%mem=20000MB
%nprocshared=12
#p opt=(calcfc,ts,noeigentest,maxstep=4) freq=noraman b3lyp/genecp 
scrf=(smd,solvent=water) nosymm pop=full empiricaldispersion=gd3 volume

ch3i-Ts-ts_6311+Gd

-1 1
 C                 -2.87866200    0.51545600   -1.12471600
 C                 -1.52377700    0.45167900   -1.43239600
 C                 -0.61313300    1.12867600   -0.62117100
 C                 -1.03952000    1.85658200    0.48804100
 C                 -2.40004600    1.90780600    0.78031900
 C                 -3.33855000    1.24259900   -0.01784400
 H                 -3.59072600   -0.00781800   -1.75494200
 H                 -1.18364900   -0.11359400   -2.29205100
 H                 -0.32473600    2.37527500    1.11515500
 H                 -2.73502400    2.47357700    1.64370400
 C                 -4.81037300    1.32847400    0.28466900
 H                 -4.99124800    1.54353300    1.33994000
 H                 -5.27497400    2.13131200   -0.29818600
 H                 -5.32619600    0.40092100    0.02551600
 S                  1.13916600    0.98653500   -0.96273800
 O                  1.80765300    2.16396900   -0.36563300
 O                  1.31604500    0.81283500   -2.41949200
 O                  1.59475300   -0.31477700   -0.26077000
 C                  1.42611300   -0.42955500    1.58672700
 H                  1.88876900    0.51681000    1.80343400
 H                  0.35441200   -0.51481500    1.57831800
 H                  2.02513700   -1.32197800    1.59765800
 I                  1.26887023   -0.66579497    3.71791573

-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

