%mem=20000MB
%nprocshared=12
#p opt=(calcfc,ts,noeigentest) freq=noraman b3lyp/genecp
scrf=(smd,solvent=water) empiricaldispersion=gd3

ch3c6h5-i-ts_6311+Gd

-1 1
 C                 -1.08319500    0.32438000    0.09236100
 H                 -0.84477000   -0.19573800    1.00453100
 H                 -1.06948200    1.40107800    0.13260400
 H                 -0.74294500   -0.12858600   -0.82322300
 C                  1.58153800    0.43601600    0.18945800
 C                  1.94372700   -0.92658400    0.14800100
 C                  2.66432300    1.33245000    0.05351600
 C                  3.26385700   -1.37370400   -0.00782800
 H                  1.16716300   -1.69082500    0.23800800
 C                  3.99561500    0.91629800   -0.10710700
 H                  2.48315000    2.40960400    0.07089000
 C                  4.30147800   -0.44640600   -0.13788500
 H                  3.48532400   -2.43943100   -0.03056500
 H                  4.79231000    1.65134200   -0.20885800
 H                  5.32811300   -0.77962700   -0.26168000
 I                 -3.27436900   -0.05150000   -0.04299400

-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

