%mem=16000MB
%nprocshared=12
#p opt=(calcfc,ts,noeigentest,maxstep=4) freq b3lyp/genecp
scrf=(smd,solvent=dichloromethane) empiricaldispersion=gd3

ch3nhc-br-ts_6311+Gd1_new

-1 1
 C                 -0.49038300    0.00001400   -0.02701100
 H                 -0.40718500   -0.92780100   -0.56273400
 H                 -0.38017700    0.00066000    1.04120900
 H                 -0.40722600    0.92718700   -0.56384600
 N                  1.75083800    0.00001000   -0.08427700
 C                  2.56307900    1.09547900   -0.03103000
 C                  2.56305800   -1.09547500   -0.03103100
 C                  3.90516500    0.71121800    0.05266200
 H                  2.14612100    2.09627200   -0.05536700
 C                  3.90515200   -0.71123800    0.05266300
 H                  2.14608200   -2.09626100   -0.05537700
 H                  4.76611500    1.36777000    0.10336200
 H                  4.76609000   -1.36780800    0.10336100
 I                 -2.84463200   -0.00000200    0.01376600

-H -C -N -O -P -B -S -Al -Cl -F -He -Si -As -Se -Na 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

