%mem=40000MB
%nprocshared=20
#p opt=(ts,calcfc,noeigentest,maxstep=4) freq=noraman b3lyp/genecp scrf=(smd,solvent=dichloromethane) empiricaldispersion=gd3 nosymm

ch3br-Ts-ts_6311+Gd_ch2cl2

-1 1
 C	-2.863343000	 0.505081000	-1.115391000
 C	-1.513782000	 0.455212000	-1.448221000
 C	-0.596012000	 1.149843000	-0.660294000
 C	-1.010475000	 1.881099000	 0.451037000
 C	-2.365800000	 1.918871000	 0.768673000
 C	-3.311093000	 1.235664000	-0.005774000
 H	-3.580738000	-0.032496000	-1.727312000
 H	-1.183255000	-0.113892000	-2.309179000
 H	-0.290044000	 2.412193000	 1.061053000
 H	-2.691025000	 2.487428000	 1.633989000
 C	-4.777816000	 1.306083000	 0.324387000
 H	-4.940890000	 1.528156000	 1.381124000
 H	-5.263642000	 2.097989000	-0.256134000
 H	-5.286992000	 0.370014000	 0.083272000
 S	 1.152482000	 1.018814000	-1.029336000
 O	 1.822812000	 2.196395000	-0.432058000
 O	 1.306866000	 0.867987000	-2.492993000
 O	 1.620907000	-0.284209000	-0.347247000
 C	 1.377702000	-0.435192000	 1.542601000
 H	 1.784458000	 0.529216000	 1.790760000
 H	 0.312555000	-0.570106000	 1.485684000
 H	 2.018368000	-1.298387000	 1.571799000
 Br	 1.069061000	-0.758057000	 4.141018000

-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



