%mem=10000MB
%nprocshared=12
#p opt=maxstep=3 freq b3lyp/genecp scrf=(smd,solvent=dichloromethane)
nosymm empiricaldispersion=gd3

ch3br-och3_6311+Gd

-1 1
 C                 -1.24908200    0.06548600   -0.07496100
 H                 -1.28289700   -0.80635700   -0.71747300
 H                 -0.83755900    0.92596100   -0.58480200
 H                 -0.73638100   -0.13513800    0.85713900
 C                  1.95861400    0.71525600    0.35736700
 H                  2.07124100    0.12110300    1.30626500
 H                  2.96146200    1.20576300    0.22897000
 H                  1.28350200    1.56555500    0.65432000
 O                  1.53405100   -0.00032200   -0.71672200
 Br                -3.06053175    0.47226838    0.37367907

-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



