 Entering Gaussian System, Link 0=g16
 Input=/home/dell/xyc/gaussian/zn-otf/F-.gjf
 Output=/home/dell/xyc/gaussian/zn-otf/F-.log
 Initial command:
 /home/dell/gs16/g16/l1.exe "/home/dell/gs16/g16/scratch/Gau-37062.inp" -scrdir="/home/dell/gs16/g16/scratch/"
 Entering Link 1 = /home/dell/gs16/g16/l1.exe PID=     37064.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 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 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                16-Dec-2025 
 ******************************************
 %nprocshared=48
 Will use up to   48 processors via shared memory.
 %mem=100GB
 %chk=F-.chk
 ----------------------------------------------------------------------
 #p opt=cartesian freq ub3lyp/6-31+g(d) scrf=(smd,solvent=water) guess=
 mix
 ----------------------------------------------------------------------
 1/10=7,18=10,26=3,38=1/1,3;
 2/12=2,17=6,18=5,29=2,40=1/2;
 3/5=1,6=6,7=11,11=2,25=1,30=1,70=32201,71=1,72=1,74=-5,116=2/1,2,3;
 4/13=-1/1;
 5/5=2,38=5,53=1/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/7=1,29=1/1,2,3,16;
 1/10=7,18=10,26=3/3(2);
 2/29=1/2;
 99/12=1/99;
 2/29=1/2;
 3/5=1,6=6,7=11,11=2,25=1,30=1,70=32205,71=1,72=1,74=-5,116=2/1,2,3;
 4/5=5,16=3,69=1/1;
 5/5=2,38=5,53=1/2;
 7/7=1/1,2,3,16;
 1/18=10,26=3/3(-5);
 2/29=1/2;
 6/7=2,8=2,9=2,10=2,19=2,28=1/1;
 99/9=1,12=1/99;
 Leave Link    1 at Tue Dec 16 22:37:03 2025, MaxMem= 13421772800 cpu:               2.5 elap:               0.1
 (Enter /home/dell/gs16/g16/l101.exe)
 ----------
 "Sketch 9"
 ----------
 Symbolic Z-matrix:
 Charge = -1 Multiplicity = 1
 F                     2.07265   1.48429  -0.71389 
 
 ITRead=  0
 MicOpt= -1
 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=          19
 AtmWgt=  18.9984032
 NucSpn=           1
 AtZEff=  -0.0000000
 NQMom=    0.0000000
 NMagM=    2.6288670
 AtZNuc=   9.0000000
 Leave Link  101 at Tue Dec 16 22:37:03 2025, MaxMem= 13421772800 cpu:               1.1 elap:               0.0
 (Enter /home/dell/gs16/g16/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Initialization pass.
 No Z-matrix variables, so optimization will use Cartesian coordinates.
 Trust Radius=3.00D-01 FncErr=1.00D-07 GrdErr=1.00D-06 EigMax=2.50D+02 EigMin=1.00D-04
 Number of steps in this run=     20 maximum allowed number of steps=    100.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Tue Dec 16 22:37:03 2025, MaxMem= 13421772800 cpu:               0.3 elap:               0.0
 (Enter /home/dell/gs16/g16/l202.exe)
 ---------------------------------------------------------------------------------------------------
                            Z-MATRIX (ANGSTROMS AND DEGREES)
   CD    Cent   Atom    N1       Length/X        N2       Alpha/Y        N3        Beta/Z          J
 ---------------------------------------------------------------------------------------------------
      1      1  F        0   2.072650          1.484290         -0.713887
 ---------------------------------------------------------------------------------------------------
                         Z-Matrix orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          9           0        2.072650    1.484290   -0.713887
 ---------------------------------------------------------------------
 Stoichiometry    F(1-)
 Framework group  OH[O(F)]
 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          9           0        0.000000    0.000000    0.000000
 ---------------------------------------------------------------------
 Leave Link  202 at Tue Dec 16 22:37:04 2025, MaxMem= 13421772800 cpu:               1.1 elap:               0.0
 (Enter /home/dell/gs16/g16/l301.exe)
 Standard basis: 6-31+G(d) (6D, 7F)
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are     7 symmetry adapted cartesian basis functions of AG  symmetry.
 There are     1 symmetry adapted cartesian basis functions of B1G symmetry.
 There are     1 symmetry adapted cartesian basis functions of B2G symmetry.
 There are     1 symmetry adapted cartesian basis functions of B3G symmetry.
 There are     0 symmetry adapted cartesian basis functions of AU  symmetry.
 There are     3 symmetry adapted cartesian basis functions of B1U symmetry.
 There are     3 symmetry adapted cartesian basis functions of B2U symmetry.
 There are     3 symmetry adapted cartesian basis functions of B3U symmetry.
 There are     7 symmetry adapted basis functions of AG  symmetry.
 There are     1 symmetry adapted basis functions of B1G symmetry.
 There are     1 symmetry adapted basis functions of B2G symmetry.
 There are     1 symmetry adapted basis functions of B3G symmetry.
 There are     0 symmetry adapted basis functions of AU  symmetry.
 There are     3 symmetry adapted basis functions of B1U symmetry.
 There are     3 symmetry adapted basis functions of B2U symmetry.
 There are     3 symmetry adapted basis functions of B3U symmetry.
    19 basis functions,    32 primitive gaussians,    19 cartesian basis functions
     5 alpha electrons        5 beta electrons
       nuclear repulsion energy         0.0000000000 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 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.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : PCM.
 Atomic radii         : SMD-Coulomb.
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : VdW (van der Waals Surface) (Alpha=1.000).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=    1.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: York/Karplus (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 1st derivatives      : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3).
                        Cavity 1st derivative terms included.
 Solvent              : Water, Eps=  78.355300 Eps(inf)=   1.777849
 ------------------------------------------------------------------------------
 Spheres list:
 ISph  on   Nord     Re0    Alpha      Xe            Ye            Ze
    1   F      1    1.7300  1.000      0.000000      0.000000      0.000000
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =       1
 GePol: Total number of spheres                      =       1
 GePol: Number of exposed spheres                    =       1 (100.00%)
 GePol: Number of points                             =     194
 GePol: Average weight of points                     =       0.19
 GePol: Minimum weight of points                     =   0.67D-01
 GePol: Maximum weight of points                     =    0.21501
 GePol: Number of points with low weight             =       0
 GePol: Fraction of low-weight points (<1% of avg)   =       0.00%
 GePol: Cavity surface area                          =     37.610 Ang**2
 GePol: Cavity volume                                =     21.688 Ang**3
 ------------------------------------------------------------------------------
 Atomic radii for non-electrostatic terms: SMD-CDS.
 ------------------------------------------------------------------------------
 PCM non-electrostatic energy =         0.0026736756 Hartrees.
 Nuclear repulsion after PCM non-electrostatic terms =        0.0026736756 Hartrees.
 Leave Link  301 at Tue Dec 16 22:37:04 2025, MaxMem= 13421772800 cpu:               1.8 elap:               0.1
 (Enter /home/dell/gs16/g16/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.
 One-electron integral symmetry used in STVInt
 NBasis=    19 RedAO= T EigKep=  7.51D-03  NBF=     7     1     1     1     0     3     3     3
 NBsUse=    19 1.00D-06 EigRej= -1.00D+00 NBFU=     7     1     1     1     0     3     3     3
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=    19    19    19    19    19 MxSgAt=     1 MxSgA2=     1.
 Leave Link  302 at Tue Dec 16 22:37:04 2025, MaxMem= 13421772800 cpu:               3.7 elap:               0.1
 (Enter /home/dell/gs16/g16/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Tue Dec 16 22:37:04 2025, MaxMem= 13421772800 cpu:               0.5 elap:               0.0
 (Enter /home/dell/gs16/g16/l401.exe)
 ExpMin= 1.08D-01 ExpMax= 7.00D+03 ExpMxC= 1.05D+03 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.
 Harris En= -100.075081127081    
 JPrj=0 DoOrth=F DoCkMO=T.
 Mixing orbitals, IMix= 1 IMixAn=  0 NRI=1 NE=    5 Coef=  7.07106781D-01  7.07106781D-01
 Mixing orbitals, IMix= 1 IMixAn=  0 NRI=1 NE=    5 Coef= -7.07106781D-01  7.07106781D-01
 Initial guess orbital symmetries:
 Alpha Orbitals:
       Occupied  (A1G) (A1G) (?A) (?A) (?A)
       Virtual   (?A) (T1U) (T1U) (T1U) (T1U) (T1U) (T1U) (A1G)
                 (T2G) (T2G) (T2G) (EG) (EG) (A1G)
 Beta  Orbitals:
       Occupied  (A1G) (A1G) (?A) (?A) (?A)
       Virtual   (?A) (T1U) (T1U) (T1U) (T1U) (T1U) (T1U) (A1G)
                 (T2G) (T2G) (T2G) (EG) (EG) (A1G)
 Initial guess <Sx>= 0.0000 <Sy>= 0.0000 <Sz>= 0.0000 <S**2>= 1.0000 S= 0.6180
 Leave Link  401 at Tue Dec 16 22:37:04 2025, MaxMem= 13421772800 cpu:               5.1 elap:               0.1
 (Enter /home/dell/gs16/g16/l502.exe)
 Keep R1 and R2 ints in memory in symmetry-blocked form, NReq=41378030.
 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=    190 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 UHF open shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot= 13421772800 LenX= 13421761975 LenY= 13421761093
 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.
 An orbital has undefined symmetry, so N**3 symmetry is turned off.

