Entering Gaussian System, Link 0=g09 Input=P.inp Output=P.out Initial command: /share/apps/gaussian/g09d01/nehalem/g09/l1.exe "/mnt/beegfs/tmpdir/42177/Gau-43873.inp" -scrdir="/mnt/beegfs/tmpdir/42177/" Entering Link 1 = /share/apps/gaussian/g09d01/nehalem/g09/l1.exe PID= 43874. 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. 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 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: ES64L-G09RevD.01 24-Apr-2013 29-Mar-2019 ****************************************** ------------------------------------- #p ROCCSD(T) cc-pVQZ pop=full gfprint ------------------------------------- 1/38=1/1; 2/12=2,17=6,18=5,40=1/2; 3/5=16,6=2,11=2,16=1,24=100,25=1,30=1,116=101/1,2,3; 4//1; 5/5=2,38=5/2; 8/5=-1,6=4,9=120000,10=1/1,4; 9/5=7,14=2/13; 6/7=3/1; 99/5=1,9=1/99; Leave Link 1 at Fri Mar 29 12:55:31 2019, MaxMem= 0 cpu: 0.0 (Enter /share/apps/gaussian/g09d01/nehalem/g09/l101.exe) -- G2 -- Symbolic Z-matrix: Charge = 0 Multiplicity = 4 P NAtoms= 1 NQM= 1 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 IAtWgt= 31 AtmWgt= 30.9737634 NucSpn= 1 AtZEff= 0.0000000 NQMom= 0.0000000 NMagM= 1.1316000 AtZNuc= 15.0000000 Leave Link 101 at Fri Mar 29 12:55:31 2019, MaxMem= 33554432 cpu: 0.1 (Enter /share/apps/gaussian/g09d01/nehalem/g09/l202.exe) Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 15 0 0.000000 0.000000 0.000000 --------------------------------------------------------------------- Stoichiometry P(4) Framework group OH[O(P)] Deg. of freedom 0 Full point group OH NOp 48 Largest Abelian subgroup D2H NOp 8 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 15 0 0.000000 0.000000 0.000000 --------------------------------------------------------------------- Leave Link 202 at Fri Mar 29 12:55:31 2019, MaxMem= 33554432 cpu: 0.0 (Enter /share/apps/gaussian/g09d01/nehalem/g09/l301.exe) Standard basis: CC-pVQZ (5D, 7F) Ernie: Thresh= 0.10000D-02 Tol= 0.10000D-05 Strict=F. Ernie: 14 primitive shells out of 67 were deleted. AO basis set (Overlap normalization): Atom P1 Shell 1 S 11 bf 1 - 1 0.000000000000 0.000000000000 0.000000000000 0.6152000000D+06 0.2473994318D-04 0.9212000000D+05 0.1923907731D-03 0.2095000000D+05 0.1011599217D-02 0.5920000000D+04 0.4270806046D-02 0.1922000000D+04 0.1540920507D-01 0.6880000000D+03 0.4857297709D-01 0.2650000000D+03 0.1299736593D+00 0.1082000000D+03 0.2742302340D+00 0.4622000000D+02 0.3846149291D+00 0.2023000000D+02 0.2549007166D+00 0.7859000000D+01 0.4067571185D-01 Atom P1 Shell 2 S 9 bf 2 - 2 0.000000000000 0.000000000000 0.000000000000 0.5920000000D+04 -0.4010684848D-05 0.1922000000D+04 -0.9656776113D-04 0.6880000000D+03 -0.8454445823D-03 0.2650000000D+03 -0.6365377814D-02 0.1082000000D+03 -0.3316757972D-01 0.4622000000D+02 -0.1243565272D+00 0.2023000000D+02 -0.1842449784D+00 0.7859000000D+01 0.3131277732D+00 0.3547000000D+01 0.8648793888D+00 Atom P1 Shell 3 S 7 bf 3 - 3 0.000000000000 0.000000000000 0.000000000000 0.6880000000D+03 -0.4808451754D-04 0.1082000000D+03 -0.5532156487D-03 0.4622000000D+02 0.1276306969D-02 0.2023000000D+02 0.2559364523D-02 0.7859000000D+01 -0.6892250438D-02 0.3547000000D+01 -0.2578428363D+00 0.1564000000D+01 -0.7609847455D+00 Atom P1 Shell 4 S 1 bf 4 - 4 0.000000000000 0.000000000000 0.000000000000 0.4888000000D+00 0.1000000000D+01 Atom P1 Shell 5 S 1 bf 5 - 5 0.000000000000 0.000000000000 0.000000000000 0.2266000000D+00 0.1000000000D+01 Atom P1 Shell 6 S 1 bf 6 - 6 0.000000000000 0.000000000000 0.000000000000 0.9331000000D-01 0.1000000000D+01 Atom P1 Shell 7 P 7 bf 7 - 9 0.000000000000 0.000000000000 0.000000000000 0.1367000000D+04 0.4190111243D-03 0.3240000000D+03 0.3529071195D-02 0.1046000000D+03 0.1908256829D-01 