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

ch3nhc-br-ts_6311+Gd_frozen_new

-1 1
 C                 -0.45095500    0.00644800   -0.00927700
 H                 -0.38251200   -0.91826000   -0.55346600
 H                 -0.37309700   -0.00204500    1.06256100
 H                 -0.38554500    0.94027400   -0.53836300
 Br                -2.87163000   -0.00100300    0.00576300
 N                  1.94884051    0.00589491   -0.04060137
 C                  2.76565251    1.07843691   -0.01694037
 C                  2.75417551   -1.07535209   -0.01731037
 C                  4.15979951    0.67638291    0.02076163
 H                  2.37022551    2.08624391   -0.02601137
 C                  4.15251951   -0.68827609    0.02071463
 H                  2.34808151   -2.07891609   -0.02712837
 H                  5.00739051    1.34628091    0.04309463
 H                  4.99290351   -1.36720309    0.04277063

-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