 Cycle   1  Pass 1  IDiag  1:
 Density matrix breaks symmetry, PCut= 1.00D-04
 Density matrix has no symmetry -- integrals replicated.
 Inv3:  Mode=1 IEnd=      112908.
 Iteration    1 A*A^-1 deviation from unit magnitude is 5.33D-15 for      2.
 Iteration    1 A*A^-1 deviation from orthogonality  is 7.80D-16 for    115     67.
 Iteration    1 A^-1*A deviation from unit magnitude is 5.55D-15 for      2.
 Iteration    1 A^-1*A deviation from orthogonality  is 6.43D-16 for    115      1.
 E= -99.6082948111051    
 DIIS: error= 8.49D-02 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -99.6082948111051     IErMin= 1 ErrMin= 8.49D-02
 ErrMax= 8.49D-02  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.25D-01 BMatP= 2.25D-01
 IDIUse=3 WtCom= 1.51D-01 WtEn= 8.49D-01
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.088 Goal=   None    Shift=    0.000
 Gap=     0.088 Goal=   None    Shift=    0.000
 GapD=    0.088 DampG=0.500 DampE=0.500 DampFc=0.2500 IDamp=-1.
 Damping current iteration by 2.50D-01
 RMSDP=1.29D-01 MaxDP=1.24D+00              OVMax= 6.38D-01

 Cycle   2  Pass 1  IDiag  1:
 Density matrix breaks symmetry, PCut= 1.00D-04
 Density matrix has no symmetry -- integrals replicated.
 E= -99.6994827750192     Delta-E=       -0.091187963914 Rises=F Damp=T
 DIIS: error= 6.15D-02 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -99.6994827750192     IErMin= 2 ErrMin= 6.15D-02
 ErrMax= 6.15D-02  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.20D-01 BMatP= 2.25D-01
 IDIUse=3 WtCom= 3.85D-01 WtEn= 6.15D-01
 Coeff-Com: -0.444D+00 0.144D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.171D+00 0.117D+01
 Gap=     0.397 Goal=   None    Shift=    0.000
 Gap=     0.397 Goal=   None    Shift=    0.000
 RMSDP=9.74D-02 MaxDP=9.32D-01 DE=-9.12D-02 OVMax= 6.52D-02

 Cycle   3  Pass 1  IDiag  1:
 Density matrix breaks symmetry, PCut= 1.00D-04
 Density matrix has no symmetry -- integrals replicated.
 E= -99.9872352850411     Delta-E=       -0.287752510022 Rises=F Damp=F
 DIIS: error= 2.21D-02 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -99.9872352850411     IErMin= 3 ErrMin= 2.21D-02
 ErrMax= 2.21D-02  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.21D-02 BMatP= 1.20D-01
 IDIUse=3 WtCom= 7.79D-01 WtEn= 2.21D-01
 Coeff-Com:  0.789D+00-0.134D+01 0.155D+01
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:      0.614D+00-0.104D+01 0.143D+01
 Gap=     0.368 Goal=   None    Shift=    0.000
 Gap=     0.368 Goal=   None    Shift=    0.000
 RMSDP=1.18D-02 MaxDP=7.26D-02 DE=-2.88D-01 OVMax= 9.91D-02

 Cycle   4  Pass 1  IDiag  1:
 Density matrix breaks symmetry, PCut= 1.00D-04
 Density matrix has no symmetry -- integrals replicated.
 E= -99.9835023543881     Delta-E=        0.003732930653 Rises=F Damp=F
 DIIS: error= 3.62D-02 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 3 EnMin= -99.9872352850411     IErMin= 3 ErrMin= 2.21D-02
 ErrMax= 3.62D-02  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.89D-02 BMatP= 3.21D-02
 IDIUse=2 WtCom= 0.00D+00 WtEn= 1.00D+00
 Coeff-En:   0.000D+00 0.000D+00 0.576D+00 0.424D+00
 Coeff:      0.000D+00 0.000D+00 0.576D+00 0.424D+00
 Gap=     0.410 Goal=   None    Shift=    0.000
 Gap=     0.410 Goal=   None    Shift=    0.000
 RMSDP=5.05D-03 MaxDP=2.93D-02 DE= 3.73D-03 OVMax= 4.33D-02

