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

single point

0 1
 C                  0.50881400   -2.11424600   -0.57806700
 C                 -0.60869900   -1.44338700   -0.05229700
 C                 -1.66874400   -2.16174900    0.51413200
 C                 -0.48254200   -4.22384200    0.02332800
 H                 -2.52841500   -1.64708700    0.93443800
 H                 -0.43908800   -5.30886300    0.06160300
 C                 -0.42794700    0.01008100   -0.20554500
 C                  1.50410000   -1.13522400   -1.15334900
 H                  1.49187700   -1.17407000   -2.24994900
 H                  2.53345400   -1.34317000   -0.84216400
 C                  1.01178000    0.26468700   -0.65909900
 H                  1.01949300    0.99109400   -1.47689800
 C                  1.87868600    0.80692800    0.47127900
 C                  2.58779600    1.92865200    0.31135900
 H                  3.22823900    2.31423000    1.10126700
 H                  2.54824200    2.50439200   -0.61001700
 C                  1.90698100    0.01173100    1.75420100
 H                  2.19938900   -1.03093200    1.57577700
 H                  2.60519400    0.44446000    2.47671700
 H                  0.91122100   -0.01959600    2.21406800
 C                 -1.59803100   -3.55461400    0.54736300
 H                 -2.41022600   -4.12489000    0.98948600
 C                  0.57573800   -3.50586300   -0.54259700
 H                  1.43986700   -4.02679300   -0.94706200
 C                 -1.38356800    0.92164600    0.00524600
 H                 -2.39301100    0.68031800    0.31531000
 Br                -1.13123000    2.80809200   -0.23704700

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

Br 0
LANL2DZ