0.3937000000D+02 0.7107705345D-01 0.1626000000D+02 0.2028507279D+00 0.7056000000D+01 0.3634806689D+00 0.3130000000D+01 0.4955614597D+00 Atom P1 Shell 8 P 7 bf 10 - 12 0.000000000000 0.000000000000 0.000000000000 0.1367000000D+04 -0.5697368158D-04 0.1046000000D+03 -0.4490956513D-02 0.3937000000D+02 -0.1614039451D-01 0.1626000000D+02 -0.1453020127D+00 0.7056000000D+01 -0.2486580254D+00 0.3130000000D+01 -0.9389917049D+00 0.1394000000D+01 0.1467238035D+01 Atom P1 Shell 9 P 1 bf 13 - 15 0.000000000000 0.000000000000 0.000000000000 0.5179000000D+00 0.1000000000D+01 Atom P1 Shell 10 P 1 bf 16 - 18 0.000000000000 0.000000000000 0.000000000000 0.2032000000D+00 0.1000000000D+01 Atom P1 Shell 11 P 1 bf 19 - 21 0.000000000000 0.000000000000 0.000000000000 0.7698000000D-01 0.1000000000D+01 Atom P1 Shell 12 D 1 bf 22 - 26 0.000000000000 0.000000000000 0.000000000000 0.1650000000D+00 0.1000000000D+01 Atom P1 Shell 13 D 1 bf 27 - 31 0.000000000000 0.000000000000 0.000000000000 0.4130000000D+00 0.1000000000D+01 Atom P1 Shell 14 D 1 bf 32 - 36 0.000000000000 0.000000000000 0.000000000000 0.1036000000D+01 0.1000000000D+01 Atom P1 Shell 15 F 1 bf 37 - 43 0.000000000000 0.000000000000 0.000000000000 0.2800000000D+00 0.1000000000D+01 Atom P1 Shell 16 F 1 bf 44 - 50 0.000000000000 0.000000000000 0.000000000000 0.7030000000D+00 0.1000000000D+01 Atom P1 Shell 17 G 1 bf 51 - 59 0.000000000000 0.000000000000 0.000000000000 0.5970000000D+00 0.1000000000D+01 There are 21 symmetry adapted cartesian basis functions of AG symmetry. There are 6 symmetry adapted cartesian basis functions of B1G symmetry. There are 6 symmetry adapted cartesian basis functions of B2G symmetry. There are 6 symmetry adapted cartesian basis functions of B3G symmetry. There are 2 symmetry adapted cartesian basis functions of AU symmetry. There are 11 symmetry adapted cartesian basis functions of B1U symmetry. There are 11 symmetry adapted cartesian basis functions of B2U symmetry. There are 11 symmetry adapted cartesian basis functions of B3U symmetry. There are 15 symmetry adapted basis functions of AG symmetry. There are 5 symmetry adapted basis functions of B1G symmetry. There are 5 symmetry adapted basis functions of B2G symmetry. There are 5 symmetry adapted basis functions of B3G symmetry. There are 2 symmetry adapted basis functions of AU symmetry. There are 9 symmetry adapted basis functions of B1U symmetry. There are 9 symmetry adapted basis functions of B2U symmetry. There are 9 symmetry adapted basis functions of B3U symmetry. 59 basis functions, 134 primitive gaussians, 74 cartesian basis functions 9 alpha electrons 6 beta electrons nuclear repulsion energy 0.0000000000 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= 0 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi= 4 NAtoms= 1 NActive= 1 NUniq= 1 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. Leave Link 301 at Fri Mar 29 12:55:32 2019, MaxMem= 33554432 cpu: 0.1 (Enter /share/apps/gaussian/g09d01/nehalem/g09/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= 59 RedAO= T EigKep= 2.47D-02 NBF= 15 5 5 5 2 9 9 9 NBsUse= 59 1.00D-06 EigRej= -1.00D+00 NBFU= 15 5 5 5 2 9 9 9 Leave Link 302 at Fri Mar 29 12:55:32 2019, MaxMem= 33554432 cpu: 0.2 (Enter /share/apps/gaussian/g09d01/nehalem/g09/l303.exe) DipDrv: MaxL=1. Leave Link 303 at Fri Mar 29 12:55:32 2019, MaxMem= 33554432 cpu: 0.1 (Enter /share/apps/gaussian/g09d01/nehalem/g09/l401.exe) ExpMin= 7.70D-02 ExpMax= 6.15D+05 ExpMxC= 1.92D+03 IAcc=2 IRadAn= 4 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 4 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 4 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. Harris