 Cycle   5  Pass 1  IDiag  1:
 Density matrix breaks symmetry, PCut= 1.00D-04
 Density matrix has no symmetry -- integrals replicated.
 E= -99.9985052690377     Delta-E=       -0.015002914650 Rises=F Damp=F
 DIIS: error= 5.71D-03 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -99.9985052690377     IErMin= 5 ErrMin= 5.71D-03
 ErrMax= 5.71D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.49D-03 BMatP= 3.21D-02
 IDIUse=3 WtCom= 9.43D-01 WtEn= 5.71D-02
 Coeff-Com:  0.259D-01-0.527D-01-0.513D-01 0.103D+00 0.975D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:      0.244D-01-0.497D-01-0.484D-01 0.973D-01 0.976D+00
 Gap=     0.405 Goal=   None    Shift=    0.000
 Gap=     0.405 Goal=   None    Shift=    0.000
 RMSDP=1.41D-03 MaxDP=1.06D-02 DE=-1.50D-02 OVMax= 1.32D-02

 Cycle   6  Pass 1  IDiag  1:
 Density matrix breaks symmetry, PCut= 1.00D-04
 Density matrix has no symmetry -- integrals replicated.
 E= -99.9989927412066     Delta-E=       -0.000487472169 Rises=F Damp=F
 DIIS: error= 1.12D-03 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -99.9989927412066     IErMin= 6 ErrMin= 1.12D-03
 ErrMax= 1.12D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.81D-05 BMatP= 2.49D-03
 IDIUse=3 WtCom= 9.89D-01 WtEn= 1.12D-02
 Coeff-Com: -0.278D-02 0.567D-02-0.820D-02-0.443D-01-0.519D-01 0.110D+01
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.275D-02 0.561D-02-0.811D-02-0.438D-01-0.513D-01 0.110D+01
 Gap=     0.405 Goal=   None    Shift=    0.000
 Gap=     0.405 Goal=   None    Shift=    0.000
 RMSDP=1.71D-04 MaxDP=9.15D-04 DE=-4.87D-04 OVMax= 1.49D-03

 Cycle   7  Pass 1  IDiag  1:
 E= -99.9990085509244     Delta-E=       -0.000015809718 Rises=F Damp=F
 DIIS: error= 1.45D-04 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -99.9990085509244     IErMin= 7 ErrMin= 1.45D-04
 ErrMax= 1.45D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.48D-06 BMatP= 8.81D-05
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.45D-03
 Coeff-Com:  0.942D-04-0.163D-03 0.540D-03 0.367D-02-0.485D-02-0.461D-02
 Coeff-Com:  0.101D+01
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00
 Coeff-En:   0.100D+01
 Coeff:      0.940D-04-0.163D-03 0.539D-03 0.367D-02-0.484D-02-0.460D-02
 Coeff:      0.101D+01
 Gap=     0.405 Goal=   None    Shift=    0.000
 Gap=     0.405 Goal=   None    Shift=    0.000
 RMSDP=1.88D-05 MaxDP=1.16D-04 DE=-1.58D-05 OVMax= 1.80D-04

 Cycle   8  Pass 1  IDiag  1:
 E= -99.9990088108484     Delta-E=       -0.000000259924 Rises=F Damp=F
 DIIS: error= 5.16D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -99.9990088108484     IErMin= 8 ErrMin= 5.16D-06
 ErrMax= 5.16D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.97D-09 BMatP= 1.48D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.319D-05 0.467D-05-0.177D-04 0.782D-04 0.108D-03-0.800D-03
 Coeff-Com:  0.453D-01 0.955D+00
 Coeff:     -0.319D-05 0.467D-05-0.177D-04 0.782D-04 0.108D-03-0.800D-03
 Coeff:      0.453D-01 0.955D+00
 Gap=     0.405 Goal=   None    Shift=    0.000
 Gap=     0.405 Goal=   None    Shift=    0.000
 RMSDP=6.27D-07 MaxDP=3.86D-06 DE=-2.60D-07 OVMax= 5.17D-06

 Cycle   9  Pass 1  IDiag  1:
 E= -99.9990088111743     Delta-E=       -0.000000000326 Rises=F Damp=F
 DIIS: error= 1.62D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -99.9990088111743     IErMin= 9 ErrMin= 1.62D-07
 ErrMax= 1.62D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.94D-12 BMatP= 1.97D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.264D-07 0.347D-07 0.218D-07 0.883D-06-0.261D-06-0.501D-05
 Coeff-Com:  0.391D-03-0.265D-01 0.103D+01
 Coeff:     -0.264D-07 0.347D-07 0.218D-07 0.883D-06-0.261D-06-0.501D-05
 Coeff:      0.391D-03-0.265D-01 0.103D+01
 Gap=     0.405 Goal=   None    Shift=    0.000
 Gap=     0.405 Goal=   None    Shift=    0.000
 RMSDP=1.83D-08 MaxDP=1.21D-07 DE=-3.26D-10 OVMax= 1.63D-07

 Cycle  10  Pass 1  IDiag  1:
 E= -99.9990088111746     Delta-E=       -0.000000000000 Rises=F Damp=F
 DIIS: error= 1.77D-09 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -99.9990088111746     IErMin=10 ErrMin= 1.77D-09
 ErrMax= 1.77D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.31D-16 BMatP= 1.94D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.362D-09 0.634D-09-0.226D-08-0.743D-08 0.141D-07 0.149D-07
 Coeff-Com: -0.384D-05 0.574D-03-0.310D-01 0.103D+01
 Coeff:     -0.362D-09 0.634D-09-0.226D-08-0.743D-08 0.141D-07 0.149D-07
 Coeff:     -0.384D-05 0.574D-03-0.310D-01 0.103D+01
 Gap=     0.405 Goal=   None    Shift=    0.000
 Gap=     0.405 Goal=   None    Shift=    0.000
 RMSDP=2.09D-10 MaxDP=1.38D-09 DE=-3.41D-13 OVMax= 1.83D-09

