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

ch3br-oTs_6311+Gd

-1 1
 C                  2.71791600   -0.20773300   -0.15181200
 H                  2.23752400    0.32687000   -0.99434900
 H                  2.75701400   -1.30660000   -0.33506400
 H                  2.21931600    0.01663400    0.78752700
 Br                 4.62886400    0.45414400    0.03072000
 O                 -0.06085200   -2.00043400   -0.44448500
 S                 -1.48576900   -2.00082400    0.00902700
 C                 -2.03741100   -0.28342900   -0.03376100
 O                 -2.39500200   -2.75117100   -0.92224300
 O                 -1.62927900   -2.45948600    1.43128200
 C                 -1.10837200    0.75378500   -0.07584700
 C                 -3.41308200   -0.00334600    0.04290400
 C                 -1.55206300    2.07251400   -0.07029500
 H                 -0.04883900    0.53457400   -0.13651500
 C                 -3.83938200    1.31464800    0.05888400
 H                 -4.13822900   -0.81062400    0.08554800
 C                 -2.92216900    2.37972400    0.00192600
 H                 -0.83309300    2.87756400   -0.10895200
 H                 -4.90364000    1.53017200    0.10651100
 C                 -3.40378500    3.80243000    0.00051800
 H                 -3.98565300    4.02554900   -0.90342000
 H                 -4.07405200    4.00215000    0.85472400
 H                 -2.57710700    4.51901100    0.04283800

-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



