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

single point

1 1
 C                  0.48232800   -2.25228600   -0.57282400
 C                 -0.62389300   -1.48364400   -0.07917900
 C                 -1.84016600   -2.10632700    0.32512100
 C                 -0.81866500   -4.22923200   -0.24649500
 H                 -2.67348100   -1.51580200    0.69017100
 H                 -0.91330700   -5.30972600   -0.30102800
 C                 -0.27393200   -0.13581000   -0.08205500
 C                  1.61699000   -1.35334600   -0.95211700
 H                  1.80211700   -1.40766200   -2.03190300
 H                  2.55183100   -1.64802500   -0.46541300
 C                  1.14146800    0.06742700   -0.54497300
 H                  1.11458800    0.73577300   -1.41460700
 C                  1.97798200    0.75693000    0.54110000
 C                  2.51270900    1.95831300    0.30355400
 H                  3.11002200    2.46411300    1.05736600
 H                  2.38472000    2.47232800   -0.64513700
 C                  2.12663000    0.02910800    1.85470800
 H                  2.55038600   -0.97348700    1.72049200
 H                  2.77988800    0.58148300    2.53485100
 H                  1.15644000   -0.10420100    2.35192100
 C                 -1.92098300   -3.47746900    0.23624400
 H                 -2.82567600   -3.99531800    0.53477800
 C                  0.37861500   -3.63356200   -0.65343500
 H                  1.20024700   -4.23840200   -1.02163400
 Br                -1.94313600    1.65475900   -1.40163700
 C                 -1.13847600    1.00016300    0.30821500
 H                 -0.56335900    1.83207800    0.71399900
 H                 -1.96604400    0.72832700    0.96017100

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

Br 0
LANL2DZ