 Error on total polarization charges =  0.02834
 SCF Done:  E(UB3LYP) =  -99.9990088112     A.U. after   10 cycles
            NFock= 10  Conv=0.21D-09     -V/T= 2.0088
 <Sx>= 0.0000 <Sy>= 0.0000 <Sz>= 0.0000 <S**2>= 0.0000 S= 0.0000
 <L.S>=  0.00000000000    
 KE= 9.912824106589D+01 PE=-2.429102810175D+02 EE= 4.378035746481D+01
 SMD-CDS (non-electrostatic) energy       (kcal/mol) =       1.68
 (included in total energy above)
 Annihilation of the first spin contaminant:
 S**2 before annihilation     0.0000,   after     0.0000
 Leave Link  502 at Tue Dec 16 22:37:04 2025, MaxMem= 13421772800 cpu:              21.6 elap:               0.5
 (Enter /home/dell/gs16/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 1 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
 Alpha Orbitals:
       Occupied  (A1G) (A1G) (T1U) (T1U) (T1U)
       Virtual   (A1G) (T1U) (T1U) (T1U) (T1U) (T1U) (T1U) (A1G)
                 (EG) (EG) (T2G) (T2G) (T2G) (A1G)
 Beta  Orbitals:
       Occupied  (A1G) (A1G) (T1U) (T1U) (T1U)
       Virtual   (A1G) (T1U) (T1U) (T1U) (T1U) (T1U) (T1U) (A1G)
                 (EG) (EG) (T2G) (T2G) (T2G) (A1G)
 The electronic state is 1-A1G.
 Alpha  occ. eigenvalues --  -24.54585  -0.98164  -0.26971  -0.26971  -0.26971
 Alpha virt. eigenvalues --    0.13562   0.21982   0.21982   0.21982   1.57069
 Alpha virt. eigenvalues --    1.57069   1.57069   1.66796   1.96586   1.96586
 Alpha virt. eigenvalues --    1.96586   1.96586   1.96586   4.33007
  Beta  occ. eigenvalues --  -24.54585  -0.98164  -0.26971  -0.26971  -0.26971
  Beta virt. eigenvalues --    0.13562   0.21982   0.21982   0.21982   1.57069
  Beta virt. eigenvalues --    1.57069   1.57069   1.66796   1.96586   1.96586
  Beta virt. eigenvalues --    1.96586   1.96586   1.96586   4.33007
          Condensed to atoms (all electrons):
               1
     1  F   10.000000
          Atomic-Atomic Spin Densities.
               1
     1  F    0.000000
 Mulliken charges and spin densities:
               1          2
     1  F   -1.000000   0.000000
 Sum of Mulliken charges =  -1.00000   0.00000
 Mulliken charges and spin densities with hydrogens summed into heavy atoms:
               1          2
     1  F   -1.000000   0.000000
 Electronic spatial extent (au):  <R**2>=             16.4010
 Charge=             -1.0000 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=             -7.3533   YY=             -7.3533   ZZ=             -7.3533
   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=             -7.8288 YYYY=             -7.8288 ZZZZ=             -7.8288 XXXY=              0.0000
 XXXZ=              0.0000 YYYX=              0.0000 YYYZ=             -0.0000 ZZZX=              0.0000
 ZZZY=             -0.0000 XXYY=             -2.6096 XXZZ=             -2.6096 YYZZ=             -2.6096
 XXYZ=             -0.0000 YYXZ=              0.0000 ZZXY=              0.0000
 N-N= 2.673675607267D-03 E-N=-2.429102810731D+02  KE= 9.912824106589D+01
 Symmetry AG   KE= 8.192754505840D+01
 Symmetry B1G  KE= 2.632973034403D-30
 Symmetry B2G  KE= 2.632920899719D-30
 Symmetry B3G  KE= 2.632981791410D-30
 Symmetry AU   KE= 0.000000000000D+00
 Symmetry B1U  KE= 5.733565335829D+00
 Symmetry B2U  KE= 5.733565335829D+00
 Symmetry B3U  KE= 5.733565335829D+00
 Symmetry AG   SP= 7.873853433684D-15
 Symmetry B1G  SP= 5.255176305885D-31
 Symmetry B2G  SP= 5.255266227447D-31
 Symmetry B3G  SP= 5.255086384322D-31
 Symmetry AU   SP= 0.000000000000D+00
 Symmetry B1U  SP= 2.538577146977D-17
 Symmetry B2U  SP= 1.917046989657D-16
 Symmetry B3U  SP= 3.390517639660D-16
                          Isotropic Fermi Contact Couplings
        Atom                 a.u.       MegaHertz       Gauss      10(-4) cm-1
     1  F(19)              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 F(19)  Bbb     0.0000     0.000     0.000     0.000 -0.0000  1.0000  0.0000
              Bcc     0.0000     0.000     0.000     0.000  0.0000  0.0000  1.0000
 

 ---------------------------------------------------------------------------------

 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Tue Dec 16 22:37:04 2025, MaxMem= 13421772800 cpu:               3.8 elap:               0.1
 (Enter /home/dell/gs16/g16/l701.exe)
 ... and contract with generalized density number  0.
 Compute integral first derivatives.
 D1PCM: PCM CHGder 1st derivatives, ID1Alg=3 FixD1E=F DoIter=F DoCFld=F I1PDM=0.
 GePol: Maximum number of non-zero 1st derivatives   =     194
 Leave Link  701 at Tue Dec 16 22:37:05 2025, MaxMem= 13421772800 cpu:               8.4 elap:               0.2
 (Enter /home/dell/gs16/g16/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Tue Dec 16 22:37:05 2025, MaxMem= 13421772800 cpu:               0.4 elap:               0.0
 (Enter /home/dell/gs16/g16/l703.exe)
 Integral derivatives from FoFJK, PRISM(SPDF).
 Compute integral first derivatives, UseDBF=F ICtDFT=           0.
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=1 I1Cent= 0 IOpClX= 1 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=    2127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         0 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 1 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=      2127 IOpCl=  1 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Leave Link  703 at Tue Dec 16 22:37:05 2025, MaxMem= 13421772800 cpu:               5.1 elap:               0.1
 (Enter /home/dell/gs16/g16/l716.exe)
 Dipole        =-1.92081240D-29-7.58397152D-29-1.43380452D-29
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        9          -0.000000000    0.000000000   -0.000000000
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000000000 RMS     0.000000000
 Force constants in Cartesian coordinates: 
                1             2             3 
      1  0.100000D+01
      2  0.000000D+00  0.100000D+01
      3  0.000000D+00  0.000000D+00  0.100000D+01
 Leave Link  716 at Tue Dec 16 22:37:05 2025, MaxMem= 13421772800 cpu:               0.7 elap:               0.0
 (Enter /home/dell/gs16/g16/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Search for a local minimum.
 Step number   1 out of a maximum of   20
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Second derivative matrix not updated -- first step.
 The second derivative matrix:
                          X1        Y1        Z1
           X1           1.00000
           Y1           0.00000   1.00000
           Z1           0.00000   0.00000   1.00000
 ITU=  0
     Eigenvalues ---    1.00000   1.00000   1.00000
 RFO step:  Lambda= 0.00000000D+00 EMin= 1.00000000D+00
 ClnCor:  largest displacement from symmetrization is 2.54D-17 for atom     1.
 Linear search not attempted -- first point.
 ClnCor:  largest displacement from symmetrization is 0.00D+00 for atom     0.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    X1        3.91674  -0.00000   0.00000   0.00000   0.00000   3.91674
    Y1        2.80490   0.00000   0.00000   0.00000   0.00000   2.80490
    Z1       -1.34905  -0.00000   0.00000   0.00000   0.00000  -1.34905
         Item               Value     Threshold  Converged?
 Maximum Force            0.000000     0.000450     YES
 RMS     Force            0.000000     0.000300     YES
 Maximum Displacement     0.000000     0.001800     YES
 RMS     Displacement     0.000000     0.001200     YES
 Predicted change in Energy=-0.000000D+00
 Optimization completed.
    -- Stationary point found.
 Lowest energy point so far.  Saving SCF results.
 Largest change from initial coordinates is atom    0       0.000 Angstoms.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Tue Dec 16 22:37:05 2025, MaxMem= 13421772800 cpu:               0.6 elap:               0.0
 (Enter /home/dell/gs16/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          9           0        2.072650    1.484290   -0.713887
 ---------------------------------------------------------------------
 Stoichiometry    F(1-)
 Framework group  OH[O(F)]
 Deg. of freedom     0
 Full point group                 OH      NOp  48
 RotChk:  IX=0 Diff= 0.00D+00
 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          9           0        0.000000    0.000000    0.000000
 ---------------------------------------------------------------------
 Leave Link  202 at Tue Dec 16 22:37:05 2025, MaxMem= 13421772800 cpu:               0.4 elap:               0.0
 (Enter /home/dell/gs16/g16/l9999.exe)
 1\1\GINC-NODE01\FOpt\UB3LYP\6-31+G(d)\F1(1-)\DELL\16-Dec-2025\0\\#p op
 t=cartesian freq ub3lyp/6-31+g(d) scrf=(smd,solvent=water) guess=mix\\
 "Sketch 9"\\-1,1\F,2.07265,1.48429,-0.713887\\Version=ES64L-G16RevA.03
 \State=1-A1G\HF=-99.9990088\S2=0.\S2-1=0.\S2A=0.\RMSD=2.088e-10\RMSF=1
 .468e-17\Dipole=0.,0.,0.\Quadrupole=0.,0.,0.,0.,0.,0.\PG=OH [O(F1)]\\@


