%mem=3000MB
%nprocshared=4
#p opt=(ts,calcfc,noeigentest,maxstep=8) freq=noraman b3lyp/genecp scrf=(smd,solvent=dichloromethane) empiricaldispersion=gd3 nosymm

ch3cooch3-br-ts_6311+Gd_new

-1 1
 O	 0.698864000	 1.961722000	-0.028573000
 O	 1.460973000	-0.128930000	-0.337388000
 C	 1.412712000	-0.389415000	 1.685390000
 H	 2.121837000	 0.404844000	 1.825509000
 H	 0.360509000	-0.176214000	 1.707231000
 H	 1.755497000	-1.391404000	 1.503760000
 Br	 1.387805000	-0.824782000	 4.140650000
 C	 1.071663000	 1.019241000	-0.762287000
 C	 1.046652000	 1.185856000	-2.272879000
 H	 1.837870000	 0.607509000	-2.751913000
 H	 0.086889000	 0.814249000	-2.646371000
 H	 1.134315000	 2.237263000	-2.549313000

-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



