Entering Link 1 = C:\G09W\l1.exe PID= 12084.

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Cite this work as:

Gaussian 09, Revision C.01,
M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria,
M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, B. Mennucci,
G. A. Petersson, H. Nakatsuji, M. Caricato, X. Li, H. P. Hratchian,
A. F. Izmaylov, J. Bloino, G. Zheng, J. L. Sonnenberg, M. Hada,
M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima,
Y. Honda, O. Kitao, H. Nakai, T. Vreven, J. A. Montgomery, Jr.,
J. E. Peralta, F. Ogliaro, M. Bearpark, J. J. Heyd, E. Brothers,
K. N. Kudin, V. N. Staroverov, T. Keith, R. Kobayashi, J. Normand,
K. Raghavachari, A. Rendell, J. C. Burant, S. S. Iyengar, J. Tomasi,
M. Cossi, N. Rega, J. M. Millam, M. Klene, J. E. Knox, J. B. Cross,
V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann,
O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J. W. Ochterski,
R. L. Martin, K. Morokuma, V. G. Zakrzewski, G. A. Voth,
P. Salvador, J. J. Dannenberg, S. Dapprich, A. D. Daniels,
O. Farkas, J. B. Foresman, J. V. Ortiz, J. Cioslowski,
and D. J. Fox, Gaussian, Inc., Wallingford CT, 2010.

******************************************
Gaussian 09: IA32W-G09RevC.01 23-Sep-2011
05-May-2021
******************************************
%mem=1GB
%nprocshared=3
Will use up to 3 processors via shared memory.
------------------------------------------------------------------
# opt freq gen scrf=(iefpcm,solvent=water) geom=connectivity tpssh
------------------------------------------------------------------
1/14=-1,18=20,19=15,26=3,38=1,57=2/1,3;
2/9=110,12=2,17=6,18=5,40=1/2;
3/5=7,11=2,16=1,25=1,30=1,70=2201,71=1,72=1,74=-35/1,2,3;
4//1;
5/5=2,38=5,53=1/2;
6/7=2,8=2,9=2,10=2,28=1/1;
7//1,2,3,16;
1/14=-1,18=20,19=15/3(2);
2/9=110/2;
99//99;
2/9=110/2;
3/5=7,6=1,11=2,16=1,25=1,30=1,70=2205,71=1,72=1,74=-35,82=7/1,2,3;
4/5=5,16=3/1;
5/5=2,38=5,53=1/2;
7//1,2,3,16;
1/14=-1,18=20,19=15/3(-5);
2/9=110/2;
6/7=2,8=2,9=2,10=2,19=2,28=1/1;
99/9=1/99;
-----
Cloro
-----
Charge = -1 Multiplicity = 1
Symbolic Z-Matrix:
Cl -0.49699 0.06024 0.