En= -340.230669829922 JPrj=0 DoOrth=F DoCkMO=F. Initial guess orbital symmetries: Occupied (A1G) (A1G) (T1U) (T1U) (T1U) (A1G) (T1U) (T1U) (T1U) Virtual (A1G) (T1U) (T1U) (T1U) (T2G) (T2G) (T2G) (EG) (EG) (?A) (?A) (?A) (A2U) (?A) (?A) (?A) (T2G) (T2G) (T2G) (EG) (EG) (T1U) (T1U) (T1U) (A1G) (T2G) (T2G) (T2G) (EG) (EG) (A1G) (EG) (EG) (T2G) (T2G) (T2G) (T1G) (T1G) (T1G) (?A) (?A) (?A) (?A) (?A) (?A) (A2U) (T1U) (T1U) (T1U) (A1G) The electronic state of the initial guess is 4-A1G. Leave Link 401 at Fri Mar 29 12:55:32 2019, MaxMem= 33554432 cpu: 0.2 (Enter /share/apps/gaussian/g09d01/nehalem/g09/l502.exe) Restricted open shell SCF: Using DIIS extrapolation, IDIIS= 1040. Integral symmetry usage will be decided dynamically. Keep R1 and R2 ints in memory in symmetry-blocked form, NReq=6166229. IVT= 36771 IEndB= 36771 NGot= 33554432 MDV= 33102763 LenX= 33102763 LenY= 33096846 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. FoFCou: FMM=F IPFlag= 0 FMFlag= 0 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 600 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 1 NMatS0= 1770 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Cycle 1 Pass 1 IDiag 1: E= -340.696166945674 DIIS: error= 9.12D-02 at cycle 1 NSaved= 1. NSaved= 1 IEnMin= 1 EnMin= -340.696166945674 IErMin= 1 ErrMin= 9.12D-02 ErrMax= 9.12D-02 0.00D+00 EMaxC= 1.00D-01 BMatC= 1.18D-01 BMatP= 1.18D-01 IDIUse=3 WtCom= 8.84D-02 WtEn= 9.12D-01 Coeff-Com: 0.100D+01 Coeff-En: 0.100D+01 Coeff: 0.100D+01 Gap= 0.367 Goal= None Shift= 0.000 GapD= 0.367 DampG=1.000 DampE=0.500 DampFc=0.5000 IDamp=-1. Damping current iteration by 5.00D-01 RMSDP=3.61D-03 MaxDP=1.05D-01 OVMax= 7.79D-02 Cycle 2 Pass 1 IDiag 1: E= -340.706284120420 Delta-E= -0.010117174746 Rises=F Damp=T DIIS: error= 4.33D-02 at cycle 2 NSaved= 2. NSaved= 2 IEnMin= 2 EnMin= -340.706284120420 IErMin= 2 ErrMin= 4.33D-02 ErrMax= 4.33D-02 0.00D+00 EMaxC= 1.00D-01 BMatC= 2.64D-02 BMatP= 1.18D-01 IDIUse=3 WtCom= 5.67D-01 WtEn= 4.33D-01 Coeff-Com: -0.820D+00 0.182D+01 Coeff-En: 0.000D+00 0.100D+01 Coeff: -0.465D+00 0.147D+01 Gap= 0.359 Goal= None Shift= 0.000 RMSDP=1.14D-03 MaxDP=2.47D-02 DE=-1.01D-02 OVMax= 6.02D-02 Cycle 3 Pass 1 IDiag 1: E= -340.715604239830 Delta-E= -0.009320119410 Rises=F Damp=F DIIS: error= 7.14D-03 at cycle 3 NSaved= 3. NSaved= 3 IEnMin= 3 EnMin= -340.715604239830 IErMin= 3 ErrMin= 7.14D-03 ErrMax= 7.14D-03 0.00D+00 EMaxC= 1.00D-01 BMatC= 1.41D-03 BMatP= 2.64D-02 IDIUse=3 WtCom= 9.29D-01 WtEn= 7.14D-02 Coeff-Com: -0.352D+00 0.725D+00 0.627D+00 Coeff-En: 0.000D+00 0.000D+00 0.100D+01 Coeff: -0.327D+00 0.673D+00 0.653D+00 Gap= 0.364 Goal= None Shift= 0.000 RMSDP=1.29D-03 MaxDP=3.98D-02 DE=-9.32D-03 OVMax= 2.98D-02 Cycle 4 Pass 1 IDiag 1: E= -340.718077668989 Delta-E= -0.002473429159 Rises=F Damp=F DIIS: error= 2.40D-03 at cycle 4 NSaved= 4. NSaved= 4 IEnMin= 4 EnMin= -340.718077668989 IErMin= 4 ErrMin= 2.40D-03 ErrMax= 2.40D-03 0.00D+00 EMaxC= 1.00D-01 BMatC= 1.24D-04 BMatP= 1.41D-03 IDIUse=3 WtCom= 9.76D-01 WtEn= 2.40D-02 Coeff-Com: 0.376D-01-0.793D-01-0.468D+00 0.151D+01 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.100D+01 Coeff: 0.367D-01-0.774D-01-0.456D+00 0.150D+01 Gap= 0.365 Goal= None Shift= 0.000 RMSDP=6.95D-04 MaxDP=2.23D-02 DE=-2.47D-03 OVMax= 1.48D-02 Cycle 5 Pass 1 IDiag 1: E= -340.718330027689 Delta-E= -0.000252358700 Rises=F Damp=F DIIS: error= 3.51D-04 at cycle 5 NSaved= 5. NSaved= 5 IEnMin= 5 EnMin= -340.718330027689 IErMin= 5 ErrMin= 3.51D-04 ErrMax= 3.51D-04 0.00D+00 EMaxC= 1.00D-01 BMatC= 2.82D-06 BMatP= 1.24D-04 IDIUse=3 WtCom= 9.96D-01 WtEn= 3.51D-03 Coeff-Com: -0.128D-01 0.250D-01 0.747D-01-0.621D-01 0.975D+00 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.100D+01 