Entering Gaussian System, Link 0=/u1/pgm/g03/g03 Initial command: /u1/pgm/g03/l1.exe /work1/user/g03scratch/c11-h2o_4-rhf/Gau-3129.inp -scrdir=/work1/user/g03scratch/c11-h2o_4-rhf/ Entering Link 1 = /u1/pgm/g03/l1.exe PID= 3130. Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2004, Gaussian, Inc. All Rights Reserved. This is the Gaussian(R) 03 program. It is based on the 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 03, Revision C.02, M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, J. A. Montgomery, Jr., T. Vreven, K. N. Kudin, J. C. Burant, J. M. Millam, S. S. Iyengar, J. Tomasi, V. Barone, B. Mennucci, M. Cossi, G. Scalmani, N. Rega, G. A. Petersson, H. Nakatsuji, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, M. Klene, X. Li, J. E. Knox, H. P. Hratchian, J. B. Cross, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann, O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J. W. Ochterski, P. Y. Ayala, K. Morokuma, G. A. Voth, P. Salvador, J. J. Dannenberg, V. G. Zakrzewski, S. Dapprich, A. D. Daniels, M. C. Strain, O. Farkas, D. K. Malick, A. D. Rabuck, K. Raghavachari, J. B. Foresman, J. V. Ortiz, Q. Cui, A. G. Baboul, S. Clifford, J. Cioslowski, B. B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. L. Martin, D. J. Fox, T. Keith, M. A. Al-Laham, C. Y. Peng, A. Nanayakkara, M. Challacombe, P. M. W. Gill, B. Johnson, W. Chen, M. W. Wong, C. Gonzalez, and J. A. Pople, Gaussian, Inc., Wallingford CT, 2004. ****************************************** Gaussian 03: IA32L-G03RevC.02 12-Jun-2004 21-Jul-2005 ****************************************** %mem=30000000 ------------------------------- #p RHF/cc-pVDZ scfcyc=50 NoSymm ------------------------------- 1/38=1/1; 2/15=1,17=6,18=5,40=1/2; 3/5=16,11=1,16=1,25=1,30=1/1,2,3; 4/7=1/1; 5/5=2,7=50,32=1,38=5/2; 6/7=2,8=2,9=2,10=2,28=1/1; 99/5=1,9=1/99; Leave Link 1 at Thu Jul 21 16:47:49 2005, MaxMem= 30000000 cpu: 0.1 (Enter /u1/pgm/g03/l101.exe) ------ (H2O)4 ------ Symbolic Z-matrix: Charge = 0 Multiplicity = 1 O -5. -5. -5. H -4.32004 -4.32004 -5. H -5.82582 -4.50734 -5. O -2.5 -2.5 -5. H -1.82004 -1.82004 -5. H -3.32582 -2.00734 -5. O -5. -2.5 -2.5 H -4.32004 -1.82004 -2.5 H -5.82582 -2.00734 -2.5 O -2.5 -5. -2.5 H -1.82004 -4.32004 -2.5 H -3.32582 -4.50734 -2.5 Isotopes and Nuclear Properties: Atom 1 2 3 4 5 6 7 8 9 10 IAtWgt= 16 1 1 16 1 1 16 1 1 16 AtmWgt= 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 1.0078250 1.0078250 15.9949146 IAtSpn= 0 1 1 0 1 1 0 1 1 0 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 AtQMom= 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 AtGFac= 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 2.7928460 2.7928460 0.0000000 Atom 11 12 IAtWgt= 1 1 AtmWgt= 1.0078250 1.0078250 IAtSpn= 1 1 AtZEff= 0.0000000 0.0000000 AtQMom= 0.0000000 0.0000000 AtGFac= 2.7928460 2.7928460 Leave Link 101 at Thu Jul 21 16:47:49 2005, MaxMem= 30000000 cpu: 0.1 (Enter /u1/pgm/g03/l202.exe) Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 8 0 -5.000000 -5.000000 -5.000000 2 1 0 -4.320037 -4.320037 -5.000000 3 1 0 -5.825822 -4.507336 -5.000000 4 8 0 -2.500000 -2.500000 -5.000000 5 1 0 -1.820037 -1.820037 -5.000000 6 1 0 -3.325822 -2.007336 -5.000000 7 8 0 -5.000000 -2.500000 -2.500000 8 1 0 -4.320037 -1.820037 -2.500000 9 1 0 -5.825822 -2.007336 -2.500000 10 8 0 -2.500000 -5.000000 -2.500000 11 1 0 -1.820037 -4.320037 -2.500000 12 1 0 -3.325822 -4.507336 -2.500000 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 O 0.000000 2 H 0.961613 0.000000 3 H 0.961613 1.517389 0.000000 4 O 3.535534 2.573921 3.884648 0.000000 5 H 4.497147 3.535534 4.823680 0.961613 0.000000 6 H 3.429127 2.517350 3.535534 0.961613 1.517389 7 O 3.535534 3.166210 3.310797 3.535534 4.101770 8 H 4.101770 3.535534 3.967236 3.166210 3.535534 9 H 3.985978 3.723704 3.535534 4.189727 4.725610 10 O 3.535534 3.166210 4.189727 3.535534 4.101770 11 H 4.101770 3.535534 4.725610 3.166210 3.535534 12 H 3.048867 2.696951 3.535534 3.310797 3.967236 6 7 8 9 10 6 H 0.000000 7 O 3.048867 0.000000 8 H 2.696951 0.961613 0.000000 9 H 3.535534 0.961613 1.517389 0.000000 10 O 3.985978 3.535534 3.663973 4.474051 0.000000 11 H 3.723704 3.663973 3.535534 4.625462 0.961613 12 H 3.535534 2.613861 2.865317 3.535534 0.961613 11 12 11 H 0.000000 12 H 1.517389 0.000000 Symmetry turned off by external request. Stoichiometry H8O4 Framework group C1[X(H8O4)] Deg. of freedom 30 Full point group C1 NOp 1 Rotational constants (GHZ): 2.2201621 2.1994705 2.1758016 Leave Link 202 at Thu Jul 21 16:47:50 2005, MaxMem= 30000000 cpu: 0.1 (Enter /u1/pgm/g03/l301.exe) Standard basis: CC-pVDZ (5D, 7F) Integral buffers will be 262144 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned off. 96 basis functions, 188 primitive gaussians, 100 cartesian basis functions 20 alpha electrons 20 beta electrons nuclear repulsion energy 126.4146267951 Hartrees. IExCor= 0 DFT=F Ex=HF Corr=None ExCW=0 ScaHFX= 1.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 IRadAn= 0 IRanWt= -1 IRanGd= 0 ICorTp=0 NAtoms= 12 NActive= 12 NUniq= 12 SFac= 1.00D+00 NAtFMM= 60 Big=F Leave Link 301 at Thu Jul 21 16:47:50 2005, MaxMem= 30000000 cpu: 0.0 (Enter /u1/pgm/g03/l302.exe) NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. NBasis= 96 RedAO= T NBF= 96 NBsUse= 96 1.00D-06 NBFU= 96 Leave Link 302 at Thu Jul 21 16:47:51 2005, MaxMem= 30000000 cpu: 0.2 (Enter /u1/pgm/g03/l303.exe) DipDrv: MaxL=1. Leave Link 303 at Thu Jul 21 16:47:52 2005, MaxMem= 30000000 cpu: 0.0 (Enter /u1/pgm/g03/l401.exe) Harris functional with IExCor= 205 diagonalized for initial guess. ExpMin= 1.22D-01 ExpMax= 1.17D+04 ExpMxC= 4.01D+02 IAcc=1 IRadAn= 1 AccDes= 1.00D-06 HarFok: IExCor= 205 AccDes= 1.00D-06 IRadAn= 1 IDoV=1 ScaDFX= 1.000000 1.000000 1.000000 1.000000 Harris En= -304.480792681640 Leave Link 401 at Thu Jul 21 16:47:53 2005, MaxMem= 30000000 cpu: 1.1 (Enter /u1/pgm/g03/l502.exe) Warning! Cutoffs for single-point calculations used. Closed shell SCF: Requested convergence on RMS density matrix=1.00D-04 within 50 cycles. Requested convergence on MAX density matrix=1.00D-02. Requested convergence on energy=5.00D-05. No special actions if energy rises. Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep R1 integrals in memory in canonical form, NReq= 13730200. IEnd= 36361 IEndB= 36361 NGot= 30000000 MDV= 17222551 LenX= 17222551 Symmetry not used in FoFDir. MinBra= 0 MaxBra= 2 Meth= 1. IRaf= 0 NMat= 1 IRICut= 1 DoRegI=T DoRafI=F ISym2E= 0 JSym2E=0. Cycle 1 Pass 1 IDiag 1: E= -303.770568475671 DIIS: error= 5.61D-02 at cycle 1 NSaved= 1. NSaved= 1 IEnMin= 1 EnMin= -303.770568475671 IErMin= 1 ErrMin= 5.61D-02 ErrMax= 5.61D-02 EMaxC= 1.00D-01 BMatC= 5.13D-01 BMatP= 5.13D-01 IDIUse=3 WtCom= 4.39D-01 WtEn= 5.61D-01 Coeff-Com: 0.100D+01 Coeff-En: 0.100D+01 Coeff: 0.100D+01 Gap= 0.490 Goal= None Shift= 0.000 GapD= 0.490 DampG=2.000 DampE=0.500 DampFc=1.0000 IDamp=-1. RMSDP=6.08D-03 MaxDP=1.21D-01 OVMax= 1.28D-01 Cycle 2 Pass 1 IDiag 1: E= -304.001226893634 Delta-E= -0.230658417963 Rises=F Damp=F DIIS: error= 3.38D-02 at cycle 2 NSaved= 2. NSaved= 2 IEnMin= 2 EnMin= -304.001226893634 IErMin= 2 ErrMin= 3.38D-02 ErrMax= 3.38D-02 EMaxC= 1.00D-01 BMatC= 1.65D-01 BMatP= 5.13D-01 IDIUse=3 WtCom= 6.62D-01 WtEn= 3.38D-01 Coeff-Com: 0.351D+00 0.649D+00 Coeff-En: 0.108D+00 0.892D+00 Coeff: 0.269D+00 0.731D+00 Gap= 0.597 Goal= None Shift= 0.000 RMSDP=2.75D-03 MaxDP=5.53D-02 DE=-2.31D-01 OVMax= 4.82D-02 Cycle 3 Pass 1 IDiag 1: E= -304.110859658527 Delta-E= -0.109632764893 Rises=F Damp=F DIIS: error= 5.47D-03 at cycle 3 NSaved= 3. NSaved= 3 IEnMin= 3 EnMin= -304.110859658527 IErMin= 3 ErrMin= 5.47D-03 ErrMax= 5.47D-03 EMaxC= 1.00D-01 BMatC= 4.41D-03 BMatP= 1.65D-01 IDIUse=3 WtCom= 9.45D-01 WtEn= 5.47D-02 Coeff-Com: -0.350D-01 0.935D-01 0.942D+00 Coeff-En: 0.000D+00 0.000D+00 0.100D+01 Coeff: -0.331D-01 0.884D-01 0.945D+00 Gap= 0.582 Goal= None Shift= 0.000 RMSDP=3.99D-04 MaxDP=8.61D-03 DE=-1.10D-01 OVMax= 9.64D-03 Cycle 4 Pass 1 IDiag 1: E= -304.114215769391 Delta-E= -0.003356110864 Rises=F Damp=F DIIS: error= 6.40D-04 at cycle 4 NSaved= 4. NSaved= 4 IEnMin= 4 EnMin= -304.114215769391 IErMin= 4 ErrMin= 6.40D-04 ErrMax= 6.40D-04 EMaxC= 1.00D-01 BMatC= 3.24D-05 BMatP= 4.41D-03 IDIUse=3 WtCom= 9.94D-01 WtEn= 6.40D-03 Coeff-Com: 0.637D-02-0.420D-01-0.271D+00 0.131D+01 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.100D+01 Coeff: 0.633D-02-0.418D-01-0.269D+00 0.130D+01 Gap= 0.584 Goal= None Shift= 0.000 RMSDP=7.96D-05 MaxDP=1.59D-03 DE=-3.36D-03 OVMax= 1.98D-03 Cycle 5 Pass 1 IDiag 1: E= -304.114270945683 Delta-E= -0.000055176291 Rises=F Damp=F DIIS: error= 1.10D-04 at cycle 5 NSaved= 5. NSaved= 5 IEnMin= 5 EnMin= -304.114270945683 IErMin= 5 ErrMin= 1.10D-04 ErrMax= 1.10D-04 EMaxC= 1.00D-01 BMatC= 1.52D-06 BMatP= 3.24D-05 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.10D-03 Coeff-Com: 0.197D-02-0.837D-02-0.619D-01 0.121D+00 0.948D+00 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.100D+01 Coeff: 0.197D-02-0.836D-02-0.618D-01 0.121D+00 0.948D+00 Gap= 0.585 Goal= None Shift= 0.000 RMSDP=1.61D-05 MaxDP=4.29D-04 DE=-5.52D-05 OVMax= 4.40D-04 Cycle 6 Pass 1 IDiag 1: E= -304.114273290184 Delta-E= -0.000002344501 Rises=F Damp=F DIIS: error= 4.17D-05 at cycle 6 NSaved= 6. NSaved= 6 IEnMin= 6 EnMin= -304.114273290184 