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

Input orientation:
---------------------------------------------------------------------
Center Atomic Atomic Coordinates (Angstroms)
Number Number Type X Y Z
---------------------------------------------------------------------
1 17 0 -0.496988 0.060241 0.000000
---------------------------------------------------------------------
Stoichiometry Cl(1-)
Framework group OH[O(Cl)]
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 17 0 0.000000 0.000000 0.000000
---------------------------------------------------------------------
General basis read from cards: (5D, 7F)
There are 9 symmetry adapted basis functions of AG symmetry.
There are 2 symmetry adapted basis functions of B1G symmetry.
There are 2 symmetry adapted basis functions of B2G symmetry.
There are 2 symmetry adapted basis functions of B3G symmetry.
There are 0 symmetry adapted basis functions of AU symmetry.
There are 4 symmetry adapted basis functions of B1U symmetry.
There are 4 symmetry adapted basis functions of B2U symmetry.
There are 4 symmetry adapted basis functions of B3U symmetry.
Integral buffers will be 262144 words long.
Raffenetti 2 integral format.
Two-electron integral symmetry is turned on.
27 basis functions, 81 primitive gaussians, 29 cartesian basis functions
9 alpha electrons 9 beta electrons
nuclear repulsion energy 0.0000000000 Hartrees.
NAtoms= 1 NActive= 1 NUniq= 1 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F
------------------------------------------------------------------------------
Polarizable Continuum Model (PCM)
=================================
Model : PCM.
Atomic radii : UFF (Universal Force Field).
Polarization charges : Total charges.
Charge compensation : None.
Solution method : Matrix inversion.
Cavity type : Scaled VdW (van der Waals Surface) (Alpha=1.100).
Cavity algorithm : GePol (No added spheres)
Default sphere list used, NSphG= 1.
Lebedev-Laikov grids with approx. 5.0 points / Ang**2.
Smoothing algorithm: Karplus/York (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 Cl 1 1.974 1.100 0.000000 0.000000 0.000000
------------------------------------------------------------------------------
 One-electron integrals computed using PRISM.
NBasis= 27 RedAO= T NBF= 9 2 2 2 0 4 4 4
NBsUse= 27 1.00D-06 NBFU= 9 2 2 2 0 4 4 4
Harris functional with IExCor= 1009 diagonalized for initial guess.
ExpMin= 4.66D-02 ExpMax= 1.28D+05 ExpMxC= 1.24D+03 IAcc=2 IRadAn= 4
AccDes= 0.00D+00
HarFok: IExCor= 1009 AccDes= 0.00D+00 IRadAn= 4 IDoV= 1
ScaDFX= 1.000000 1.000000 1.000000 1.000000
FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0
NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T
Omega= 0.000000 0.000000 1.000000 0.000000 0.000000 ICntrl= 500
IOpCl= 0
NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0=
0
I1Cent= 4 NGrid= 0.
Petite list used in FoFCou.
Initial guess orbital symmetries:
Occupied (A1G) (A1G) (T1U) (T1U) (T1U) (A1G) (T1U) (T1U)
(T1U)
Virtual (A1G) (T1U) (T1U) (T1U) (EG) (EG) (T2G) (T2G)
(T2G) (T1U) (T1U) (T1U) (A1G) (T2G) (T2G) (EG)
(T2G) (EG)
The electronic state of the initial guess is 1-A1G.
Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
Requested convergence on MAX density matrix=1.00D-06.
Requested convergence on energy=1.00D-06.
No special actions if energy rises.
Keep R1 ints in memory in canonical form, NReq=3106856.
Error on total polarization charges = 0.03486
SCF Done: E(RTPSSh) = -460.401845618 A.U. after 7 cycles
Convg = 0.2521D-08 -V/T = 2.0024

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

Population analysis using the SCF density.

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

Orbital symmetries:
Occupied (A1G) (A1G) (T1U) (T1U) (T1U) (A1G) (T1U) (T1U)
(T1U)
Virtual (A1G) (T1U) (T1U) (T1U) (EG) (EG) (T2G) (T2G)
(T2G) (T1U) (T1U) (T1U) (A1G) (EG) (EG) (T2G)
(T2G) (T2G)
The electronic state is 1-A1G.
Alpha occ. eigenvalues -- -101.28661 -9.27384 -7.01609 -7.01609 -7.01609
Alpha occ. eigenvalues -- -0.67433 -0.22849 -0.22849 -0.22849
Alpha virt. eigenvalues -- 0.06122 0.08010 0.08010 0.08010 0.35936
Alpha virt. eigenvalues -- 0.35936 0.35937 0.35937 0.35937 0.74938
Alpha virt. eigenvalues -- 0.74938 0.74938 0.98151 1.19516 1.19516
Alpha virt. eigenvalues -- 1.19516 1.19516 1.19516
Condensed to atoms (all electrons):
1
1 Cl 18.000000
Mulliken atomic charges:
1
1 Cl -1.000000
Sum of Mulliken atomic charges = -1.00000
Mulliken charges with hydrogens summed into heavy atoms:
 1
1 Cl -1.000000
Sum of Mulliken charges with hydrogens summed into heavy atoms = -1.00000
Electronic spatial extent (au): <R**2>= 37.7946
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= -16.9450 YY= -16.9450 ZZ= -16.9450
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= -28.1025 YYYY= -28.1025 ZZZZ= -28.1025
XXXY= 0.0000
XXXZ= 0.0000 YYYX= 0.0000 YYYZ= 0.0000
ZZZX= 0.0000
ZZZY= 0.0000 XXYY= -9.3675 XXZZ= -9.3675
YYZZ= -9.3675
XXYZ= 0.0000 YYXZ= 0.0000 ZZXY= 0.0000
N-N= 0.000000000000D+00 E-N=-1.100629478722D+03 KE= 4.593012065057D+02
Symmetry AG KE= 3.236633861111D+02
Symmetry B1G KE= 2.739906143160D-61
Symmetry B2G KE= 3.111294684870D-61
Symmetry B3G KE= 2.462361374204D-61
Symmetry AU KE= 0.000000000000D+00
Symmetry B1U KE= 4.521260679820D+01
Symmetry B2U KE= 4.521260679820D+01
Symmetry B3U KE= 4.521260679820D+01
D1PCM: PCM CHGder 1st derivatives, ID1Alg=3 FixD1E=F DoIter=F DoCFld=F I1PDM=0.
Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=1 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1
NMatT=0.
***** Axes restored to original set *****
-------------------------------------------------------------------
Center Atomic Forces (Hartrees/Bohr)
Number Number X Y Z
-------------------------------------------------------------------
1 17 0.000000000 0.000000000 0.000000000
-------------------------------------------------------------------
Cartesian Forces: Max 0.000000000 RMS 0.000000000