Coeff: -0.128D-01 0.249D-01 0.745D-01-0.618D-01 0.975D+00 Gap= 0.365 Goal= None Shift= 0.000 RMSDP=1.12D-04 MaxDP=3.83D-03 DE=-2.52D-04 OVMax= 2.21D-03 Cycle 6 Pass 1 IDiag 1: E= -340.718334118043 Delta-E= -0.000004090354 Rises=F Damp=F DIIS: error= 9.66D-05 at cycle 6 NSaved= 6. NSaved= 6 IEnMin= 6 EnMin= -340.718334118043 IErMin= 6 ErrMin= 9.66D-05 ErrMax= 9.66D-05 0.00D+00 EMaxC= 1.00D-01 BMatC= 2.56D-07 BMatP= 2.82D-06 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.918D-03-0.132D-02-0.564D-02-0.473D-01-0.841D-01 0.114D+01 Coeff: 0.918D-03-0.132D-02-0.564D-02-0.473D-01-0.841D-01 0.114D+01 Gap= 0.365 Goal= None Shift= 0.000 RMSDP=2.94D-05 MaxDP=9.04D-04 DE=-4.09D-06 OVMax= 6.34D-04 Cycle 7 Pass 1 IDiag 1: E= -340.718334670027 Delta-E= -0.000000551984 Rises=F Damp=F DIIS: error= 6.20D-06 at cycle 7 NSaved= 7. NSaved= 7 IEnMin= 7 EnMin= -340.718334670027 IErMin= 7 ErrMin= 6.20D-06 ErrMax= 6.20D-06 0.00D+00 EMaxC= 1.00D-01 BMatC= 7.14D-10 BMatP= 2.56D-07 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.514D-04 0.844D-04-0.480D-04 0.347D-02-0.611D-02-0.323D-01 Coeff-Com: 0.103D+01 Coeff: -0.514D-04 0.844D-04-0.480D-04 0.347D-02-0.611D-02-0.323D-01 Coeff: 0.103D+01 Gap= 0.365 Goal= None Shift= 0.000 RMSDP=1.63D-06 MaxDP=5.32D-05 DE=-5.52D-07 OVMax= 3.17D-05 Cycle 8 Pass 1 IDiag 1: E= -340.718334671361 Delta-E= -0.000000001335 Rises=F Damp=F DIIS: error= 3.25D-07 at cycle 8 NSaved= 8. NSaved= 8 IEnMin= 8 EnMin= -340.718334671361 IErMin= 8 ErrMin= 3.25D-07 ErrMax= 3.25D-07 0.00D+00 EMaxC= 1.00D-01 BMatC= 2.91D-12 BMatP= 7.14D-10 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.216D-05 0.637D-05 0.212D-04-0.512D-03 0.116D-02 0.148D-02 Coeff-Com: -0.155D+00 0.115D+01 Coeff: -0.216D-05 0.637D-05 0.212D-04-0.512D-03 0.116D-02 0.148D-02 Coeff: -0.155D+00 0.115D+01 Gap= 0.365 Goal= None Shift= 0.000 RMSDP=9.57D-08 MaxDP=2.71D-06 DE=-1.33D-09 OVMax= 1.90D-06 Cycle 9 Pass 1 IDiag 1: E= -340.718334671367 Delta-E= -0.000000000006 Rises=F Damp=F DIIS: error= 2.20D-08 at cycle 9 NSaved= 9. NSaved= 9 IEnMin= 9 EnMin= -340.718334671367 IErMin= 9 ErrMin= 2.20D-08 ErrMax= 2.20D-08 0.00D+00 EMaxC= 1.00D-01 BMatC= 1.20D-14 BMatP= 2.91D-12 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.777D-07-0.113D-06-0.195D-05-0.424D-05-0.287D-05 0.314D-04 Coeff-Com: 0.879D-04-0.791D-02 0.101D+01 Coeff: 0.777D-07-0.113D-06-0.195D-05-0.424D-05-0.287D-05 0.314D-04 Coeff: 0.879D-04-0.791D-02 0.101D+01 Gap= 0.365 Goal= None Shift= 0.000 RMSDP=6.06D-09 MaxDP=1.94D-07 DE=-5.97D-12 OVMax= 1.34D-07 SCF Done: E(ROHF) = -340.718334671 A.U. after 9 cycles NFock= 9 Conv=0.61D-08 -V/T= 2.0000 = 0.0000 = 0.0000 = 1.5000 = 3.7500 S= 1.5000 = 0.000000000000E+00 KE= 3.407187475864D+02 PE=-8.122223465114D+02 EE= 1.307852642536D+02 Annihilation of the first spin contaminant: S**2 before annihilation 3.7500, after 3.7500 Leave Link 502 at Fri Mar 29 12:55:34 2019, MaxMem= 33554432 cpu: 1.5 (Enter /share/apps/gaussian/g09d01/nehalem/g09/l801.exe) Windowed orbitals will be sorted by symmetry type. GenMOA: NOpAll= 48 NOp2=8 NOpUse= 48 JSym2X=1 FoFJK: IHMeth= 1 ICntrl= 0 DoSepK=F KAlg= 0 I1Cent= 0 FoldK=F IRaf= 0 NMat= 1 IRICut= 1 DoRegI=T DoRafI=F ISym2E= 1. FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 0 IOpCl= 1 I1Cent= 0 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. = 0.0000 = 0.0000 = 1.5000 = 3.7500 S= 1.5000 ExpMin= 7.70D-02 ExpMax= 6.15D+05 ExpMxC= 1.92D+03 IAcc=3 IRadAn= 5 AccDes= 0.00D+00 HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 5 IDoV=-2 UseB2=F ITyADJ=14 ICtDFT= 12500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 Largest valence mixing into a core orbital is 4.85D-04 Largest core mixing into a valence