%mem=3000MB
%nprocshared=4
#p opt=(calcfc,ts,noeigentest,maxstep=2) freq b3lyp/genecp
scrf=(smd,solvent=water) nosymm empiricaldispersion=gd3

ch3br-och3-ts_6311+Gd_new

-1 1
 C                  0.02278700    0.37448500   -0.06753600
 H                  0.20671200   -0.46023600   -0.71818300
 H                  0.28779200    0.30044900    0.97007100
 H                 -0.14276100    1.34645000   -0.49493800
 O                  2.15616300    0.82207500   -0.27872400
 Br                -2.24374600   -0.11008500    0.18676200
 C                  2.79020900   -0.39629300    0.00475000
 H                  2.50671900   -1.17946800   -0.72812200
 H                  2.47513800   -0.79445100    0.99125700
 C                  4.31600100   -0.28007400    0.00591600
 H                  4.64933600    0.44125200    0.76005500
 H                  4.78946600   -1.24475500    0.22617500
 H                  4.67933100    0.06083300   -0.96972900

-H -C -N -O -P -B -S -Al -Cl -F -He -Si 0
6-311+g*
****
Br     0
S   2   1.00
      1.1590000             -3.0378769
      0.7107000              3.3703735
S   1   1.00
      0.1905000              1.0000000
P   2   1.00
      2.6910000             -0.1189800
      0.4446000              1.0424471
P   1   1.00
      0.1377000              1.0000000
P   1   1.00
      0.0376                 1.0
D   1   1.00
      0.4340                 1.0
****

BR     0
BR-ECP     3     28
f potential
  4
1    213.6143969            -28.0000000
2     41.0585380           -134.9268852
2      8.7086530            -41.9271913
2      2.6074661             -5.9336420
s-f potential
  4
0     54.1980682              3.0000000
1     32.9053558             27.3430642
2     13.6744890            118.8028847
2      3.0341152             43.4354876
p-f potential
  5
0     54.2563340              5.0000000
1     26.0095593             25.0504252
2     28.2012995             92.6157463
2      9.4341061             95.8249016
2      2.5321764             26.2684983
d-f potential
  5
0     87.6328721              3.0000000
1     61.7373377             22.5533557
2     32.4385104            178.1241988
2      8.7537199             76.9924162
2      1.6633189              9.4818270