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)
Mixed Optimization -- En-DIIS/RFO-DIIS
Second derivative matrix not updated -- first step.
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 ---
RFO step: Lambda=-9.39171177D-01 EMin=-9.39171174D-01
Mixed 0 eigenvectors in step. Raw Step.Grad= 0.00D+00.
RFO eigenvector is Hessian eigenvector with negative curvature.
Taking step of 0.00D+00 in eigenvector direction(s). Step.Grad= 0.00D+00.
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.
TrRot= 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
Variable Old X -DE/DX Delta X Delta X Delta X New X
(Linear) (Quad) (Total)
X1 -0.93917 0.00000 0.00000 0.00000 0.00000 -0.93917
Y1 0.11384 0.00000 0.00000 0.00000 0.00000 0.11384
Z1 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000
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

Input orientation:
---------------------------------------------------------------------
Center Atomic Atomic Coordinates (Angstroms)
Number Number Type X Y Z
---------------------------------------------------------------------
1 17 0 -0.496988 0.060241 0.000000
---------------------------------------------------------------------
Stoichiometry Cl(1-)
Framework group OH[O(Cl)]
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 17 0 0.000000 0.000000 0.000000
---------------------------------------------------------------------
1|1|UNPC-LAPTOP-T2A5HVJ6|FOpt|RTPSSh|Gen|Cl1(1-)|DIEGO|05-May-2021|0||
# opt freq gen scrf=(iefpcm,solvent=water) geom=connectivity tpssh||Cl
oro||-1,1|Cl,-0.49698798,0.06024096,0.||Version=IA32W-G09RevC.01|State
=1-A1G|HF=-460.4018456|RMSD=2.521e-009|RMSF=1.813e-018|Dipole=0.,0.,0.
|Quadrupole=0.,0.,0.,0.,0.,0.|PG=OH [O(Cl1)]||@

You can't act like a skunk without someone's getting wind of it.
-- Lorene Workman
Job cpu time: 0 days 0 hours 0 minutes 4.0 seconds.
File lengths (MBytes): RWF= 5 Int= 0 D2E= 0 Chk= 1 Scr=
1
 Normal termination of Gaussian 09 at Wed May 05 16:00:11 2021.
Link1: Proceeding to internal job step number 2.
------------------------------------------------------------------
#N Geom=AllCheck Guess=TCheck SCRF=Check GenChk RTPSSh/ChkBas Freq
------------------------------------------------------------------
1/10=4,29=7,30=1,38=1,40=1/1,3;
2/12=2,40=1/2;
3/5=7,6=2,11=2,14=-4,16=1,25=1,30=1,67=1,70=2,71=2,72=1,74=-35,82=7,116=1/1,2,3;
4/5=101/1;
5/5=2,53=1,98=1/2;
8/6=4,10=90,11=11/1;
11/6=1,8=1,9=11,15=111,16=1/1,2,10;
10/6=1/2;
6/7=2,8=2,9=2,10=2,18=1,28=1/1;
7/8=1,10=1,25=1/1,2,3,16;
1/10=4,30=1/3;
99//99;
Structure from the checkpoint file: C:\G09W\Scratch\gxx.chk
-----
Cloro
-----
Charge = -1 Multiplicity = 1
No Z-Matrix found in file; cartesian coordinates used.
Cl -0.496987980000
0.060240960000 0.000000000000
Recover connectivity data from disk.