IErMin= 6 ErrMin= 4.17D-05 ErrMax= 4.17D-05 EMaxC= 1.00D-01 BMatC= 2.08D-07 BMatP= 1.52D-06 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.266D-03 0.268D-02 0.170D-01-0.120D+00 0.180D+00 0.920D+00 Coeff: -0.266D-03 0.268D-02 0.170D-01-0.120D+00 0.180D+00 0.920D+00 Gap= 0.585 Goal= None Shift= 0.000 RMSDP=5.87D-06 MaxDP=1.46D-04 DE=-2.34D-06 OVMax= 1.54D-04 SCF Done: E(RHF) = -304.114273290 A.U. after 6 cycles Convg = 0.5874D-05 -V/T = 2.0009 S**2 = 0.0000 KE= 3.038545670603D+02 PE=-9.757262671004D+02 EE= 2.413427999548D+02 Leave Link 502 at Thu Jul 21 16:47:58 2005, MaxMem= 30000000 cpu: 4.0 (Enter /u1/pgm/g03/l601.exe) Copying SCF densities to generalized density rwf, ISCF=0 IROHF=0. ********************************************************************** Population analysis using the SCF density. ********************************************************************** Alpha occ. eigenvalues -- -20.58412 -20.57946 -20.52944 -20.52020 -1.36625 Alpha occ. eigenvalues -- -1.36169 -1.31247 -1.30345 -0.72905 -0.72279 Alpha occ. eigenvalues -- -0.67424 -0.66488 -0.59820 -0.59226 -0.54445 Alpha occ. eigenvalues -- -0.53615 -0.52478 -0.51744 -0.47056 -0.46058 Alpha virt. eigenvalues -- 0.12436 0.18154 0.21411 0.23230 0.23996 Alpha virt. eigenvalues -- 0.26980 0.30697 0.35020 0.76361 0.78772 Alpha virt. eigenvalues -- 0.80426 0.81884 0.83400 0.85010 0.88523 Alpha virt. eigenvalues -- 0.91230 1.14844 1.15532 1.16295 1.18114 Alpha virt. eigenvalues -- 1.20015 1.22161 1.23087 1.23358 1.23598 Alpha virt. eigenvalues -- 1.28654 1.32829 1.35650 1.42082 1.44653 Alpha virt. eigenvalues -- 1.45454 1.48110 1.48397 1.48622 1.52733 Alpha virt. eigenvalues -- 1.54937 1.65666 1.65791 1.69491 1.70725 Alpha virt. eigenvalues -- 1.82536 1.86610 1.89130 1.90302 1.94595 Alpha virt. eigenvalues -- 1.95785 1.97894 2.03748 2.41825 2.42699 Alpha virt. eigenvalues -- 2.45563 2.46244 2.47349 2.48284 2.51749 Alpha virt. eigenvalues -- 2.52131 3.25211 3.25766 3.30200 3.30601 Alpha virt. eigenvalues -- 3.30772 3.31501 3.35630 3.36602 3.48201 Alpha virt. eigenvalues -- 3.48413 3.53031 3.54026 3.83823 3.85816 Alpha virt. eigenvalues -- 3.89190 3.90580 4.12570 4.14461 4.18870 Alpha virt. eigenvalues -- 4.19705 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 O 7.579797 0.366647 0.360709 -0.000519 0.000020 0.000500 2 H 0.366647 0.495283 -0.034554 0.010553 -0.000618 -0.000883 3 H 0.360709 -0.034554 0.529899 -0.000237 0.000004 0.000462 4 O -0.000519 0.010553 -0.000237 7.570327 0.361485 0.350366 5 H 0.000020 -0.000618 0.000004 0.361485 0.506199 -0.027285 6 H 0.000500 -0.000883 0.000462 0.350366 -0.027285 0.524188 7 O -0.000085 0.000759 0.001615 -0.000471 -0.000114 0.004664 8 H 0.000010 -0.000107 -0.000079 0.003224 0.000031 0.000479 9 H 0.000158 0.000031 0.000047 -0.000068 -0.000001 -0.000048 10 O -0.000424 0.003262 -0.000065 -0.000109 0.000105 -0.000003 11 H -0.000118 0.000082 -0.000004 0.003028 -0.000048 -0.000179 12 H 0.004742 -0.000162 -0.000065 0.000127 0.000029 -0.000017 7 8 9 10 11 12 1 O -0.000085 0.000010 0.000158 -0.000424 -0.000118 0.004742 2 H 0.000759 -0.000107 0.000031 0.003262 0.000082 -0.000162 3 H 0.001615 -0.000079 0.000047 -0.000065 -0.000004 -0.000065 4 O -0.000471 0.003224 -0.000068 -0.000109 0.003028 0.000127 5 H -0.000114 0.000031 -0.000001 0.000105 -0.000048 0.000029 6 H 0.004664 0.000479 -0.000048 -0.000003 -0.000179 -0.000017 7 O 7.568358 0.354367 0.361847 -0.000457 -0.000260 0.010490 8 H 0.354367 0.517837 -0.028554 0.000327 0.000386 -0.000716 9 H 0.361847 -0.028554 0.505826 0.000021 0.000003 -0.000477 10 O -0.000457 0.000327 0.000021 7.586240 0.362060 0.368071 11 H -0.000260 0.000386 0.000003 0.362060 0.526731 -0.034893 12 H 0.010490 -0.000716 -0.000477 0.368071 -0.034893 0.491134 Mulliken atomic charges: 1 1 O -0.311436 2 H 0.159708 3 H 0.142269 4 O -0.297706 5 H 0.160192 6 H 0.147756 7 O -0.300713 8 H 0.152794 9 H 0.161213 10 O -0.319027 11 H 0.143212 12 H 0.161738 Sum of Mulliken charges= 0.00000 Atomic charges with hydrogens summed into heavy atoms: 1 1 O -0.009459 2 H 0.000000 3 H 0.000000 4 O 0.010243 5 H 0.000000 6 H 0.000000 7 O 0.013294 8 H 0.000000 9 H 0.000000 10 O -0.014077 11 H 0.000000 12 H 0.000000 Sum of Mulliken charges= 0.00000 Electronic spatial extent (au): = 6702.1352 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= -1.0328 Y= 8.3436 Z= -0.0045 Tot= 8.4073 Quadrupole moment (field-independent basis, Debye-Ang): XX= -8.9014 YY= -83.9961 ZZ= -28.1165 XY= -26.7723 XZ= 3.1844 YZ= -31.1946 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= 31.4366 YY= -43.6581 ZZ= 12.2215 XY= -26.7723 XZ= 3.1844 YZ= -31.1946 Octapole moment (field-independent basis, Debye-Ang**2): XXX= 137.7398 YYY= 628.8616 ZZZ= 316.4779 XYY= 295.1773 XXY= 162.9886 XXZ= 38.6048 XZZ= 94.7953 YZZ= 233.5203 YYZ= 314.3508 XYZ= 102.3428 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -1275.2886 YYYY= -4330.2576 ZZZZ= -2657.9900 XXXY= -1119.7536 XXXZ= -549.3859 YYYX= -2267.4506 YYYZ= -2354.5345 ZZZX= -1148.4120 ZZZY= -1750.7177 XXYY= -1458.9910 XXZZ= -627.7370 YYZZ= -1742.1454 XXYZ= -623.0345 YYXZ= -1145.3808 ZZXY= -823.2026 N-N= 1.264146267951D+02 E-N=-9.757268324871D+02 KE= 3.038545670603D+02 No NMR shielding tensors so no spin-rotation constants. Leave Link 601 at Thu Jul 21 16:47:58 2005, MaxMem= 30000000 cpu: 0.3 (Enter /u1/pgm/g03/l9999.exe) 1\1\GINC-\SP\RHF\CC-pVDZ\H8O4\USER\21-Jul-2005\0\\#P RHF/CC-PV DZ SCFCYC=50 NOSYMM\\(H2O)4\\0,1\O,0,-5.,-5.,-5.\H,0,-4.320037,-4.3200 37,-5.\H,0,-5.825822,-4.507336,-5.\O,0,-2.5,-2.5,-5.\H,0,-1.820037,-1. 820037,-5.\H,0,-3.325822,-2.007336,-5.\O,0,-5.,-2.5,-2.5\H,0,-4.320037 ,-1.820037,-2.5\H,0,-5.825822,-2.007336,-2.5\O,0,-2.5,-5.,-2.5\H,0,-1. 820037,-4.320037,-2.5\H,0,-3.325822,-4.507336,-2.5\\Version=IA32L-G03R evC.02\HF=-304.1142733\RMSD=5.874e-06\Dipole=-0.4063495,3.2826323,-0.0 017871\PG=C01 [X(H8O4)]\\@ RESEARCH IS WHAT I AM DOING WHEN I DON'T KNOW WHAT I AM DOING. -- WERNER VON BRAUN Job cpu time: 0 days 0 hours 0 minutes 10.0 seconds. File lengths (MBytes): RWF= 11 Int= 0 D2E= 0 Chk= 7 Scr= 1 Normal termination of Gaussian 03 at Thu Jul 21 16:47:59 2005. 6.261u 3.734s 0:09.99 100.0% 0+0k 0+0io 4553pf+0w Files used were: ¹ç·× 0