%nprocshared=20
%mem=41GB
#p opt=(maxstep=17) freq=noraman b3lyp genecp scrf=(solvent=dichloromethane,pcm) nosymm empiricaldispersion=gd3 scf=(xqc,maxcyc=512)

opt freq

1 1
 C                  0.49747093   -2.07159534   -0.63723930
 C                 -0.61751964   -1.46966117   -0.02415934
 C                 -1.57633400   -2.27499837    0.60663877
 C                 -0.31496705   -4.25512854   -0.02246629
 H                 -2.42583509   -1.82529029    1.11256023
 H                 -0.20215778   -5.33599115   -0.01417458
 C                 -0.52077767    0.00071618   -0.15614198
 C                  1.40190488   -1.03263035   -1.25330903
 H                  1.29103797   -1.02592146   -2.34599771
 H                  2.46018344   -1.21996922   -1.04152558
 C                  0.89673530    0.31493072   -0.64191069
 H                  0.86521665    1.09007997   -1.41468305
 C                  1.84214720    0.79331606    0.45714537
 C                  1.55136432    0.22102331    1.82292260
 H                  1.69454220   -0.86835226    1.81813072
 H                  2.19984028    0.64971514    2.59344417
 H                  0.50765228    0.39697903    2.11664945
 C                 -1.42174768   -3.66263600    0.59937752
 H                 -2.16175671   -4.28714649    1.09342748
 C                  0.65204148   -3.45597873   -0.64110850
 H                  1.51852386   -3.90990938   -1.11636324
 C                 -1.51208768    0.88551078    0.07926118
 H                 -2.42638995    0.41070738    0.36824744
 Br                -1.02990939    2.71614244   -0.17449423
 C                  2.96334118    1.79966109    0.21895674
 H                  2.84858287    2.62653282    0.88829497
 H                  3.90824745    1.32863024    0.39268659
 H                  2.91971194    2.14977233   -0.79120098

C H 0
6-31G*
****
Br 0
LanL2DZ
D 1 1.0
0.428 1.0
****

Br 0
LanL2DZ