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

Input orientation:
---------------------------------------------------------------------
Center Atomic Atomic Coordinates (Angstroms)
Number Number Type X Y Z
---------------------------------------------------------------------
1 17 0 -0.496988 0.060241 0.000000
---------------------------------------------------------------------
Stoichiometry Cl(1-)
Framework group OH[O(Cl)]
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 17 0 0.000000 0.000000 0.000000
---------------------------------------------------------------------
Basis read from chk: C:\G09W\Scratch\gxx.chk (5D, 7F)
There are 9 symmetry adapted basis functions of AG symmetry.
There are 2 symmetry adapted basis functions of B1G symmetry.
There are 2 symmetry adapted basis functions of B2G symmetry.
There are 2 symmetry adapted basis functions of B3G symmetry.
There are 0 symmetry adapted basis functions of AU symmetry.
There are 4 symmetry adapted basis functions of B1U symmetry.
There are 4 symmetry adapted basis functions of B2U symmetry.
There are 4 symmetry adapted basis functions of B3U symmetry.
Integral buffers will be 262144 words long.
Raffenetti 2 integral format.
Two-electron integral symmetry is turned on.
27 basis functions, 81 primitive gaussians, 29 cartesian basis functions
9 alpha electrons 9 beta electrons
nuclear repulsion energy 0.0000000000 Hartrees.
NAtoms= 1 NActive= 1 NUniq= 1 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F
------------------------------------------------------------------------------
Polarizable Continuum Model (PCM)
=================================
Model : PCM.
Atomic radii : UFF (Universal Force Field).
Polarization charges : Total charges.
Charge compensation : None.
Solution method : Matrix inversion.
Cavity type : Scaled VdW (van der Waals Surface) (Alpha=1.100).
Cavity algorithm : GePol (No added spheres)
Default sphere list used, NSphG= 1.
Lebedev-Laikov grids with approx. 5.0 points / Ang**2.
Smoothing algorithm: Karplus/York (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 Cl 1 1.974 1.100 0.000000 0.000000 0.000000
------------------------------------------------------------------------------
One-electron integrals computed using PRISM.
NBasis= 27 RedAO= T NBF= 9 2 2 2 0 4 4 4
NBsUse= 27 1.00D-06 NBFU= 9 2 2 2 0 4 4 4
Initial guess read from the checkpoint file: C:\G09W\Scratch\gxx.chk
B after Tr= 0.000000 0.000000 0.000000
Rot= 1.000000 0.000000 0.000000 0.000000 Ang= 0.00 deg.
Initial guess orbital symmetries:
Occupied (A1G) (A1G) (T1U) (T1U) (T1U) (A1G) (T1U) (T1U)
(T1U)
Virtual (A1G) (T1U) (T1U) (T1U) (EG) (EG) (T2G) (T2G)
(T2G) (T1U) (T1U) (T1U) (A1G) (EG) (EG) (T2G)
(T2G) (T2G)
Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
Requested convergence on MAX density matrix=1.00D-06.
Requested convergence on energy=1.00D-06.
No special actions if energy rises.
Keep R1 ints in memory in canonical form, NReq=3106856.
Error on total polarization charges = 0.03486
SCF Done: E(RTPSSh) = -460.401845618 A.U. after 1 cycles
Convg = 0.1057D-10 -V/T = 2.0024
Range of M.O.s used for correlation: 1 27
 NBasis= 27 NAE= 9 NBE= 9 NFC= 0 NFV= 0
NROrb= 27 NOA= 9 NOB= 9 NVA= 18 NVB= 18
Symmetrizing basis deriv contribution to polar:
IMax=3 JMax=2 DiffMx= 0.00D+00
G2DrvN: will do 2 centers at a time, making 1 passes doing MaxLOS=2.
Calling FoFCou, ICntrl= 3107 FMM=F I1Cent= 0 AccDes= 0.00D+00.
FoFDir/FoFCou used for L=0 through L=2.
G2PCM: DoFxE=T DoFxN=T DoGrad=T DoPD/DQ/DG=FFF NFrqRd= 0 IEInf=0 DoCFld=F
IF1Alg=4.
End of G2Drv Frequency-dependent properties file 721 does not exist.
End of G2Drv Frequency-dependent properties file 722 does not exist.
IDoAtm=1
NEqPCM: Using equilibrium solvation (IEInf=0, Eps= 78.3553, EpsInf= 1.7778)
Differentiating once with respect to electric field.
with respect to dipole field.
Differentiating once with respect to nuclear coordinates.
Keep R1 ints in memory in canonical form, NReq=915602.
CalDSu exits because no D1Ps are significant.
There are 6 degrees of freedom in the 1st order CPHF. IDoFFX=5.
3 vectors produced by pass 0 Test12= 2.70D-15 1.67D-08 XBig12= 1.66D+01
2.77D+00.
AX will form 3 AO Fock derivatives at one time.
3 vectors produced by pass 1 Test12= 2.70D-15 1.67D-08 XBig12= 2.09D+00
9.12D-01.
3 vectors produced by pass 2 Test12= 2.70D-15 1.67D-08 XBig12= 5.00D-03
4.11D-02.
3 vectors produced by pass 3 Test12= 2.70D-15 1.67D-08 XBig12= 1.06D-06
6.19D-04.
3 vectors produced by pass 4 Test12= 2.70D-15 1.67D-08 XBig12= 1.22D-10
5.82D-06.
3 vectors produced by pass 5 Test12= 2.70D-15 1.67D-08 XBig12= 1.42D-14
6.88D-08.
Inverted reduced A of dimension 18 with in-core refinement.
Isotropic polarizability for W= 0.000000 29.95 Bohr**3.
End of Minotr Frequency-dependent properties file 721 does not exist.
End of Minotr Frequency-dependent properties file 722 does not exist.