orbital is 1.91D-04 Largest valence mixing into a core orbital is 5.70D-04 Largest core mixing into a valence orbital is 2.77D-04 Range of M.O.s used for correlation: 6 59 NBasis= 59 NAE= 9 NBE= 6 NFC= 5 NFV= 0 NROrb= 54 NOA= 4 NOB= 1 NVA= 50 NVB= 53 Singles contribution to E2= -0.2438567493D-03 Leave Link 801 at Fri Mar 29 12:55:35 2019, MaxMem= 33554432 cpu: 1.0 (Enter /share/apps/gaussian/g09d01/nehalem/g09/l804.exe) Open-shell transformation, MDV= 33554432 ITran=4 ISComp=2. Semi-Direct transformation. ModeAB= 2 MOrb= 4 LenV= 33193263 LASXX= 37381 LTotXX= 37381 LenRXX= 37381 LTotAB= 40301 MaxLAS= 599400 LenRXY= 599400 NonZer= 654480 LenScr= 1441792 LnRSAI= 0 LnScr1= 0 LExtra= 0 Total= 2078573 MaxDsk= -1 SrtSym= F ITran= 4 DoSDTr: NPSUse= 1 JobTyp=1 Pass 1: I= 1 to 4. (rs|ai) integrals will be sorted in core. Complete sort for first half transformation. First half transformation complete. Complete sort for second half transformation. Second half transformation complete. ModeAB= 2 MOrb= 1 LenV= 33193263 LASXX= 9814 LTotXX= 9814 LenRXX= 149850 LTotAB= 9144 MaxLAS= 149850 LenRXY= 9144 NonZer= 163620 LenScr= 720896 LnRSAI= 0 LnScr1= 0 LExtra= 0 Total= 879890 MaxDsk= -1 SrtSym= F ITran= 4 DoSDTr: NPSUse= 1 JobTyp=2 Pass 1: I= 1 to 1. (rs|ai) integrals will be sorted in core. Complete sort for first half transformation. First half transformation complete. Complete sort for second half transformation. Second half transformation complete. Spin components of T(2) and E(2): alpha-alpha T2 = 0.1216717760D-01 E2= -0.2368890255D-01 alpha-beta T2 = 0.3266829425D-01 E2= -0.6525564083D-01 beta-beta T2 = 0.0000000000D+00 E2= 0.0000000000D+00 ANorm= 0.1022253891D+01 E2 = -0.8918840013D-01 EUMP2 = -0.34080752307150D+03 (S**2,0)= 0.37500D+01 (S**2,1)= 0.37500D+01 E(PUHF)= -0.34071833467D+03 E(PMP2)= -0.34080752307D+03 Leave Link 804 at Fri Mar 29 12:55:39 2019, MaxMem= 33554432 cpu: 3.8 (Enter /share/apps/gaussian/g09d01/nehalem/g09/l913.exe) CIDS: MDV= 33554432. Frozen-core window: NFC= 5 NFV= 0. IFCWin=0 IBDFC=1 NFBD= 0 0 NFCmp= 0 0 NFFFC= 0 0 Using original routines for 1st iteration, S=T. Using DD4UQ or CC4UQ for 2nd and later iterations. Keep R2 and R3 ints in memory in symmetry-blocked form, NReq=6087891. FoFCou: FMM=F IPFlag= 0 FMFlag= 0 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 600 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 1 NMatS0= 1770 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. CCSD(T) ======= Iterations= 50 Convergence= 0.100D-06 Iteration Nr. 1 ********************** DD1Dir will call FoFMem 1 times, MxPair= 14 NAB= 4 NAA= 6 NBB= 0. DD1Dir will call FoFMem 1 times, MxPair= 14 NAB= 4 NAA= 6 NBB= 0. MP4(R+Q)= 0.18323245D-01 Maximum subspace dimension= 5 Norm of the A-vectors is 2.3222163D-02 conv= 1.00D-05. RLE energy= -0.0861913899 E3= -0.15228758D-01 EROMP3= -0.34082275183D+03 E4(SDQ)= -0.11338367D-02 ROMP4(SDQ)= -0.34082388567D+03 VARIATIONAL ENERGIES WITH THE FIRST-ORDER WAVEFUNCTION: DE(Corr)= -0.86087126E-01 E(Corr)= -340.80442180 NORM(A)= 0.10205685D+01 Iteration Nr. 2 ********************** DD1Dir will call FoFMem 1 times, MxPair= 14 NAB= 4 NAA= 6 NBB= 0. Norm of the A-vectors is 1.2690046D-01 conv= 1.00D-05. RLE energy= -0.0887224856 DE(Corr)= -0.10091791 E(CORR)= -340.81925258 Delta=-1.48D-02 NORM(A)= 0.10219976D+01 Iteration Nr. 3 ********************** DD1Dir will call FoFMem 1 times, MxPair= 14 NAB= 4 NAA= 6 NBB= 0. Norm of the A-vectors is 1.1014499D-01 conv= 1.00D-05. RLE energy= -0.1001189423 DE(Corr)= -0.10143259 E(CORR)= -340.81976726 Delta=-5.15D-04 NORM(A)= 0.10295258D+01 Iteration Nr. 4 ********************** DD1Dir will call FoFMem 1 times, MxPair= 14 NAB= 4 NAA= 6 NBB= 