%mem=3000MB
%nprocshared=4 
#p opt=maxstep=4 freq=noraman b3lyp/genecp scrf=(smd,solvent=water)
empiricaldispersion=gd3

ch3c6h5-br_6311+Gd

-1 1
 C                  0.55683600   -0.11362200   -0.12952400
 H                  0.12855400   -0.28477500    0.87893800
 H                  0.12834200    0.83016600   -0.51061200
 H                  0.21400900   -0.94051400   -0.77411900
 Br                -4.25157100    0.01780300    0.02432300
 C                  2.06324500   -0.04991300   -0.07748900
 C                  2.82740400   -1.22458500   -0.03686000
 C                  2.73573500    1.17978700   -0.03756300
 C                  4.22039200   -1.17684100    0.04826500
 H                  2.32191900   -2.18623500   -0.07331900
 C                  4.12869700    1.23326800    0.04756200
 H                  2.16559300    2.10447800   -0.07453700
 C                  4.87765800    0.05568100    0.09119600
 H                  4.78889800   -2.10185400    0.07702600
 H                  4.63254600    2.19523000    0.07149500
 H                  5.96100800    0.09265800    0.15040800

-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



