 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=     20588.
  
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 This is part of the Gaussian(R) 16 program.  It is based on
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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
                28-May-2021 
 ******************************************
 %chk=C:\CH3_2.chk
 -----------------------
 # rob3lyp/6-31G* nosymm
 -----------------------
 1/38=1,172=1/1;
 2/12=2,15=1,17=6,18=5,40=1/2;
 3/5=1,6=6,7=1,11=2,25=1,30=1,74=-5,116=101/1,2,3;
 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;
 ----
 test
 ----
 Symbolic Z-matrix:
 Charge =  0 Multiplicity = 2
 C                     0.        0.       -0.76537 
 H                     0.51059  -0.88423  -1.16422 
 H                    -1.02106  -0.00007  -1.16422 
 H                     0.51047   0.8843   -1.16422 
 
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.000000    0.000000   -0.765370
      2          1           0        0.510586   -0.884229   -1.164217
      3          1           0       -1.021058   -0.000066   -1.164217
      4          1           0        0.510471    0.884295   -1.164217
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4
     1  C    0.000000
     2  H    1.096192   0.000000
     3  H    1.096193   1.768524   0.000000
     4  H    1.096192   1.768524   1.768524   0.000000
 Symmetry turned off by external request.
 Stoichiometry    CH3(2)
 Framework group  C3V[C3(C),3SGV(H)]
 Deg. of freedom     2
 Full point group                 C3V     NOp   6
 Rotational constants (GHZ):         257.8134812         257.8133108         160.3283041
 Standard basis: 6-31G(d) (6D, 7F)
    21 basis functions,    40 primitive gaussians,    21 cartesian basis functions
     5 alpha electrons        4 beta electrons
       nuclear repulsion energy         9.5870001433 Hartrees.
 NAtoms=    4 NActive=    4 NUniq=    4 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.
 One-electron integrals computed using PRISM.
 NBasis=    21 RedAO= T EigKep=  2.25D-02  NBF=    21
 NBsUse=    21 1.00D-06 EigRej= -1.00D+00 NBFU=    21
 ExpMin= 1.61D-01 ExpMax= 3.05D+03 ExpMxC= 4.57D+02 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
 Symmetry not used in FoFCou.
 Keep R1 and R2 ints in memory in canonical form, NReq=6958641.
 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(ROB3LYP) =  -39.8237672590     A.U. after   11 cycles
            NFock= 11  Conv=0.43D-08     -V/T= 2.0102
 <Sx>= 0.0000 <Sy>= 0.0000 <Sz>= 0.5000 <S**2>= 0.7500 S= 0.5000
 <L.S>= 0.000000000000E+00
 Annihilation of the first spin contaminant:
 S**2 before annihilation     0.7500,   after     0.7500

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

            Population analysis using the SCF Density.