0. Norm of the A-vectors is 3.2972781D-02 conv= 1.00D-05. RLE energy= -0.1025046887 DE(Corr)= -0.10391645 E(CORR)= -340.82225112 Delta=-2.48D-03 NORM(A)= 0.10313797D+01 Iteration Nr. 5 ********************** DD1Dir will call FoFMem 1 times, MxPair= 14 NAB= 4 NAA= 6 NBB= 0. Norm of the A-vectors is 1.6771900D-02 conv= 1.00D-05. RLE energy= -0.1048290894 DE(Corr)= -0.10446074 E(CORR)= -340.82279541 Delta=-5.44D-04 NORM(A)= 0.10331965D+01 Iteration Nr. 6 ********************** DD1Dir will call FoFMem 1 times, MxPair= 14 NAB= 4 NAA= 6 NBB= 0. Norm of the A-vectors is 1.0579475D-03 conv= 1.00D-05. RLE energy= -0.1049776812 DE(Corr)= -0.10494950 E(CORR)= -340.82328418 Delta=-4.89D-04 NORM(A)= 0.10333146D+01 Iteration Nr. 7 ********************** DD1Dir will call FoFMem 1 times, MxPair= 14 NAB= 4 NAA= 6 NBB= 0. Norm of the A-vectors is 4.4389923D-05 conv= 1.00D-05. RLE energy= -0.1049813878 DE(Corr)= -0.10498064 E(CORR)= -340.82331531 Delta=-3.11D-05 NORM(A)= 0.10333173D+01 Iteration Nr. 8 ********************** DD1Dir will call FoFMem 1 times, MxPair= 14 NAB= 4 NAA= 6 NBB= 0. Norm of the A-vectors is 1.2128143D-05 conv= 1.00D-05. RLE energy= -0.1049812425 DE(Corr)= -0.10498129 E(CORR)= -340.82331596 Delta=-6.51D-07 NORM(A)= 0.10333173D+01 Iteration Nr. 9 ********************** DD1Dir will call FoFMem 1 times, MxPair= 14 NAB= 4 NAA= 6 NBB= 0. Norm of the A-vectors is 4.2815809D-06 conv= 1.00D-05. RLE energy= -0.1049813383 DE(Corr)= -0.10498131 E(CORR)= -340.82331598 Delta=-2.10D-08 NORM(A)= 0.10333173D+01 CI/CC converged in 9 iterations to DelEn=-2.10D-08 Conv= 1.00D-07 ErrA1= 4.28D-06 Conv= 1.00D-05 Largest amplitude= 5.51D-02 Time for triples= 5.28 seconds. T4(CCSD)= -0.45362855D-02 T5(CCSD)= 0.39222763D-05 CCSD(T)= -0.34082784835D+03 Discarding MO integrals. Leave Link 913 at Fri Mar 29 12:57:20 2019, MaxMem= 33554432 cpu: 8.4 (Enter /share/apps/gaussian/g09d01/nehalem/g09/l601.exe) Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=1. ********************************************************************** Population analysis using the SCF density. ********************************************************************** Orbital symmetries: Occupied (A1G) (A1G) (T1U) (T1U) (T1U) (A1G) (T1U) (T1U) (T1U) Virtual (A1G) (T1U) (T1U) (T1U) (EG) (T2G) (T2G) (T2G) (EG) (?A) (?A) (?A) (A2U) (?A) (?A) (?A) (T2G) (EG) (T2G) (T2G) (EG) (T1U) (T1U) (T1U) (A1G) (T2G) (T2G) (T2G) (?B) (?B) (?B) (?B) (?B) (?B) (?A) (?A) (?A) (?A) (A2U) (?A) (?A) (EG) (T2G) (T2G) (EG) (T2G) (T1U) (T1U) (T1U) (A1G) The electronic state is 4-A1G. Alpha occ. eigenvalues -- -79.97894 -7.52157 -5.41971 -5.41971 -5.41971 Alpha occ. eigenvalues -- -0.83509 -0.39162 -0.39162 -0.39162 Alpha virt. eigenvalues -- 0.24550 0.25894 0.25894 0.25894 0.31642 Alpha virt. eigenvalues -- 0.31642 0.31642 0.31642 0.31642 1.00452 Alpha virt. eigenvalues -- 1.00452 1.00452 1.00452 1.00452 1.00452 Alpha virt. eigenvalues -- 1.00452 1.05785 1.05785 1.05785 1.05785 Alpha virt. eigenvalues -- 1.05785 1.25709 1.25709 1.25709 1.50300 Alpha virt. eigenvalues -- 2.82130 2.82130 2.82130 2.82130 2.82130 Alpha virt. eigenvalues -- 2.82130 2.82130 2.82130 2.82130 2.86236 Alpha virt. eigenvalues -- 2.86236 2.86236 2.86236 2.86236 2.86236 Alpha virt. eigenvalues -- 2.86236 2.87825 2.87825 2.87825 2.87825 Alpha virt. eigenvalues -- 2.87825 5.48628 5.48628 5.48628 12.32378 Molecular Orbital Coefficients: 1 2 3 4 5 (A1G)--O (A1G)--O (T1U)--O (T1U)--O (T1U)--O Eigenvalues -- -79.97894 -7.52157 -5.41971 -5.41971 -5.41971 1 1 P 1S 1.00042 0.27221 0.00000 0.00000 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0.00000 57 17G-3 0.00000 0.00000 58 17G+4 0.00000 0.00000 0.00000 59 17G-4 0.00000 0.00000 