%mem=3000MB
%nprocshared=4
#p opt=maxstep=8 freq=noraman b3lyp/genecp scrf=(smd,solvent=dichloromethane) empiricaldispersion=gd3 scf=(maxcyc=1000,conver=8,nosym)

ch3i-sch2ch3_6311+Gd__

-1 1
 C	-2.683996000	 0.156310000	-0.002288000
 H	-2.378698000	-0.589170000	-0.729371000
 H	-2.275409000	 1.131765000	-0.247241000
 H	-2.410387000	-0.141618000	 1.004976000
 I	-4.668539000	 0.295891000	-0.072992000
 S	 0.772127000	-0.596692000	 0.083805000
 C	 2.614825000	-0.422502000	-0.043251000
 H	 3.088983000	-0.981581000	 0.772652000
 H	 2.959436000	-0.889004000	-0.974212000
 C	 3.109666000	 1.023388000	-0.003397000
 H	 4.205501000	 1.076284000	-0.080094000
 H	 2.686216000	 1.606025000	-0.828347000
 H	 2.813609000	 1.514007000	 0.929926000

-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

