%mem=16000MB
%nprocshared=12
#p opt=maxstep=5 freq b3lyp/genecp scrf=(smd,solvent=dichloromethane)
nosymm empiricaldispersion=gd3

ch3br_cf3_6311+Gd

-1 1
 C                  2.17478000    0.00513700    0.14462100
 H                  1.88887700    0.83385000    0.78437700
 H                  1.83454900    0.15407000   -0.87527800
 H                  1.82631600   -0.94134100    0.54506900
 C                 -1.28769300    0.03455200    0.44812900
 F                 -1.10172300    1.03061400   -0.56772000
 F                 -1.08373000   -1.15383500   -0.33037300
 F                 -2.72070000    0.03163200    0.53075400
 Br                 4.08331782   -0.05810979    0.10483120

-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