0.00000 0.00000 Gross orbital populations: Total Alpha Beta Spin 1 1 P 1S 1.99934 0.99967 0.99967 0.00000 2 2S 0.96526 0.48263 0.48263 0.00000 3 3S 0.97113 0.48557 0.48557 0.00000 4 4S 0.38365 0.19182 0.19182 0.00000 5 5S 1.16033 0.58017 0.58017 0.00000 6 6S 0.52029 0.26015 0.26015 0.00000 7 7PX 2.04424 1.03181 1.01243 0.01937 8 7PY 2.04424 1.03181 1.01243 0.01937 9 7PZ 2.04424 1.03181 1.01243 0.01937 10 8PX -0.04584 -0.02571 -0.02014 -0.00557 11 8PY -0.04584 -0.02571 -0.02014 -0.00557 12 8PZ -0.04584 -0.02571 -0.02014 -0.00557 13 9PX 0.26290 0.25499 0.00791 0.24708 14 9PY 0.26290 0.25499 0.00791 0.24708 15 9PZ 0.26290 0.25499 0.00791 0.24708 16 10PX 0.52680 0.52703 -0.00023 0.52726 17 10PY 0.52680 0.52703 -0.00023 0.52726 18 10PZ 0.52680 0.52703 -0.00023 0.52726 19 11PX 0.21191 0.21188 0.00003 0.21185 20 11PY 0.21191 0.21188 0.00003 0.21185 21 11PZ 0.21191 0.21188 0.00003 0.21185 22 12D 0 0.00000 0.00000 0.00000 0.00000 23 12D+1 0.00000 0.00000 0.00000 0.00000 24 12D-1 0.00000 0.00000 0.00000 0.00000 25 12D+2 0.00000 0.00000 0.00000 0.00000 26 12D-2 0.00000 0.00000 0.00000 0.00000 27 13D 0 0.00000 0.00000 0.00000 0.00000 28 13D+1 0.00000 0.00000 0.00000 0.00000 29 13D-1 0.00000 0.00000 0.00000 0.00000 30 13D+2 0.00000 0.00000 0.00000 0.00000 31 13D-2 0.00000 0.00000 0.00000 0.00000 32 14D 0 0.00000 0.00000 0.00000 0.00000 33 14D+1 0.00000 0.00000 0.00000 0.00000 34 14D-1 0.00000 0.00000 0.00000 0.00000 35 14D+2 0.00000 0.00000 0.00000 0.00000 36 14D-2 0.00000 0.00000 0.00000 0.00000 37 15F 0 0.00000 0.00000 0.00000 0.00000 38 15F+1 0.00000 0.00000 0.00000 0.00000 39 15F-1 0.00000 0.00000 0.00000 0.00000 40 15F+2 0.00000 0.00000 0.00000 0.00000 41 15F-2 0.00000 0.00000 0.00000 0.00000 42 15F+3 0.00000 0.00000 0.00000 0.00000 43 15F-3 0.00000 0.00000 0.00000 0.00000 44 16F 0 0.00000 0.00000 0.00000 0.00000 45 16F+1 0.00000 0.00000 0.00000 0.00000 46 16F-1 0.00000 0.00000 0.00000 0.00000 47 16F+2 0.00000 0.00000 0.00000 0.00000 48 16F-2 0.00000 0.00000 0.00000 0.00000 49 16F+3 0.00000 0.00000 0.00000 0.00000 50 16F-3 0.00000 0.00000 0.00000 0.00000 51 17G 0 0.00000 0.00000 0.00000 0.00000 52 17G+1 0.00000 0.00000 0.00000 0.00000 53 17G-1 0.00000 0.00000 0.00000 0.00000 54 17G+2 0.00000 0.00000 0.00000 0.00000 55 17G-2 0.00000 0.00000 0.00000 0.00000 56 17G+3 0.00000 0.00000 0.00000 0.00000 57 17G-3 0.00000 0.00000 0.00000 0.00000 58 17G+4 0.00000 0.00000 0.00000 0.00000 59 17G-4 0.00000 0.00000 0.00000 0.00000 Condensed to atoms (all electrons): 1 1 P 15.000000 Atomic-Atomic Spin Densities. 1 1 P 3.000000 Mulliken charges and spin densities: 1 2 1 P 0.000000 3.000000 Sum of Mulliken charges = 0.00000 3.00000 Mulliken charges and spin densities with hydrogens summed into heavy atoms: 1 2 1 P 0.000000 3.000000 Electronic spatial extent (au): = 30.2467 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= -13.5610 YY= -13.5610 ZZ= -13.5610 XY= 0.0000 XZ= 0.0000 YZ= 0.0000 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= 0.0000 YY= 0.0000 ZZ= 0.0000 XY= 0.0000 XZ= 0.0000 YZ= 0.0000 Octapole moment (field-independent basis, Debye-Ang**2): XXX= 0.0000 YYY= 0.0000 ZZZ= 0.0000 XYY= 0.0000 XXY= 0.0000 XXZ= 0.0000 XZZ= 0.0000 YZZ= 0.0000 YYZ= 0.0000 XYZ= 0.0000 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -21.6980 YYYY= -21.6980 ZZZZ= -21.6980 XXXY= 0.0000 XXXZ= 0.0000 YYYX= 0.0000 YYYZ= 0.0000 ZZZX= 0.0000 ZZZY= 0.0000 XXYY= -7.2327 XXZZ= -7.2327 YYZZ= -7.2327 XXYZ= 0.0000 YYXZ= 0.0000 ZZXY= 0.0000 N-N= 0.000000000000D+00 E-N=-8.122223476430D+02 KE= 3.407187475864D+02 Symmetry AG KE= 2.479593765200D+02 Symmetry B1G KE= 2.038781198983D-60 Symmetry B2G KE= 2.029722848819D-60 Symmetry B3G KE= 2.179754171373D-60 