 THE ONLY TROUBLE WITH A SURE THING IS THE UNCERTAINTY.
     -- FROM A TEABAG (BELONGING TO W.H.?)
 Leave Link 9999 at Tue Dec 16 22:37:05 2025, MaxMem= 13421772800 cpu:               0.5 elap:               0.0
 Job cpu time:       0 days  0 hours  0 minutes 57.9 seconds.
 Elapsed time:       0 days  0 hours  0 minutes  1.3 seconds.
 File lengths (MBytes):  RWF=      6 Int=      0 D2E=      0 Chk=      1 Scr=      1
 Normal termination of Gaussian 16 at Tue Dec 16 22:37:05 2025.
 (Enter /home/dell/gs16/g16/l1.exe)
 Link1:  Proceeding to internal job step number  2.
 ---------------------------------------------------------------------
 #P Geom=AllCheck Guess=TCheck SCRF=Check GenChk UB3LYP/6-31+G(d) Freq
 ---------------------------------------------------------------------
 1/10=4,29=7,30=1,38=1,40=1/1,3;
 2/12=2,40=1/2;
 3/5=1,6=6,7=11,11=2,14=-4,25=1,30=1,70=2,71=2,74=-5,116=2,140=1/1,2,3;
 4/5=101/1;
 5/5=2,38=6,98=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=2,28=1/1;
 7/8=1,10=1,25=1/1,2,3,16;
 1/10=4,30=1/3;
 99//99;
 Leave Link    1 at Tue Dec 16 22:37:05 2025, MaxMem= 13421772800 cpu:               0.4 elap:               0.0
 (Enter /home/dell/gs16/g16/l101.exe)
 Structure from the checkpoint file:  "F-.chk"
 ----------
 "Sketch 9"
 ----------
 Charge = -1 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  F                                                 2.072650000000      1.484290000000     -0.713887000000
 Recover connectivity data from disk.
 ITRead=  0
 MicOpt= -1
 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=          19
 AtmWgt=  18.9984032
 NucSpn=           1
 AtZEff=   6.7500000
 NQMom=    0.0000000
 NMagM=    2.6288670
 AtZNuc=   9.0000000
 Leave Link  101 at Tue Dec 16 22:37:05 2025, MaxMem= 13421772800 cpu:               1.0 elap:               0.0
 (Enter /home/dell/gs16/g16/l103.exe)

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Initialization pass.
 Trust Radius=3.00D-01 FncErr=1.00D-07 GrdErr=1.00D-07 EigMax=2.50D+02 EigMin=1.00D-04
 Number of steps in this run=      2 maximum allowed number of steps=      2.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Tue Dec 16 22:37:05 2025, MaxMem= 13421772800 cpu:               0.2 elap:               0.0
 (Enter /home/dell/gs16/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          9           0        2.072650    1.484290   -0.713887
 ---------------------------------------------------------------------
 Stoichiometry    F(1-)
 Framework group  OH[O(F)]
 Deg. of freedom     0
 Full point group                 OH      NOp  48
 RotChk:  IX=0 Diff= 0.00D+00
 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          9           0        0.000000    0.000000    0.000000
 ---------------------------------------------------------------------
 Leave Link  202 at Tue Dec 16 22:37:05 2025, MaxMem= 13421772800 cpu:               0.3 elap:               0.0
 (Enter /home/dell/gs16/g16/l301.exe)
 Standard basis: 6-31+G(d) (6D, 7F)
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are     7 symmetry adapted cartesian basis functions of AG  symmetry.
 There are     1 symmetry adapted cartesian basis functions of B1G symmetry.
 There are     1 symmetry adapted cartesian basis functions of B2G symmetry.
 There are     1 symmetry adapted cartesian basis functions of B3G symmetry.
 There are     0 symmetry adapted cartesian basis functions of AU  symmetry.
 There are     3 symmetry adapted cartesian basis functions of B1U symmetry.
 There are     3 symmetry adapted cartesian basis functions of B2U symmetry.
 There are     3 symmetry adapted cartesian basis functions of B3U symmetry.
 There are     7 symmetry adapted basis functions of AG  symmetry.
 There are     1 symmetry adapted basis functions of B1G symmetry.
 There are     1 symmetry adapted basis functions of B2G symmetry.
 There are     1 symmetry adapted basis functions of B3G symmetry.
 There are     0 symmetry adapted basis functions of AU  symmetry.
 There are     3 symmetry adapted basis functions of B1U symmetry.
 There are     3 symmetry adapted basis functions of B2U symmetry.
 There are     3 symmetry adapted basis functions of B3U symmetry.
    19 basis functions,    32 primitive gaussians,    19 cartesian basis functions
     5 alpha electrons        5 beta electrons
       nuclear repulsion energy         0.0000000000 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 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.
 Force inversion solution in PCM.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : PCM.
 Atomic radii         : SMD-Coulomb.
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : Matrix inversion.
 Cavity type          : VdW (van der Waals Surface) (Alpha=1.000).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=    1.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: York/Karplus (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 1st derivatives      : Analytical E(r).r(x)/FMM algorithm (CHGder, D1EAlg=3).
                        Cavity 1st derivative terms included.
 2nd derivatives      : Analytical E(r).r(xy)/FMM algorithm (CHGder, D2EAlg=3).
                        Cavity 2nd derivative terms included.
 Solvent              : Water, Eps=  78.355300 Eps(inf)=   1.777849
 ------------------------------------------------------------------------------
 Spheres list:
 ISph  on   Nord     Re0    Alpha      Xe            Ye            Ze
    1   F      1    1.7300  1.000      0.000000      0.000000      0.000000
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =       1
 GePol: Total number of spheres                      =       1
 GePol: Number of exposed spheres                    =       1 (100.00%)
 GePol: Number of points                             =     194
 GePol: Average weight of points                     =       0.19
 GePol: Minimum weight of points                     =   0.67D-01
 GePol: Maximum weight of points                     =    0.21501
 GePol: Number of points with low weight             =       0
 GePol: Fraction of low-weight points (<1% of avg)   =       0.00%
 GePol: Cavity surface area                          =     37.610 Ang**2
 GePol: Cavity volume                                =     21.688 Ang**3
 ------------------------------------------------------------------------------
 Atomic radii for non-electrostatic terms: SMD-CDS.
 ------------------------------------------------------------------------------
 PCM non-electrostatic energy =         0.0026736756 Hartrees.
 Nuclear repulsion after PCM non-electrostatic terms =        0.0026736756 Hartrees.
 Leave Link  301 at Tue Dec 16 22:37:05 2025, MaxMem= 13421772800 cpu:               1.0 elap:               0.0
 (Enter /home/dell/gs16/g16/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.
 One-electron integral symmetry used in STVInt
 NBasis=    19 RedAO= T EigKep=  7.51D-03  NBF=     7     1     1     1     0     3     3     3
 NBsUse=    19 1.00D-06 EigRej= -1.00D+00 NBFU=     7     1     1     1     0     3     3     3
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=    19    19    19    19    19 MxSgAt=     1 MxSgA2=     1.
 Leave Link  302 at Tue Dec 16 22:37:05 2025, MaxMem= 13421772800 cpu:               3.5 elap:               0.1
 (Enter /home/dell/gs16/g16/l303.exe)
 DipDrv:  MaxL=1.
 Leave Link  303 at Tue Dec 16 22:37:05 2025, MaxMem= 13421772800 cpu:               0.5 elap:               0.0
 (Enter /home/dell/gs16/g16/l401.exe)
 Initial guess from the checkpoint file:  "F-.chk"
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Initial guess orbital symmetries:
 Alpha Orbitals:
       Occupied  (A1G) (A1G) (T1U) (T1U) (T1U)
       Virtual   (A1G) (T1U) (T1U) (T1U) (T1U) (T1U) (T1U) (A1G)
                 (EG) (EG) (T2G) (T2G) (T2G) (A1G)
 Beta  Orbitals:
       Occupied  (A1G) (A1G) (T1U) (T1U) (T1U)
       Virtual   (A1G) (T1U) (T1U) (T1U) (T1U) (T1U) (T1U) (A1G)
                 (EG) (EG) (T2G) (T2G) (T2G) (A1G)
 The electronic state of the initial guess is 1-A1G.
 Initial guess <Sx>= 0.0000 <Sy>= 0.0000 <Sz>= 0.0000 <S**2>= 0.0000 S= 0.0000
 Leave Link  401 at Tue Dec 16 22:37:05 2025, MaxMem= 13421772800 cpu:               1.3 elap:               0.0
 (Enter /home/dell/gs16/g16/l502.exe)
 Keep R1 and R2 ints in memory in symmetry-blocked form, NReq=41378030.
 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=    190 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 UHF open shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot= 13421772800 LenX= 13421761975 LenY= 13421761093
 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.
 An orbital has undefined symmetry, so N**3 symmetry is turned off.

