%mem=3000MB
%nprocshared=24
#p opt=(calcfc,ts,noeigentest,maxstep=5) freq=noraman b3lyp/genecp
scrf=(smd,solvent=water) nosymm empiricaldispersion=gd3

ch3nh3-br-ts_6311+Gd

0 1
 C                  1.03400500   -0.01669100    0.61070100
 H                  1.26860800   -0.02425300   -0.43878800
 H                  0.81365800    0.91680000    1.09710000
 H                  0.79901000   -0.94120200    1.10732000
 N                 -1.08272800   -0.00359900   -0.01947300
 Br                 3.29918600   -0.03076400    1.29208300
 H                 -1.16917778   -0.45667198   -0.90674484
 H                 -1.63521904   -0.48917982    0.65799650
 H                 -1.40219841    0.94098257   -0.09499992

-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