Symmetry AU KE= 5.091588246216D-60 Symmetry B1U KE= 3.091979035545D+01 Symmetry B2U KE= 3.091979035545D+01 Symmetry B3U KE= 3.091979035545D+01 Orbital energies and kinetic energies (alpha): 1 2 1 (A1G)--O -79.978942 106.218303 2 (A1G)--O -7.521568 15.875893 3 (T1U)--O -5.419711 14.777738 4 (T1U)--O -5.419711 14.777738 5 (T1U)--O -5.419711 14.777738 6 (A1G)--O -0.835086 1.885492 7 (T1U)--O -0.391616 1.364314 8 (T1U)--O -0.391616 1.364314 9 (T1U)--O -0.391616 1.364314 10 (A1G)--V 0.245504 0.857733 11 (T1U)--V 0.258940 0.667979 12 (T1U)--V 0.258940 0.667979 13 (T1U)--V 0.258940 0.667979 14 (EG)--V 0.316424 0.627794 15 (T2G)--V 0.316424 0.627794 16 (T2G)--V 0.316424 0.627794 17 (T2G)--V 0.316424 0.627794 18 (EG)--V 0.316424 0.627794 19 V 1.004518 1.196559 20 V 1.004518 1.196559 21 V 1.004518 1.196559 22 (A2U)--V 1.004518 1.196559 23 V 1.004518 1.196559 24 V 1.004518 1.196559 25 V 1.004518 1.196559 26 (T2G)--V 1.057850 1.867740 27 (EG)--V 1.057850 1.867740 28 (T2G)--V 1.057850 1.867740 29 (T2G)--V 1.057850 1.867740 30 (EG)--V 1.057850 1.867740 31 (T1U)--V 1.257093 3.662265 32 (T1U)--V 1.257093 3.662265 33 (T1U)--V 1.257093 3.662265 34 (A1G)--V 1.503005 5.051951 35 (T2G)--V 2.821302 3.283500 36 (T2G)--V 2.821302 3.283500 37 (T2G)--V 2.821302 3.283500 38 V 2.821302 3.283500 39 V 2.821302 3.283500 40 V 2.821302 3.283500 41 V 2.821302 3.283500 42 V 2.821302 3.283500 43 V 2.821302 3.283500 44 V 2.862364 3.768301 45 V 2.862364 3.768301 46 V 2.862364 3.768301 47 V 2.862364 3.768301 48 (A2U)--V 2.862364 3.768301 49 V 2.862364 3.768301 50 V 2.862364 3.768301 51 (EG)--V 2.878252 4.737175 52 (T2G)--V 2.878252 4.737175 53 (T2G)--V 2.878252 4.737175 54 (EG)--V 2.878252 4.737175 55 (T2G)--V 2.878252 4.737175 56 (T1U)--V 5.486282 9.031471 57 (T1U)--V 5.486282 9.031471 58 (T1U)--V 5.486282 9.031471 59 (A1G)--V 12.323776 22.395072 Total kinetic energy from orbitals= 3.448116887262D+02 Isotropic Fermi Contact Couplings Atom a.u. MegaHertz Gauss 10(-4) cm-1 1 P(31) 0.00000 0.00000 0.00000 0.00000 -------------------------------------------------------- Center ---- Spin Dipole Couplings ---- 3XX-RR 3YY-RR 3ZZ-RR -------------------------------------------------------- 1 Atom 0.000000 0.000000 0.000000 -------------------------------------------------------- XY XZ YZ -------------------------------------------------------- 1 Atom 0.000000 0.000000 0.000000 -------------------------------------------------------- --------------------------------------------------------------------------------- Anisotropic Spin Dipole Couplings in Principal Axis System --------------------------------------------------------------------------------- Atom a.u. MegaHertz Gauss 10(-4) cm-1 Axes Baa 0.0000 0.000 0.000 0.000 1.0000 0.0000 0.0000 1 P(31) Bbb 0.0000 0.000 0.000 0.000 0.0000 0.0000 1.0000 Bcc 0.0000 0.000 0.000 0.000 0.0000 1.0000 0.0000 --------------------------------------------------------------------------------- No NMR shielding tensors so no spin-rotation constants. Leave Link 601 at Fri Mar 29 12:57:21 2019, MaxMem= 33554432 cpu: 0.3 (Enter /share/apps/gaussian/g09d01/nehalem/g09/l9999.exe) 1\1\GINC-COMPUTE-40-2\SP\ROCCSD(T)-FC\CC-pVQZ\P1(4)\LOOS\29-Mar-2019\0 \\#p ROCCSD(T) cc-pVQZ pop=full gfprint\\G2\\0,4\P\\Version=ES64L-G09R evD.01\State=4-A1G\HF=-340.7183347\MP2=-340.8075231\MP3=-340.8227518\P UHF=-340.7183347\PMP2-0=-340.8075231\MP4SDQ=-340.8238857\CCSD=-340.823 316\CCSD(T)=-340.8278483\RMSD=6.057e-09\PG=OH [O(P1)]\\@ LOVE IS BLIND, THAT'S WHY ALL THE WORLD LOVES A LOUVER. Job cpu time: 0 days 0 hours 0 minutes 16.0 seconds. File lengths (MBytes): RWF= 58 Int= 0 D2E= 0 Chk= 2 Scr= 1 Normal termination of Gaussian 09 at Fri Mar 29 12:57:21 2019.