 Cycle   1  Pass 1  IDiag  1:
 Inv3:  Mode=1 IEnd=      112908.
 Iteration    1 A*A^-1 deviation from unit magnitude is 5.11D-15 for      2.
 Iteration    1 A*A^-1 deviation from orthogonality  is 8.09D-16 for    115     67.
 Iteration    1 A^-1*A deviation from unit magnitude is 5.77D-15 for      2.
 Iteration    1 A^-1*A deviation from orthogonality  is 6.41D-16 for    115      1.
 E= -99.9990088111747    
 DIIS: error= 2.45D-11 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -99.9990088111747     IErMin= 1 ErrMin= 2.45D-11
 ErrMax= 2.45D-11  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.60D-20 BMatP= 4.60D-20
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.100D+01
 Coeff:      0.100D+01
 Gap=     0.405 Goal=   None    Shift=    0.000
 Skip diagonalization as Alpha Fock matrix is already diagonal.
 Gap=     0.405 Goal=   None    Shift=    0.000
 Skip diagonalization as Beta Fock matrix is already diagonal.
 RMSDP=5.17D-18 MaxDP=5.55D-17              OVMax= 0.00D+00

 Error on total polarization charges =  0.02834
 SCF Done:  E(UB3LYP) =  -99.9990088112     A.U. after    1 cycles
            NFock=  1  Conv=0.52D-17     -V/T= 2.0088
 <Sx>= 0.0000 <Sy>= 0.0000 <Sz>= 0.0000 <S**2>= 0.0000 S= 0.0000
 <L.S>=  0.00000000000    
 KE= 9.912824106589D+01 PE=-2.429102810731D+02 EE= 4.378035752041D+01
 SMD-CDS (non-electrostatic) energy       (kcal/mol) =       1.68
 (included in total energy above)
 Annihilation of the first spin contaminant:
 S**2 before annihilation     0.0000,   after    -0.0000
 Leave Link  502 at Tue Dec 16 22:37:05 2025, MaxMem= 13421772800 cpu:               8.4 elap:               0.2
 (Enter /home/dell/gs16/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1    19
 NBasis=    19 NAE=     5 NBE=     5 NFC=     0 NFV=     0
 NROrb=     19 NOA=     5 NOB=     5 NVA=    14 NVB=    14
 Leave Link  801 at Tue Dec 16 22:37:05 2025, MaxMem= 13421772800 cpu:               0.4 elap:               0.0
 (Enter /home/dell/gs16/g16/l1101.exe)
 Using compressed storage, NAtomX=     1.
 Will process      2 centers per pass.
 Leave Link 1101 at Tue Dec 16 22:37:05 2025, MaxMem= 13421772800 cpu:               3.6 elap:               0.1
 (Enter /home/dell/gs16/g16/l1102.exe)
 Symmetrizing basis deriv contribution to polar:
 IMax=3 JMax=2 DiffMx= 0.00D+00
 Leave Link 1102 at Tue Dec 16 22:37:05 2025, MaxMem= 13421772800 cpu:               0.4 elap:               0.0
 (Enter /home/dell/gs16/g16/l1110.exe)
 Forming Gx(P) for the SCF density, NAtomX=     1.
 Integral derivatives from FoFJK, PRISM(SPDF).
 Do as many integral derivatives as possible in FoFJK.
 G2DrvN: MDV=   13421772598.
 G2DrvN: will do     2 centers at a time, making    1 passes.
 Calling FoFCou, ICntrl=  3107 FMM=F I1Cent=   0 AccDes= 0.00D+00.
 FoFJK:  IHMeth= 1 ICntrl=    3107 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         0 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 1 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=      3107 IOpCl=  1 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 NEqPCM:  Using equilibrium solvation (IEInf=0, Eps=  78.3553, EpsInf=   1.7778)
 G2PCM: DoFxE=T DoFxN=T DoGrad=T DoDP/DQ/DG/TGxP=FFFF NFrqRd=   0 IEInf=0 SqF1=F DoCFld=F IF1Alg=4.
 GePol: Maximum number of non-zero 1st derivatives   =     194
 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.
 Leave Link 1110 at Tue Dec 16 22:37:06 2025, MaxMem= 13421772800 cpu:              22.1 elap:               0.5
 (Enter /home/dell/gs16/g16/l1002.exe)
 Minotr:  UHF open shell wavefunction.
          IDoAtm=1
 NEqPCM:  Using equilibrium solvation (IEInf=0, Eps=  78.3553, EpsInf=   1.7778)
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
          Differentiating once with respect to nuclear coordinates.
          Using symmetry in CPHF.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=T KeepS1=F KeepF1=F KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
          299 words used for storage of precomputed grid.
 Keep R1 and R2 ints in memory in symmetry-blocked form, NReq=41210828.
 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=    190 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
          MDV=   13421772800 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=       0.
 FoF2E skips out because all densities are zero.
 CalDSu exits because no D1Ps are significant.
          There are     6 degrees of freedom in the 1st order CPHF.  IDoFFX=6 NUNeed=     3.
      3 vectors produced by pass  0 Test12= 2.33D-15 1.67D-08 XBig12= 4.57D+00 1.45D+00.
