 Default is to use a total of   8 processors:
                                8 via shared-memory
                                1 via Linda
 Entering Link 1 = D:\study\G16W\l1.exe PID=     18552.
  
 Copyright (c) 1988-2017, 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.),
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 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.),
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 Carnegie Mellon University). Gaussian is a federally registered
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 Cite this work as:
 Gaussian 16, Revision B.01,
 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:  EM64W-G16RevB.01 16-Dec-2017
                13-Apr-2025 
 ******************************************
 %chk=D:\CH3Cl_Q.chk
 -------------------------------
 # wb97xd/def2TZVP nosymm charge
 -------------------------------
 1/18=10,28=-2,38=1,125=101,172=1/1;
 2/12=2,15=1,17=6,18=5,40=1/2;
 3/5=44,7=101,11=2,25=1,30=1,74=-58/1,2,3;
 4//1;
 5/5=2,38=5/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 99/5=1,9=1/99;
 ------------------------------
 Opted at B3LYP/def2-TZVP level
 ------------------------------
 Symbolic Z-matrix:
 Charge =  0 Multiplicity = 1
 C                     0.        0.       -1.13395 
 H                     0.        1.03085  -1.47626 
 H                    -0.89274  -0.51543  -1.47626 
 H                     0.89274  -0.51543  -1.47626 
 Cl                    0.        0.        0.66073 
 
 Background charge distribution read from input stream:
 Point Charges:
 XYZ=    0.0000    0.0000   -4.1340 Q=   -0.1000 A=    0.0000 R=    0.0000 C=    0.0000
 Pt Chg Charge=             -0.1000 electrons
 Pt Chg Dipole moment (Debye):
    X=              0.0000    Y=              0.0000    Z=              1.9856  Tot=              1.9856
 Pt Chg Quadrupole moment (Debye-Ang):
   XX=              0.0000   YY=              0.0000   ZZ=             -8.2085
   XY=              0.0000   XZ=              0.0000   YZ=              0.0000
 Pt Chg Traceless Quadrupole moment (Debye-Ang):
   XX=              2.7362   YY=              2.7362   ZZ=             -5.4723
   XY=              0.0000   XZ=              0.0000   YZ=              0.0000
 Pt Chg Octapole moment (Debye-Ang**2):
  XXX=              0.0000  YYY=              0.0000  ZZZ=             33.9334  XYY=              0.0000
  XXY=              0.0000  XXZ=              0.0000  XZZ=              0.0000  YZZ=              0.0000
  YYZ=              0.0000  XYZ=              0.0000
 Pt Chg Hexadecapole moment (Debye-Ang**3):
 XXXX=              0.0000 YYYY=              0.0000 ZZZZ=           -140.2790 XXXY=              0.0000
 XXXZ=              0.0000 YYYX=              0.0000 YYYZ=              0.0000 ZZZX=              0.0000
 ZZZY=              0.0000 XXYY=              0.0000 XXZZ=              0.0000 YYZZ=              0.0000
 XXYZ=              0.0000 YYXZ=              0.0000 ZZXY=              0.0000
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.000000    0.000000   -1.133952
      2          1           0        0.000000    1.030851   -1.476258
      3          1           0       -0.892743   -0.515426   -1.476258
      4          1           0        0.892743   -0.515426   -1.476258
      5         17           0        0.000000    0.000000    0.660734
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  H    1.086199   0.000000
     3  H    1.086199   1.785487   0.000000
     4  H    1.086199   1.785487   1.785486   0.000000
     5  Cl   1.794686   2.372633   2.372633   2.372633   0.000000
 Symmetry turned off by external request.
 Stoichiometry    CH3Cl
 Framework group  C3[C3(CCl),X(H3)]
 Deg. of freedom     3
 Full point group                 C3      NOp   3
 Rotational constants (GHZ):         157.2964579          13.1659960          13.1659955
 Standard basis: def2TZVP (5D, 7F)
    86 basis functions,   144 primitive gaussians,    96 cartesian basis functions
    13 alpha electrons       13 beta electrons
       nuclear repulsion energy        51.1086381841 Hartrees.
 NAtoms=    5 NActive=    5 NUniq=    5 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 off.
 Self energy of the charges =         0.0000000000 a.u.
 MM   energy of the charges =         0.0000000000 a.u.
 Nuclei-charges interaction =        -0.3491509838 a.u.
 Nuclear repulsion after external point charges =       50.7594872003 Hartrees.
 Nuclear repulsion after empirical dispersion term =       50.7590370130 Hartrees.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=     666 NPrTT=    2212 LenC2=     666 LenP2D=    1966.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 NBasis=    86 RedAO= T EigKep=  1.85D-03  NBF=    86
 NBsUse=    86 1.00D-06 EigRej= -1.00D+00 NBFU=    86
 ExpMin= 9.52D-02 ExpMax= 6.95D+04 ExpMxC= 2.37D+03 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 Harris functional with IExCor= 4639 and IRadAn=       5 diagonalized for initial guess.
 HarFok:  IExCor= 4639 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
 Symmetry not used in FoFCou.
 Keep R1 ints in memory in canonical form, NReq=21378199.
 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.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 SCF Done:  E(RwB97XD) =  -500.125969558     A.U. after   12 cycles
            NFock= 12  Conv=0.85D-08     -V/T= 2.0018

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

            Population analysis using the SCF Density.

