%nprocshared=20
%mem=41GB
#p b3lyp genecp scrf=(solvent=dichloromethane,pcm) nosymm empiricaldispersion=gd3 scf=(xqc,maxcyc=1024)

single point

1 1
 C                  0.62132700   -2.18988600   -0.42568000
 C                 -0.59083200   -1.50750800   -0.30488600
 C                 -1.75308600   -2.16132200    0.10911100
 C                 -0.46818600   -4.21002800    0.29753200
 H                 -2.69493300   -1.62564200    0.19008800
 H                 -0.42430100   -5.26835300    0.53724200
 C                  1.73859400   -1.30747200   -0.92080700
 H                  1.96521300   -1.53040300   -1.96975000
 H                  2.66462800   -1.45620900   -0.35476900
 C                  1.29082800    0.17234400   -0.81266000
 H                  1.38915500    0.70167100   -1.75838400
 C                  1.87592600    0.97103600    0.28947400
 C                  2.38026700    2.19121800    0.01574500
 H                  2.84644900    2.79575800    0.78865900
 H                  2.37512100    2.59942000   -0.99084100
 C                  1.80935500    0.42127700    1.68327600
 H                  2.14750900   -0.61886200    1.73816100
 H                  2.39081400    1.02262600    2.38568100
 H                  0.76453200    0.41920500    2.03879000
 C                 -1.68249000   -3.52317400    0.41263600
 H                 -2.57439400   -4.04970700    0.73817700
 C                  0.68972600   -3.54874200   -0.12412900
 H                  1.63001700   -4.08562000   -0.21116400
 C                 -1.05000800    0.86119300    0.25177000
 H                 -1.44828300    0.54349500    1.21305800
 Br                -1.05820000    2.66045300   -0.02699500
 C                 -0.46268700   -0.05476200   -0.65826700
 H                 -0.71716900    0.19968100   -1.69525100

-C -H -P -O 0
6-311+G(d,p)
****
Br 0
LANL2DZ
D 1 1.0
0.428 1.0
****

Br 0
LANL2DZ