 AX will form     3 AO Fock derivatives at one time.
      3 vectors produced by pass  1 Test12= 2.33D-15 1.67D-08 XBig12= 3.20D-02 7.26D-02.
      3 vectors produced by pass  2 Test12= 2.33D-15 1.67D-08 XBig12= 2.68D-04 7.74D-03.
      3 vectors produced by pass  3 Test12= 2.33D-15 1.67D-08 XBig12= 1.28D-07 1.65D-04.
      3 vectors produced by pass  4 Test12= 2.33D-15 1.67D-08 XBig12= 9.83D-12 1.74D-06.
 InvSVY:  IOpt=1 It=  1 EMax= 2.22D-16
 Solved reduced A of dimension    15 with     3 vectors.
 FullF1:  Do perturbations      1 to       3.
 Isotropic polarizability for W=    0.000000        5.72 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.
 Leave Link 1002 at Tue Dec 16 22:37:06 2025, MaxMem= 13421772800 cpu:               8.8 elap:               0.2
 (Enter /home/dell/gs16/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 1 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
 Alpha Orbitals:
       Occupied  (A1G) (A1G) (T1U) (T1U) (T1U)
       Virtual   (A1G) (T1U) (T1U) (T1U) (T1U) (T1U) (T1U) (A1G)
                 (EG) (EG) (T2G) (T2G) (T2G) (A1G)
 Beta  Orbitals:
       Occupied  (A1G) (A1G) (T1U) (T1U) (T1U)
       Virtual   (A1G) (T1U) (T1U) (T1U) (T1U) (T1U) (T1U) (A1G)
                 (EG) (EG) (T2G) (T2G) (T2G) (A1G)
 The electronic state is 1-A1G.
 Alpha  occ. eigenvalues --  -24.54585  -0.98164  -0.26971  -0.26971  -0.26971
 Alpha virt. eigenvalues --    0.13562   0.21982   0.21982   0.21982   1.57069
 Alpha virt. eigenvalues --    1.57069   1.57069   1.66796   1.96586   1.96586
 Alpha virt. eigenvalues --    1.96586   1.96586   1.96586   4.33007
  Beta  occ. eigenvalues --  -24.54585  -0.98164  -0.26971  -0.26971  -0.26971
  Beta virt. eigenvalues --    0.13562   0.21982   0.21982   0.21982   1.57069
  Beta virt. eigenvalues --    1.57069   1.57069   1.66796   1.96586   1.96586
  Beta virt. eigenvalues --    1.96586   1.96586   1.96586   4.33007
          Condensed to atoms (all electrons):
               1
     1  F   10.000000
          Atomic-Atomic Spin Densities.
               1
     1  F   -0.000000
 Mulliken charges and spin densities:
               1          2
     1  F   -1.000000  -0.000000
 Sum of Mulliken charges =  -1.00000  -0.00000
 Mulliken charges and spin densities with hydrogens summed into heavy atoms:
               1          2
     1  F   -1.000000  -0.000000
 APT charges:
               1
     1  F   -1.000000
 Sum of APT charges =  -1.00000
 APT charges with hydrogens summed into heavy atoms:
               1
     1  F   -1.000000
 Electronic spatial extent (au):  <R**2>=             16.4010
 Charge=             -1.0000 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=             -7.3533   YY=             -7.3533   ZZ=             -7.3533
   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=             -7.8288 YYYY=             -7.8288 ZZZZ=             -7.8288 XXXY=              0.0000
 XXXZ=              0.0000 YYYX=              0.0000 YYYZ=             -0.0000 ZZZX=              0.0000
 ZZZY=             -0.0000 XXYY=             -2.6096 XXZZ=             -2.6096 YYZZ=             -2.6096
 XXYZ=             -0.0000 YYXZ=              0.0000 ZZXY=              0.0000
 N-N= 2.673675607267D-03 E-N=-2.429102810731D+02  KE= 9.912824106589D+01
 Symmetry AG   KE= 8.192754505841D+01
 Symmetry B1G  KE= 2.632973034403D-30
 Symmetry B2G  KE= 2.632920899719D-30
 Symmetry B3G  KE= 2.632981791410D-30
 Symmetry AU   KE= 0.000000000000D+00
 Symmetry B1U  KE= 5.733565335829D+00
 Symmetry B2U  KE= 5.733565335829D+00
 Symmetry B3U  KE= 5.733565335829D+00
 Symmetry AG   SP= 7.763207099228D-16
 Symmetry B1G  SP= 5.255176305885D-31
 Symmetry B2G  SP= 5.255266227447D-31
 Symmetry B3G  SP= 5.255086384322D-31
 Symmetry AU   SP= 0.000000000000D+00
 Symmetry B1U  SP=-1.247774524789D-16
 Symmetry B2U  SP=-2.720172543803D-16
 Symmetry B3U  SP=-2.967267701572D-16
  Exact polarizability:   5.720   0.000   5.720   0.000  -0.000   5.720
 Approx polarizability:   5.071   0.000   5.071   0.000  -0.000   5.071
                          Isotropic Fermi Contact Couplings
        Atom                 a.u.       MegaHertz       Gauss      10(-4) cm-1
     1  F(19)              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 F(19)  Bbb     0.0000     0.000     0.000     0.000 -0.0000  1.0000  0.0000
              Bcc     0.0000     0.000     0.000     0.000  0.0000  0.0000  1.0000
 

 ---------------------------------------------------------------------------------

