%mem=3000MB
%nprocshared=4 
#p opt=maxstep=4 freq b3lyp/genecp scrf=(smd,solvent=water) nosymm
empiricaldispersion=gd3

ch3i-c6h5_6311+Gd

-1 1
 C                  2.14266900   -0.03369400    0.14766800
 H                  1.77621300    0.79938300    0.74531200
 H                  1.78776500    0.03560900   -0.87939500
 H                  1.86393700   -0.98653400    0.59511700
 C                 -1.25934997    0.15879332    0.28459066
 C                 -2.04789215    1.27954794    0.54647180
 C                 -3.43733268    1.16276033    0.57868072
 C                 -4.03888498   -0.07499174    0.34776693
 C                 -3.25048683   -1.19533730    0.08548620
 C                 -1.86059635   -1.07854527    0.05427755
 H                 -1.57354542    2.25474329    0.72876553
 H                 -4.05891087    2.04597888    0.78571226
 H                 -5.13443031   -0.16681870    0.37315561
 H                 -3.72428102   -2.17096853   -0.09654949
 H                 -1.23925986   -1.96194141   -0.15231684
 I                  4.23973889    0.07103496    0.11120279

-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

