%mem=10000MB
%nprocshared=12
#p freq b3lyp/genecp scrf=(smd,solvent=dichloromethane)
nosymm empiricaldispersion=gd3 scf=(maxcyc=1000,conver=8,nosym)

ch3i-och2ch3_6311+Gd__

-1 1
 C                 -1.00484900    0.07827700    0.04024200
 H                 -1.33555800   -0.87846200   -0.34713900
 H                 -0.47934000    0.65566600   -0.70809600
 H                 -0.42025200   -0.03378200    0.94487200
 I                 -2.82579800    1.18689700    0.59866300
 C                  2.36567400    0.13226300   -0.16289200
 H                  3.24030300    0.55346600   -0.73253900
 H                  1.80281900    1.05351300    0.16376300
 O                  1.61065500   -0.72784500   -0.89213600
 C                  2.95914600   -0.47546200    1.12890200
 H                  3.55602300    0.25350100    1.69813400
 H                  2.15613800   -0.84347000    1.77942800
 H                  3.60227500   -1.33026000    0.88446100

-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

