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

single point

1 1
 C                  1.79051500    1.95829700   -0.76830700
 C                  0.81958600    0.99473000   -0.51746500
 C                  1.21254800   -0.14588900    0.29825000
 C                  2.55910300   -0.25967800    0.81420800
 C                  3.47778000    0.71555900    0.52802400
 C                  3.08718800    1.81959200   -0.26698700
 H                  1.53888500    2.82637200   -1.36824100
 H                  2.81059400   -1.12293900    1.42009300
 H                  4.49346700    0.64813500    0.90066800
 H                  3.82222800    2.58445900   -0.49955300
 C                  0.31985000   -1.11334300    0.59081700
 C                 -0.59460800    1.15800100   -1.00344400
 H                 -1.04709100    0.18452500   -1.21674500
 H                 -0.59452100    1.73228500   -1.93203400
 C                 -1.36631500    1.86258300    0.09924000
 C                 -1.68561300    3.16709100    0.15864200
 H                 -1.63408200    1.22046600    0.93729800
 C                 -2.45247300    3.71155100    1.33857500
 H                 -1.88250000    4.51196600    1.82988600
 H                 -3.39955500    4.15968200    1.01030700
 H                 -2.67511900    2.94048200    2.08218200
 C                 -1.33247800    4.19395700   -0.88611700
 H                 -0.63218100    4.92956100   -0.46764300
 H                 -0.87769400    3.77265400   -1.78565100
 H                 -2.22736200    4.75266600   -1.18817100
 C                 -0.53039300   -2.04612500    0.86812400
 H                 -1.16764300   -2.02962200    1.74872100
 Br                -0.73823000   -3.55100500   -0.29021500

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

Br 0
LANL2DZ



