%mem=16000MB
%nprocshared=12
#p opt freq b3lyp/genecp scrf=(smd,solvent=dichloromethane)
empiricaldispersion=gd3 scf=(maxcyc=1000,conver=8,nosym)

ch3i-oh_6311+Gd

-1 1
 C	-1.236359000	 0.172758000	 0.002090000
 H	-1.542477000	-0.269143000	 0.949089000
 H	-1.612400000	 1.189577000	-0.100573000
 H	-1.536599000	-0.447815000	-0.840738000
 O	-4.808377000	-0.014194000	-0.033958000
 H	-5.773655000	 0.070728000	-0.120189000
 I	 0.935483000	 0.275605000	 0.001023000

-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