%mem=40000MB
%nprocshared=24
#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                  2.25365900   -0.86117300   -0.97905100
 C                  0.89400100   -1.15254600   -0.94978300
 C                  0.10537500   -0.67820900    0.10110800
 C                  0.68089500    0.08141400    1.11425600
 C                  2.04749800    0.36695800    1.07574200
 C                  2.85474300   -0.09730300    0.03324900
 H                  2.86056500   -1.23121600   -1.80100200
 H                  0.44745200   -1.74268400   -1.74295000
 H                  0.06280500    0.45101300    1.92368300
 H                  2.48734100    0.96348100    1.86995800
 C                  4.33459800    0.18958500   -0.00184000
 H                  4.60902000    0.97970100    0.70100900
 H                  4.91268700   -0.70307900    0.26231200
 H                  4.65867000    0.49636100   -1.00067800
 S                 -1.67619000   -1.02479700    0.09992700
 O                 -2.19593600   -0.44940400    1.37236000
 O                 -1.79543800   -2.50856700    0.02171800
 O                 -2.20305500   -0.33373900   -1.11364300
 C                 -1.45153000    2.52801500   -0.51902700
 H                 -2.24759800    2.61737200   -1.25679100
 H                 -0.59126400    2.00795200   -0.93419100
 H                 -1.80885700    2.03379400    0.38137700
 I                 -0.84017817    4.46842110    0.00161981

-H -C -N -O -P -B -S -Al -Cl -F -He -Si -As -Se 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

