -- first step. ITU= 0 Eigenvalues --- 0.00230 0.05426 0.05427 0.06602 0.06602 Eigenvalues --- 0.16000 0.16000 0.16000 0.16000 0.16000 Eigenvalues --- 0.16000 0.19631 0.23944 0.23945 0.23945 Eigenvalues --- 0.44560 0.44560 0.44561 RFO step: Lambda=-4.07491955D-07 EMin= 2.30000000D-03 Linear search not attempted -- first point. Iteration 1 RMS(Cart)= 0.00045604 RMS(Int)= 0.00000008 Iteration 2 RMS(Cart)= 0.00000008 RMS(Int)= 0.00000001 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 1.92489 -0.00012 0.00000 -0.00028 -0.00028 1.92462 R2 1.92490 -0.00013 0.00000 -0.00029 -0.00029 1.92461 R3 1.92490 -0.00012 0.00000 -0.00026 -0.00026 1.92464 R4 2.28672 -0.00014 0.00000 -0.00057 -0.00057 2.28615 R5 2.28670 -0.00013 0.00000 -0.00053 -0.00053 2.28617 R6 2.28670 -0.00014 0.00000 -0.00057 -0.00057 2.28613 R7 3.15212 -0.00009 0.00000 -0.00048 -0.00048 3.15165 A1 1.88269 0.00002 0.00000 0.00012 0.00012 1.88281 A2 1.88260 0.00002 0.00000 0.00013 0.00013 1.88273 A3 1.93789 -0.00002 0.00000 -0.00011 -0.00011 1.93778 A4 1.88268 0.00001 0.00000 0.00006 0.00006 1.88274 A5 1.93781 -0.00002 0.00000 -0.00012 -0.00012 1.93770 A6 1.93782 -0.00001 0.00000 -0.00006 -0.00006 1.93776 A7 1.98740 0.00002 0.00000 0.00011 0.00011 1.98751 A8 1.98744 0.00002 0.00000 0.00017 0.00017 1.98761 A9 1.82562 -0.00002 0.00000 -0.00014 -0.00014 1.82548 A10 1.98749 0.00002 0.00000 0.00007 0.00007 1.98756 A11 1.82562 -0.00002 0.00000 -0.00015 -0.00015 1.82547 A12 1.82559 -0.00002 0.00000 -0.00014 -0.00014 1.82544 D1 -3.14136 0.00000 0.00000 -0.00065 -0.00065 3.14118 D2 -1.04701 0.00000 0.00000 -0.00066 -0.00066 -1.04766 D3 1.04743 0.00000 0.00000 -0.00071 -0.00071 1.04672 D4 -1.04692 0.00000 0.00000 -0.00065 -0.00065 -1.04756 D5 1.04744 0.00000 0.00000 -0.00065 -0.00065 1.04678 D6 -3.14131 0.00000 0.00000 -0.00071 -0.00071 3.14117 D7 1.04748 0.00000 0.00000 -0.00069 -0.00069 1.04679 D8 -3.14136 0.00000 0.00000 -0.00070 -0.00070 3.14113 D9 -1.04691 -0.00001 0.00000 -0.00075 -0.00075 -1.04767 Item Value Threshold Converged? Maximum Force 0.000137 0.000450 YES RMS Force 0.000063 0.000300 YES Maximum Displacement 0.000740 0.001800 YES RMS Displacement 0.000456 0.001200 YES Predicted change in Energy=-2.037459D-07 Optimization completed. -- Stationary point found. ---------------------------- ! Optimized Parameters ! ! (Angstroms and Degrees) ! -------------------------- -------------------------- ! Name Definition Value Derivative Info. ! -------------------------------------------------------------------------------- ! R1 R(1,7) 1.0186 -DE/DX = -0.0001 ! ! R2 R(2,7) 1.0186 -DE/DX = -0.0001 ! ! R3 R(3,7) 1.0186 -DE/DX = -0.0001 ! ! R4 R(4,8) 1.2101 -DE/DX = -0.0001 ! ! R5 R(5,8) 1.2101 -DE/DX = -0.0001 ! ! R6 R(6,8) 1.2101 -DE/DX = -0.0001 ! ! R7 R(7,8) 1.668 -DE/DX = -0.0001 ! ! A1 A(1,7,2) 107.8699 -DE/DX = 0.0 ! ! A2 A(1,7,3) 107.8652 -DE/DX = 0.0 ! ! A3 A(1,7,8) 111.0329 -DE/DX = 0.0 ! ! A4 A(2,7,3) 107.8697 -DE/DX = 0.0 ! ! A5 A(2,7,8) 111.0286 -DE/DX = 0.0 ! ! A6 A(3,7,8) 111.0291 -DE/DX = 0.0 ! ! A7 A(4,8,5) 113.8694 -DE/DX = 0.0 ! ! A8 A(4,8,6) 113.8721 -DE/DX = 0.0 ! ! A9 A(4,8,7) 104.6003 -DE/DX = 0.0 ! ! A10 A(5,8,6) 113.8748 -DE/DX = 0.0 ! ! A11 A(5,8,7) 104.6003 -DE/DX = 0.0 ! ! A12 A(6,8,7) 104.5984 -DE/DX = 0.0 ! ! D1 D(1,7,8,4) 180.0133 -DE/DX = 0.0 ! ! D2 D(1,7,8,5) -59.9892 -DE/DX = 0.0 ! ! D3 D(1,7,8,6) 60.0135 -DE/DX = 0.0 ! ! D4 D(2,7,8,4) -59.9839 -DE/DX = 0.0 ! ! D5 D(2,7,8,5) 60.0136 -DE/DX = 0.0 ! ! D6 D(2,7,8,6) 180.0164 -DE/DX = 0.0 ! ! D7 D(3,7,8,4) 60.0161 -DE/DX = 0.0 ! ! D8 D(3,7,8,5) 180.0136 -DE/DX = 0.0 ! ! D9 D(3,7,8,6) -59.9837 -DE/DX = 0.0 ! -------------------------------------------------------------------------------- GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 1 0 -1.096853 -0.393231 0.865606 2 1 0 -1.096761 0.946298 -0.092296 3 1 0 -1.096783 -0.553056 -0.773356 4 1 0 1.241814 0.484578 -1.066020 5 1 0 1.241802 0.680933 0.952659 6 1 0 1.241745 -1.165520 0.113352 7 7 0 -0.731260 0.000008 0.000001 8 5 0 0.936772 -0.000012 0.000010 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 H 0.000000 2 H 1.646789 0.000000 3 H 1.646736 1.646786 0.000000 4 H 3.157703 2.574929 2.575145 0.000000 5 H 2.575017 2.575117 3.157663 2.028206 0.000000 6 H 2.575142 3.157638 2.574893 2.028236 2.028257 7 N 1.018610 1.018614 1.018611 2.294391 2.294382 8 B 2.244885 2.244834 2.244838 1.210082 1.210070 6 7 8 6 H 0.000000 7 N 2.294352 0.000000 8 B 1.210068 1.668032 0.000000 Symmetry turned off by external request. Stoichiometry BH6N Framework group C1[X(BH6N)] Deg. of freedom 18 Full point group C1 NOp 1 Rotational constants (GHZ): 73.4670076 17.4995476 17.4994098 1|1|UNPC-CHWS-LAP81|FOpt|RB3LYP|6-31G(d,p)|B1H6N1|NF710|01-Mar-2013|0| |# opt b3lyp/6-31g(d,p) geom=connectivity nosymm||Ammonia Borane Optim isation||0,1|H,-1.096853,-0.393231,0.865606|H,-1.096761,0.946298,-0.09 2296|H,-1.096783,-0.553056,-0.773356|H,1.241814,0.484578,-1.06602|H,1. 241802,0.680933,0.952659|H,1.241745,-1.16552,0.113352|N,-0.73126,0.000 008,0.000001|B,0.936772,-0.000012,0.00001||Version=EM64W-G09RevC.01|HF =-83.2246892|RMSD=6.194e-009|RMSF=6.813e-005|Dipole=-2.1895981,0.00002 28,-0.0000119|Quadrupole=-0.2642763,0.1322535,0.1320229,0.00009,-0.000 0025,-0.0000098|PG=C01 [X(B1H6N1)]||@ 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 9.0 seconds. File lengths (MBytes): RWF= 5 Int= 0 D2E= 0 Chk= 1 Scr= 1 Normal termination of Gaussian 09 at Fri Mar 01 12:37:52 2013.