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

Population analysis using the SCF density.

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

Orbital symmetries:
Occupied (A1G) (A1G) (T1U) (T1U) (T1U) (A1G) (T1U) (T1U)
(T1U)
Virtual (A1G) (T1U) (T1U) (T1U) (EG) (EG) (T2G) (T2G)
(T2G) (T1U) (T1U) (T1U) (A1G) (EG) (EG) (T2G)
(T2G) (T2G)
The electronic state is 1-A1G.
Alpha occ. eigenvalues -- -101.28661 -9.27384 -7.01609 -7.01609 -7.01609
Alpha occ. eigenvalues -- -0.67433 -0.22849 -0.22849 -0.22849
Alpha virt. eigenvalues -- 0.06122 0.08010 0.08010 0.08010 0.35936
Alpha virt. eigenvalues -- 0.35936 0.35937 0.35937 0.35937 0.74938
Alpha virt. eigenvalues -- 0.74938 0.74938 0.98151 1.19516 1.19516
Alpha virt. eigenvalues -- 1.19516 1.19516 1.19516
Condensed to atoms (all electrons):
1
1 Cl 18.000000
 Mulliken atomic charges:
1
1 Cl -1.000000
Sum of Mulliken atomic charges = -1.00000
Mulliken charges with hydrogens summed into heavy atoms:
1
1 Cl -1.000000
Sum of Mulliken charges with hydrogens summed into heavy atoms = -1.00000
APT atomic charges:
1
1 Cl -1.000000
Sum of APT charges= -1.00000
APT Atomic charges with hydrogens summed into heavy atoms:
1
1 Cl -1.000000
Sum of APT charges= -1.00000
Electronic spatial extent (au): <R**2>= 37.7946
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= -16.9450 YY= -16.9450 ZZ= -16.9450
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= -28.1025 YYYY= -28.1025 ZZZZ= -28.1025
XXXY= 0.0000
XXXZ= 0.0000 YYYX= 0.0000 YYYZ= 0.0000
ZZZX= 0.0000
ZZZY= 0.0000 XXYY= -9.3675 XXZZ= -9.3675
YYZZ= -9.3675
XXYZ= 0.0000 YYXZ= 0.0000 ZZXY= 0.0000
N-N= 0.000000000000D+00 E-N=-1.100629478730D+03 KE= 4.593012065085D+02
Symmetry AG KE= 3.236633861116D+02
Symmetry B1G KE= 1.412552842335D-61
Symmetry B2G KE= 1.542368526689D-61
Symmetry B3G KE= 1.359073753682D-61
Symmetry AU KE= 0.000000000000D+00
Symmetry B1U KE= 4.521260679897D+01
Symmetry B2U KE= 4.521260679897D+01
Symmetry B3U KE= 4.521260679897D+01
Exact polarizability: 29.949 0.000 29.949 0.000 0.000 29.949
Approx polarizability: 29.964 0.000 29.964 0.000 0.000 29.964
D2PCM: PCM CHGder 2nd derivatives, FixD1E=F FixD2E=F DoIter=F DoCFld=F I1PDM=0
Calling FoFJK, ICntrl= 100127 FMM=F ISym2X=1 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1
NMatT=0.
Full mass-weighted force constant matrix:
Low frequencies --- -0.0002 -0.0002 -0.0002
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 17 and mass 34.96885
Molecular mass: 34.96885 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= -0.015023
Sum of electronic and zero-point Energies= -460.401846
Sum of electronic and thermal Energies= -460.400429
Sum of electronic and thermal Enthalpies= -460.399485
Sum of electronic and thermal Free Energies= -460.416868

