%mem=16000MB
%nprocshared=12
#p opt=(calcfc,ts,noeigentest,maxstep=4) freq b3lyp/genecp
scrf=(smd,solvent=dichloromethane) empiricaldispersion=gd3

ch3br-sime3-ts_6311+Gd_new

-1 1
 C                  0.80274400    0.00118100    0.45969900
 H                  0.54565300   -1.03270400    0.29123900
 H                  0.44147200    0.70938500   -0.26989300
 H                  0.78897800    0.33154700    1.48673300
 Si                -2.23846300   -0.00209400    0.30653600
 C                 -2.10742200   -1.22812300   -1.18930200
 H                 -1.21552200   -1.02877500   -1.79678300
 H                 -2.03864800   -2.27242200   -0.85867000
 H                 -2.97984200   -1.15477700   -1.85696600
 C                 -4.02390000   -0.42031400    0.94592300
 H                 -4.07604100   -1.42264400    1.38916100
 H                 -4.36019100    0.28536000    1.71580300
 H                 -4.75966300   -0.38628400    0.12704000
 C                 -2.58559100    1.65340700   -0.64259600
 H                 -2.84029900    2.47363300    0.04045700
 H                 -1.71109100    1.98128600   -1.21904800
 H                 -3.42188500    1.54744300   -1.35115600
 I                  2.98430200   -0.00110400    0.01623600

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