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

 Alpha  occ. eigenvalues -- -101.66912 -10.32554  -9.55456  -7.30113  -7.29220
 Alpha  occ. eigenvalues --   -7.29220  -0.93422  -0.75951  -0.52275  -0.52275
 Alpha  occ. eigenvalues --   -0.47936  -0.36722  -0.36722
 Alpha virt. eigenvalues --    0.11129   0.14891   0.19539   0.19539   0.26838
 Alpha virt. eigenvalues --    0.30190   0.30190   0.37714   0.44662   0.44662
 Alpha virt. eigenvalues --    0.47950   0.49779   0.49779   0.55391   0.55391
 Alpha virt. eigenvalues --    0.57368   0.57368   0.57821   0.74296   0.91154
 Alpha virt. eigenvalues --    0.91154   1.03380   1.03380   1.03958   1.13643
 Alpha virt. eigenvalues --    1.53349   1.57078   1.57078   1.59898   1.76140
 Alpha virt. eigenvalues --    1.82700   1.82700   1.87955   1.87955   1.92149
 Alpha virt. eigenvalues --    1.92149   1.92206   2.03302   2.03302   2.03552
 Alpha virt. eigenvalues --    2.17446   2.19906   2.20304   2.32241   2.32241
 Alpha virt. eigenvalues --    2.35877   2.35877   2.37079   2.39920   2.39920
 Alpha virt. eigenvalues --    2.63402   2.63403   2.85693   2.87772   2.87772
 Alpha virt. eigenvalues --    3.10423   3.10424   3.13720   3.44392   3.48059
 Alpha virt. eigenvalues --    3.48060   3.59481   3.65808   3.65808   4.16250
 Alpha virt. eigenvalues --    4.26683   4.26684   4.49303  10.84864  10.84864
 Alpha virt. eigenvalues --   11.30419  22.12625  25.05986
          Condensed to atoms (all electrons):
               1          2          3          4          5
     1  C    4.752308   0.410495   0.410495   0.410495   0.271464
     2  H    0.410495   0.534256  -0.025384  -0.025384  -0.034498
     3  H    0.410495  -0.025384   0.534255  -0.025384  -0.034498
     4  H    0.410495  -0.025384  -0.025384   0.534255  -0.034498
     5  Cl   0.271464  -0.034498  -0.034498  -0.034498  16.998323
 Mulliken charges:
               1
     1  C   -0.255256
     2  H    0.140515
     3  H    0.140517
     4  H    0.140517
     5  Cl  -0.166292
 Sum of Mulliken charges =   0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.166292
     5  Cl  -0.166292
 Electronic spatial extent (au):  <R**2>=            131.3518
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.0000    Y=              0.0000    Z=             -2.1583  Tot=              2.1583
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -19.7394   YY=            -19.7394   ZZ=            -17.7729
   XY=              0.0000   XZ=              0.0000   YZ=              0.0000
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -0.6555   YY=             -0.6555   ZZ=              1.3110
   XY=              0.0000   XZ=              0.0000   YZ=              0.0000
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=              0.0000  YYY=              0.8293  ZZZ=              1.0118  XYY=              0.0000
  XXY=             -0.8293  XXZ=             -0.9873  XZZ=              0.0000  YZZ=              0.0000
  YYZ=             -0.9873  XYZ=              0.0000
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=            -27.8768 YYYY=            -27.8768 ZZZZ=           -114.9993 XXXY=              0.0000
 XXXZ=              0.0000 YYYX=              0.0000 YYYZ=             -1.2527 ZZZX=              0.0000
 ZZZY=              0.0000 XXYY=             -9.2923 XXZZ=            -23.7531 YYZZ=            -23.7531
 XXYZ=              1.2527 YYXZ=              0.0000 ZZXY=              0.0000
 N-N= 5.075903701297D+01 E-N=-1.289046670691D+03  KE= 4.992409355665D+02

 Test job not archived.
 1|1|UNPC-ROG|SP|RwB97XD|def2TZVP|C1H3Cl1|SOBEREVA|13-Apr-2025|0||# wb9
 7xd/def2TZVP nosymm charge||Opted at B3LYP/def2-TZVP level||0,1|C,0,0.
 ,0.,-1.133952|H,0,0.,1.030851,-1.476258|H,0,-0.892743,-0.515426,-1.476
 258|H,0,0.892743,-0.515426,-1.476258|Cl,0,0.,0.,0.660734||Version=EM64
 W-G16RevB.01|HF=-500.1259696|RMSD=8.519e-009|Dipole=0.,0.0000063,-0.84
 91529|Quadrupole=-0.4873487,-0.487344,0.9746928,0.,0.,-0.000005|PG=C03
  [C3(C1Cl1),X(H3)]||@


 GARLIC THEN HAVE POWER TO SAVE FROM DEATH
 BEAR WITH IT THOUGH IT MAKETH UNSAVORY BREATH,
 AND SCORN NOT GARLIC LIKE SOME THAT THINK
 IT ONLY MAKETH MEN WINK AND DRINK AND STINK.
   --  SIR JOHN HARRINGTON,
       "THE ENGLISHMAN'S DOCTOR", 1609
 Job cpu time:       0 days  0 hours  0 minutes  6.0 seconds.
 Elapsed time:       0 days  0 hours  0 minutes  5.4 seconds.
 File lengths (MBytes):  RWF=      6 Int=      0 D2E=      0 Chk=      2 Scr=      1
 Normal termination of Gaussian 16 at Sun Apr 13 07:33:17 2025.
