%mem=40000MB
%nprocshared=20
#p opt freq b3lyp/genecp scrf=(smd,solvent=dichloromethane) empiricaldispersion=gd3 scf=(maxcyc=1000,conver=8,nosym)

ch3Ts-i_6311+Gd_ch2cl2

-1 1
 C	-2.868827000	 0.651718000	-1.267001000
 C	-1.511518000	 0.648063000	-1.560947000
 C	-0.623253000	 1.170153000	-0.618355000
 C	-1.063858000	 1.678153000	 0.602671000
 C	-2.427741000	 1.667622000	 0.875326000
 C	-3.347972000	 1.161692000	-0.050522000
 H	-3.568917000	 0.252322000	-1.993357000
 H	-1.153681000	 0.251362000	-2.503300000
 H	-0.362782000	 2.064928000	 1.330968000
 H	-2.777292000	 2.053954000	 1.826567000
 C	-4.823708000	 1.186413000	 0.237497000
 H	-5.023044000	 1.213257000	 1.310531000
 H	-5.281814000	 2.077696000	-0.205088000
 H	-5.328359000	 0.317321000	-0.190563000
 S	 1.119344000	 1.122413000	-0.956578000
 O	 1.803704000	 2.108719000	-0.116546000
 O	 1.359040000	 1.126877000	-2.398788000
 O	 1.593235000	-0.367170000	-0.502040000
 C	 1.493798000	-0.708261000	 0.916931000
 H	 2.038862000	 0.016492000	 1.519220000
 H	 0.447419000	-0.757273000	 1.215455000
 H	 1.955204000	-1.689441000	 0.993151000
 I	-0.189037000	 0.533470000	 4.400963000

-H -C -N -O -P -B -S -Al -Cl -F -He -Si 0
6-311+g*
****
I     0
S   2   1.00
      0.7242000             -2.9731048
      0.4653000              3.4827643
S   1   1.00
      0.1336000              1.0000000
P   2   1.00
      1.2900000             -0.2092377
      0.3180000              1.1035347
P   1   1.00
      0.1053000              1.0000000
P   1   1.00
      0.0308                 1.0
D   1   1.00
      0.2940                 1.0
****

I     0
I-ECP     3     46
f potential
  5
0      1.0715702             -0.0747621
1     44.1936028            -30.0811224
2     12.9367609            -75.3722721
2      3.1956412            -22.0563758
2      0.8589806             -1.6979585
s-f potential
  5
0    127.9202670              2.9380036
1     78.6211465             41.2471267
2     36.5146237            287.8680095
2      9.9065681            114.3758506
2      1.9420086             37.6547714
p-f potential
  5
0     13.0035304              2.2222630
1     76.0331404             39.4090831
2     24.1961684            177.4075002
2      6.4053433             77.9889462
2      1.5851786             25.7547641
d-f potential
  5
0     40.4278108              7.0524360
1     28.9084375             33.3041635
2     15.6268936            186.9453875
2      4.1442856             71.9688361
2      0.9377235              9.3630657

