%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                  0.45195095   -2.12422125   -0.64347565
 C                 -0.62303673   -1.45406866   -0.02972266
 C                 -1.62769318   -2.19803340    0.60508528
 C                 -0.49046041   -4.25276904   -0.02141158
 H                 -2.44717386   -1.69623804    1.11154239
 H                 -0.44358311   -5.33846838   -0.01054268
 C                 -0.43732727    0.00737127   -0.16571276
 C                  1.41656946   -1.14371788   -1.26405214
 H                  1.30395486   -1.13297333   -2.35652986
 H                  2.46194949   -1.39455954   -1.05390777
 C                  0.99561958    0.23358046   -0.65513871
 H                  1.00963593    1.00730273   -1.42985431
 C                  1.97075055    0.65628258    0.44077321
 C                  2.97009773    1.52131301    0.24118854
 H                  3.62033485    1.83011323    1.05626722
 H                  3.18016608    1.93889473   -0.73924295
 C                  1.69003856    0.04939048    1.79366044
 H                  1.80741371   -1.04233807    1.75348755
 H                  2.36155373    0.43930580    2.56504533
 H                  0.65595262    0.24027619    2.11114998
 C                 -1.55780870   -3.59251834    0.60111322
 H                 -2.33336260   -4.16963856    1.09826558
 C                  0.52202494   -3.51544866   -0.64406409
 H                  1.35826490   -4.02241604   -1.11987776
 Br                -0.89305307    2.86241274   -0.16176463
 C                 -1.48513275    1.06513233    0.09770557
 H                 -1.80251722    0.91908610    1.10905991
 H                 -2.24928812    0.72344994   -0.56879253

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

Br 0
LanL2DZ