E (Thermal) CV S
KCal/Mol Cal/Mol-Kelvin Cal/Mol-Kelvin
Total 0.889 2.981 36.586
Electronic 0.000 0.000 0.000
Translational 0.889 2.981 36.586
Rotational 0.000 0.000 0.000
Vibrational 0.000 0.000 0.000
Q Log10(Q) Ln(Q)
Total Bot 0.812788D+07 6.909977 15.910811
Total V=0 0.812788D+07 6.909977 15.910811
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 0.812788D+07 6.909977 15.910811
Rotational 0.100000D+01 0.000000 0.000000
***** Axes restored to original set *****
-------------------------------------------------------------------
Center Atomic Forces (Hartrees/Bohr)
Number Number X Y Z
-------------------------------------------------------------------
1 17 0.000000000 0.000000000 0.000000000
-------------------------------------------------------------------
Cartesian Forces: Max 0.000000000 RMS 0.000000000

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.
TrRot= 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
Variable Old X -DE/DX Delta X Delta X Delta X New X
(Linear) (Quad) (Total)
X1 -0.93917 0.00000 0.00000 0.00000 0.00000 -0.93917
Y1 0.11384 0.00000 0.00000 0.00000 0.00000 0.11384
Z1 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000
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

1|1|UNPC-LAPTOP-T2A5HVJ6|Freq|RTPSSh|Gen|Cl1(1-)|DIEGO|05-May-2021|0||
#N Geom=AllCheck Guess=TCheck SCRF=Check GenChk RTPSSh/ChkBas Freq||Cl
oro||-1,1|Cl,-0.49698798,0.06024096,0.||Version=IA32W-G09RevC.01|State
=1-A1G|HF=-460.4018456|RMSD=1.057e-011|RMSF=1.804e-017|Thermal=0.00141
63|Dipole=0.,0.,0.|DipoleDeriv=-1.,0.,0.,0.,-1.,0.,0.,0.,-1.|Polar=29.
9492756,0.,29.9492756,0.,0.,29.9492756|PG=OH [O(Cl1)]|NImag=0||0.,0.,0
.,0.,0.,0.||0.,0.,0.|||@

You can't act like a skunk without someone's getting wind of it.
-- Lorene Workman
Job cpu time: 0 days 0 hours 0 minutes 8.0 seconds.
File lengths (MBytes): RWF= 5 Int= 0 D2E= 0 Chk= 1 Scr=
1
Normal termination of Gaussian 09 at Wed May 05 16:00:19 2021.