%mem=3000MB
%nprocshared=4
#p opt=(calcfc,ts,noeigentest,maxstep=5) freq b3lyp/genecp
scrf=(smd,solvent=water) nosymm empiricaldispersion=gd3

ch3nch33-i-ts_6311+Gd

0 1
 C                  0.01827900    0.08799700    0.04394000
 H                  0.11765200   -0.06534900   -1.01702500
 H                 -0.00454100    1.08887100    0.43990000
 H                 -0.20679900   -0.74624600    0.68605500
 N                 -2.04191900    0.27161900   -0.27496700
 C                 -2.50131200   -0.98332200   -0.87638200
 H                 -1.97632900   -1.15197200   -1.81848800
 H                 -2.28521700   -1.81391400   -0.20182700
 H                 -3.58109500   -0.96222000   -1.07420800
 C                 -2.24082000    1.40863000   -1.17800200
 H                 -1.83682500    2.31414400   -0.72151100
 H                 -1.71602100    1.22635300   -2.11768000
 H                 -3.30535800    1.56825300   -1.39428600
 C                 -2.66302400    0.50383500    1.03175100
 H                 -2.44734900   -0.33613100    1.69464000
 H                 -2.25399500    1.41345300    1.47545300
 H                 -3.75206600    0.61337700    0.94501000
 I                  2.08550604   -0.09814338    0.36319558

-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

