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

single point

1 1
 C                  0.25976800   -2.02681600   -0.75835100
 C                 -0.80934000   -1.37816700   -0.04928700
 C                 -1.67853400   -2.12032000    0.81552600
 C                 -0.52120500   -4.12410900    0.16110200
 H                 -2.45581900   -1.59383500    1.35809800
 H                 -0.39909100   -5.19988000    0.24425700
 C                 -1.03717200   -0.04320000   -0.23613100
 C                 -1.63670000    1.09576800   -0.41470300
 C                  1.22646200   -1.16627000   -1.54047300
 H                  0.80504200   -1.01457600   -2.54315800
 H                  2.16074200   -1.72327100   -1.68236300
 C                  1.48925200    0.19013000   -0.90768200
 H                  1.32634200    1.06013100   -1.53730700
 C                  2.01554400    0.36866500    0.33026500
 C                  2.30669400   -0.78793400    1.25173900
 H                  2.68310500   -1.66657600    0.71865800
 H                  3.03667000   -0.50998400    2.01739600
 H                  1.39020700   -1.09710200    1.77734500
 C                  2.32998200    1.73802100    0.86384200
 H                  1.78231300    1.92838900    1.79587400
 H                  3.39856400    1.80098000    1.10899300
 H                  2.08629700    2.53001500    0.15186000
 C                 -1.53792100   -3.49113400    0.89720200
 H                 -2.19754600   -4.07452600    1.52960500
 C                  0.36919800   -3.40115700   -0.65119000
 H                  1.16937200   -3.92272900   -1.16627400
 H                 -2.55320200    1.12920900   -1.00297000
 Br                -1.03602000    2.76940400    0.23848500

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

Br 0
LANL2DZ



