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

ch3br-ncch3_6311+Gd__

0 1
 C	 0.663586000	-0.029198000	 0.019469000
 H	 0.316673000	-0.432162000	 0.978545000
 H	 0.434136000	 1.041972000	-0.030373000
 H	 0.132778000	-0.544398000	-0.793480000
 Br	 2.223316000	-0.256212000	-0.130992000
 N	-2.328177000	 0.429512000	 0.337671000
 C	-2.969857000	-0.033489000	-0.880136000
 H	-2.604650000	 0.539973000	-1.737430000
 H	-2.727170000	-1.085098000	-1.050189000
 H	-4.073082000	 0.062013000	-0.849588000
 C	-2.704908000	-0.375695000	 1.488369000
 H	-2.444722000	-1.423942000	 1.313201000
 H	-2.161571000	-0.038349000	 2.376039000
 H	-3.788535000	-0.325497000	 1.712678000
 C	-2.561454000	 1.846392000	 0.567252000
 H	-2.003663000	 2.179563000	 1.447562000
 H	-2.212477000	 2.427355000	-0.291634000
 H	-3.630815000	 2.086012000	 0.729189000

-H -C -N -O -P -B -S -Al -Cl -F -He -Si -As -Se 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