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

 Alpha  occ. eigenvalues --  -10.19420  -0.66596  -0.39259  -0.39259  -0.11244
 Alpha virt. eigenvalues --    0.12173   0.17288   0.17288   0.53426   0.53426
 Alpha virt. eigenvalues --    0.55622   0.85877   0.88170   0.88170   0.97416
 Alpha virt. eigenvalues --    1.65836   1.65836   1.86138   2.23724   2.23724
 Alpha virt. eigenvalues --    4.07995
          Condensed to atoms (all electrons):
               1          2          3          4
     1  C    5.360090   0.367233   0.367233   0.367233
     2  H    0.367233   0.555353  -0.038258  -0.038258
     3  H    0.367233  -0.038258   0.555353  -0.038258
     4  H    0.367233  -0.038258  -0.038258   0.555353
          Atomic-Atomic Spin Densities.
               1          2          3          4
     1  C    1.004188  -0.009421  -0.009421  -0.009421
     2  H   -0.009421   0.011969   0.002739   0.002739
     3  H   -0.009421   0.002739   0.011969   0.002739
     4  H   -0.009421   0.002739   0.002739   0.011969
 Mulliken charges and spin densities:
               1          2
     1  C   -0.461789   0.975924
     2  H    0.153930   0.008025
     3  H    0.153930   0.008025
     4  H    0.153930   0.008025
 Sum of Mulliken charges =   0.00000   1.00000
 Mulliken charges and spin densities with hydrogens summed into heavy atoms:
               1          2
     1  C    0.000000   1.000000
 Electronic spatial extent (au):  <R**2>=             54.5415
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.0000    Y=              0.0000    Z=             -0.6946  Tot=              0.6946
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -7.4793   YY=             -7.4793   ZZ=             -6.9659
   XY=              0.0000   XZ=              0.0000   YZ=              0.0000
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -0.1711   YY=             -0.1711   ZZ=              0.3423
   XY=              0.0000   XZ=              0.0000   YZ=              0.0000
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             -0.4913  YYY=              0.0001  ZZZ=             19.5289  XYY=              0.4913
  XXY=             -0.0001  XXZ=              6.0914  XZZ=              0.0000  YZZ=              0.0000
  YYZ=              6.0914  XYZ=              0.0000
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=            -14.4081 YYYY=            -14.4081 ZZZZ=            -44.5249 XXXY=              0.0000
 XXXZ=              0.7141 YYYX=              0.0000 YYYZ=             -0.0001 ZZZX=              0.0000
 ZZZY=              0.0000 XXYY=             -4.8027 XXZZ=             -9.0319 YYZZ=             -9.0319
 XXYZ=              0.0001 YYXZ=             -0.7141 ZZXY=              0.0000
 N-N= 9.587000143280D+00 E-N=-1.108882925874D+02  KE= 3.942189315751D+01
                          Isotropic Fermi Contact Couplings
        Atom                 a.u.       MegaHertz       Gauss      10(-4) cm-1
     1  C(13)              0.32887     369.71113     131.92212     123.32236
     2  H(1)               0.00654      29.21716      10.42541       9.74580
     3  H(1)               0.00654      29.21717      10.42541       9.74580
     4  H(1)               0.00654      29.21714      10.42540       9.74579
 --------------------------------------------------------
       Center         ----  Spin Dipole Couplings  ----
                      3XX-RR        3YY-RR        3ZZ-RR
 --------------------------------------------------------
     1   Atom       -0.484955     -0.484955      0.969910
     2   Atom       -0.027991      0.025491      0.002500
     3   Atom        0.052244     -0.054744      0.002500
     4   Atom       -0.028003      0.025503      0.002500
 --------------------------------------------------------
                        XY            XZ            YZ
 --------------------------------------------------------
     1   Atom        0.000000      0.000000      0.000000
     2   Atom       -0.046330     -0.014028      0.024294
     3   Atom        0.000007      0.028054      0.000002
     4   Atom        0.046324     -0.014025     -0.024296
 --------------------------------------------------------


 ---------------------------------------------------------------------------------
              Anisotropic Spin Dipole Couplings in Principal Axis System
 ---------------------------------------------------------------------------------

       Atom             a.u.   MegaHertz   Gauss  10(-4) cm-1        Axes

              Baa    -0.4850   -65.076   -23.221   -21.707 -0.1358  0.9907  0.0000
     1 C(13)  Bbb    -0.4850   -65.076   -23.221   -21.707  0.9907  0.1358  0.0000
              Bcc     0.9699   130.153    46.442    43.414  0.0000  0.0000  1.0000
 
              Baa    -0.0547   -29.209   -10.422    -9.743  0.8660  0.5001  0.0000
     2 H(1)   Bbb    -0.0101    -5.399    -1.927    -1.801  0.2051 -0.3553  0.9120
              Bcc     0.0649    34.608    12.349    11.544 -0.4560  0.7898  0.4102
 
              Baa    -0.0547   -29.209   -10.422    -9.743 -0.0001  1.0000  0.0000
     3 H(1)   Bbb    -0.0101    -5.399    -1.927    -1.801 -0.4102  0.0000  0.9120
              Bcc     0.0649    34.608    12.349    11.544  0.9120  0.0001  0.4102
 
              Baa    -0.0547   -29.209   -10.422    -9.743  0.8661 -0.4999  0.0000
     4 H(1)   Bbb    -0.0101    -5.399    -1.927    -1.801  0.2051  0.3553  0.9120
              Bcc     0.0649    34.608    12.349    11.544  0.4559  0.7898 -0.4102
 

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

 1|1|UNPC-GP76|SP|ROB3LYP|6-31G(d)|C1H3(2)|SOBEREVA|28-May-2021|0||# ro
 b3lyp/6-31G* nosymm||test||0,2|C,0,0.,0.,-0.76537|H,0,0.510586,-0.8842
 29,-1.164217|H,0,-1.021058,-0.000066,-1.164217|H,0,0.510471,0.884295,-
 1.164217||Version=EM64W-G16RevB.01|HF=-39.8237673|RMSD=4.294e-009|Dipo
 le=0.,0.0000001,-0.2732638|Quadrupole=-0.1272422,-0.1272412,0.2544834,
 -0.0000005,0.0000004,-0.0000002|PG=C03V [C3(C1),3SGV(H1)]||@


 THE BEST WAY TO CONVINCE A FOOL THAT HE IS WRONG 
 IS TO LET HIM HAVE HIS OWN WAY.

                                         JOSH BILLINGS
 Job cpu time:       0 days  0 hours  0 minutes  2.0 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 Fri May 28 08:37:29 2021.