 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Tue Dec 16 22:37:06 2025, MaxMem= 13421772800 cpu:               2.5 elap:               0.1
 (Enter /home/dell/gs16/g16/l701.exe)
 ... and contract with generalized density number  0.
 Compute integral second derivatives.
 D2PCM: PCM CHGder 2nd derivatives, FixD1E=F FixD2E=F DoIter=F DoCFld=F I1PDM=0
 GePol: Maximum number of non-zero 2nd derivatives   =     194
 Leave Link  701 at Tue Dec 16 22:37:07 2025, MaxMem= 13421772800 cpu:              24.2 elap:               0.5
 (Enter /home/dell/gs16/g16/l702.exe)
 L702 exits ... SP integral derivatives will be done elsewhere.
 Leave Link  702 at Tue Dec 16 22:37:07 2025, MaxMem= 13421772800 cpu:               0.5 elap:               0.0
 (Enter /home/dell/gs16/g16/l703.exe)
 Integral derivatives from FoFJK, PRISM(SPDF).
 Compute integral second derivatives, UseDBF=F ICtDFT=           0.
 Calling FoFJK, ICntrl=    100127 FMM=F ISym2X=1 I1Cent= 0 IOpClX= 1 NMat=1 NMatS=1 NMatT=0.
 FoFJK:  IHMeth= 1 ICntrl=  100127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         0 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 1 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=         800
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=    100127 IOpCl=  1 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Leave Link  703 at Tue Dec 16 22:37:07 2025, MaxMem= 13421772800 cpu:               9.1 elap:               0.2
 (Enter /home/dell/gs16/g16/l716.exe)
 Dipole        =-2.00867782D-29 3.75889270D-29-3.49773491D-29
 Polarizability= 5.72001183D+00 2.79550079D-15 5.72001183D+00
                 2.26093600D-15-7.50755048D-15 5.72001183D+00
 Full mass-weighted force constant matrix:
 Low frequencies ---    0.0022    0.0022    0.0022
 Diagonal vibrational polarizability:
        0.0000000       0.0000000       0.0000000
 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:

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  9 and mass  18.99840
 Molecular mass:    18.99840 amu.
 Zero-point vibrational energy          0.0 (Joules/Mol)
                                    0.00000 (Kcal/Mol)
 Vibrational temperatures: 
          (Kelvin)
 
 Zero-point correction=                           0.000000 (Hartree/Particle)
 Thermal correction to Energy=                    0.001416
 Thermal correction to Enthalpy=                  0.002360
 Thermal correction to Gibbs Free Energy=        -0.014159
 Sum of electronic and zero-point Energies=            -99.999009
 Sum of electronic and thermal Energies=               -99.997593
 Sum of electronic and thermal Enthalpies=             -99.996648
 Sum of electronic and thermal Free Energies=         -100.013167
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                    0.889              2.981             34.767
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             34.767
 Rotational               0.000              0.000              0.000
 Vibrational              0.000              0.000              0.000
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.325484D+07          6.512530         14.995653
 Total V=0       0.325484D+07          6.512530         14.995653
 Vib (Bot)       0.100000D+01          0.000000          0.000000
 Vib (V=0)       0.100000D+01          0.000000          0.000000
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.325484D+07          6.512530         14.995653
 Rotational      0.100000D+01          0.000000          0.000000
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        9          -0.000000000    0.000000000   -0.000000000
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000000000 RMS     0.000000000
 Force constants in Cartesian coordinates: 
                1             2             3 
      1  0.000000D+00
      2  0.000000D+00  0.000000D+00
      3  0.000000D+00  0.000000D+00  0.000000D+00
 Leave Link  716 at Tue Dec 16 22:37:07 2025, MaxMem= 13421772800 cpu:               0.5 elap:               0.0
 (Enter /home/dell/gs16/g16/l103.exe)

 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
           X1           0.00000
           Y1          -0.00000   0.00000
           Z1           0.00000  -0.00000   0.00000
 ITU=  0
     Eigenvalues --- 
 Angle between quadratic step and forces=  90.00 degrees.
 ClnCor:  largest displacement from symmetrization is 0.00D+00 for atom     0.
 Linear search not attempted -- first point.
 ClnCor:  largest displacement from symmetrization is 0.00D+00 for atom     0.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    X1        3.91674  -0.00000   0.00000   0.00000   0.00000   3.91674
    Y1        2.80490   0.00000   0.00000   0.00000   0.00000   2.80490
    Z1       -1.34905  -0.00000   0.00000   0.00000   0.00000  -1.34905
         Item               Value     Threshold  Converged?
 Maximum Force            0.000000     0.000450     YES
 RMS     Force            0.000000     0.000300     YES
 Maximum Displacement     0.000000     0.001800     YES
 RMS     Displacement     0.000000     0.001200     YES
 Predicted change in Energy=-0.000000D+00
 Optimization completed.
    -- Stationary point found.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Leave Link  103 at Tue Dec 16 22:37:07 2025, MaxMem= 13421772800 cpu:               0.4 elap:               0.0
 (Enter /home/dell/gs16/g16/l9999.exe)
 Dipole is zero, so no output in dipole orientation.

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.000000D+00      0.000000D+00      0.000000D+00
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.000000D+00      0.000000D+00      0.000000D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.572001D+01      0.847618D+00      0.943103D+00
   aniso      0.000000D+00      0.000000D+00      0.000000D+00
   xx         0.572001D+01      0.847618D+00      0.943103D+00
   yx         0.000000D+00      0.000000D+00      0.000000D+00
   yy         0.572001D+01      0.847618D+00      0.943103D+00
   zx         0.000000D+00      0.000000D+00      0.000000D+00
   zy         0.000000D+00      0.000000D+00      0.000000D+00
   zz         0.572001D+01      0.847618D+00      0.943103D+00

 ----------------------------------------------------------------------
 1\1\GINC-NODE01\Freq\UB3LYP\6-31+G(d)\F1(1-)\DELL\16-Dec-2025\0\\#P Ge
 om=AllCheck Guess=TCheck SCRF=Check GenChk UB3LYP/6-31+G(d) Freq\\"Ske
 tch 9"\\-1,1\F,2.07265,1.48429,-0.713887\\Version=ES64L-G16RevA.03\Sta
 te=1-A1G\HF=-99.9990088\S2=0.\S2-1=0.\S2A=0.\RMSD=5.172e-18\RMSF=1.069
 e-16\Thermal=0.0014163\Dipole=0.,0.,0.\DipoleDeriv=-1.,0.,0.,0.,-1.,0.
 ,0.,0.,-1.\Polar=5.7200118,0.,5.7200118,0.,0.,5.7200118\Quadrupole=0.,
 0.,0.,0.,0.,0.\PG=OH [O(F1)]\NImag=0\\0.,0.,0.,0.,0.,0.\\0.,0.,0.\\\@


 ACHIEVEMENT--  THE MAN WHO ROWS THE BOAT GENERALLY 
                DOESN'T HAVE TIME TO ROCK IT.

                   -- FROM THE BACK OF A SUGAR PACKET
 Job cpu time:       0 days  0 hours  1 minutes 30.0 seconds.
 Elapsed time:       0 days  0 hours  0 minutes  2.0 seconds.
 File lengths (MBytes):  RWF=      6 Int=      0 D2E=      0 Chk=      1 Scr=      1
 Normal termination of Gaussian 16 at Tue Dec 16 22:37:07 2025.
