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

single point

0 1
 C                 -0.47612900   -1.74208400   -0.47106000
 C                 -1.57614300   -0.88819700   -0.21058000
 C                 -2.70858300   -1.38294900    0.46662500
 C                 -1.67215600   -3.55408100    0.63842600
 H                 -3.54391500   -0.71512600    0.65436200
 H                 -1.70129300   -4.59033400    0.96366200
 C                 -1.54898200    0.47826700   -0.62767500
 C                 -1.51725100    1.63953900   -0.97993600
 C                  0.77269900   -1.22836800   -1.16663700
 H                  0.48069000   -0.54065100   -1.97081700
 H                  1.29090600   -2.06775200   -1.63846100
 C                  1.67601500   -0.49541200   -0.19893200
 H                  1.26716100    0.44986600    0.15828100
 C                  2.86688600   -0.88862800    0.27777000
 C                  3.56579200   -2.17634200   -0.08529700
 H                  4.56029200   -1.97091000   -0.50483500
 H                  3.72851700   -2.78697100    0.81367900
 H                  3.01508000   -2.78488600   -0.80632900
 C                  3.62541400   -0.03038500    1.26362400
 H                  3.80762500   -0.57787900    2.19925000
 H                  4.61351300    0.24277100    0.86707500
 H                  3.08837800    0.89204600    1.50740000
 C                 -2.75668400   -2.70849500    0.88875300
 H                 -3.63487900   -3.07972600    1.40893600
 C                 -0.54847400   -3.06803200   -0.03261100
 H                  0.29262800   -3.73015900   -0.22291600
 Br                -1.46596100    3.36851600   -1.49978400

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

Br 0
LANL2DZ



