%mem=3000MB
%nprocshared=4 
#p opt=(ts,calcfc,noeigentest,maxstep=4) freq b3lyp/genecp scrf=(smd,solvent=water) empiricaldispersion=gd3 

ch3i-och2ch3-ts_6311+Gd-2

-1 1
 C                 -0.54945100    0.42776700   -0.03003500
 H                 -0.80046500    0.03996900    0.94583600
 H                 -0.78139100   -0.17103000   -0.89314400
 H                 -0.45775400    1.49299900   -0.15000500
 O                 -2.79905100    0.87946300   -0.11700600
 C                 -3.39000200   -0.37555800    0.09345600
 H                 -3.15321200   -0.77317000    1.10632300
 H                 -2.99436900   -1.13730600   -0.61821500
 C                 -4.91669700   -0.33752300   -0.05477700
 H                 -5.35983000   -1.32570400    0.11290900
 H                 -5.36427400    0.36250300    0.66570800
 H                 -5.20152400   -0.00586100   -1.06486600
 I                  1.87376000   -0.08353700    0.05551300

-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

