%mem=20000MB
%nprocshared=12
#p opt=(calcfc,ts,noeigentest,maxstep=8) scf=qc guess=always freq=noraman b3lyp/genecp
scrf=(smd,solvent=water) nosymm empiricaldispersion=gd3

ch3och2ch3-i-ts_6311+Gd

-1 1
 C                 -0.54947700    0.43775900   -0.01089700
 H                 -0.80469400   -0.01676500    0.94351500
 H                 -0.78219900   -0.10196800   -0.91683400
 H                 -0.45779400    1.51376600   -0.05084100
 O                 -2.79911600    0.88978600   -0.08956700
 C                 -3.38504500   -0.36010100    0.18704700
 H                 -3.25116100   -0.65027600    1.28196000
 H                 -2.88658600   -1.19853100   -0.41183200
 C                 -4.90661900   -0.35782400   -0.14130500
 H                 -5.41997629   -1.15795211    0.40368207
 H                 -5.39228820    0.62216439    0.13945044
 H                 -5.08667344   -0.52186256   -1.24440753
 I                  1.87375400   -0.08434900    0.04525700

-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

