%mem=3000MB
%nprocshared=12
#p opt=(calcfc,ts,noeigentest,maxstep=5) freq=noraman b3lyp/genecp
scrf=(smd,solvent=water) nosymm empiricaldispersion=gd3

ch3ph3-br-ts_6311+Gd

0 1
 C                  1.20327100   -0.01748800    0.66622300
 H                  1.49383600    0.27395600   -0.32780200
 H                  0.98571100    0.73364300    1.40510600
 H                  1.11745200   -1.06000500    0.91810400
 Br                 3.60818200   -0.03363700    1.37081700
 H                 -1.50740300   -0.81418600   -1.12870600
 H                 -2.12757500   -0.40498000    0.89149000
 H                 -1.70663700    1.22021700   -0.45583200
 P                 -1.14169200   -0.00209800   -0.03420500

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



