%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

0 1
 C                  0.52020680   -2.07409146   -0.57038896
 C                 -0.62341400   -1.46901373   -0.01594495
 C                 -1.61541392   -2.27156508    0.56512884
 C                 -0.32814976   -4.25519857    0.00309293
 H                 -2.48874974   -1.81943253    1.02633018
 H                 -0.21855583   -5.33632277    0.01786834
 C                 -0.51641285    0.00102639   -0.14369768
 C                  1.45771015   -1.03777115   -1.13970310
 H                  1.40329769   -1.03162269   -2.23665640
 H                  2.50321297   -1.22749419   -0.87356288
 C                  0.92500529    0.31146329   -0.55599338
 H                  0.93523033    1.08610097   -1.32985306
 C                  1.81370809    0.78840533    0.59000577
 C                  1.53160100    0.56998473    1.87822722
 H                  2.20940329    0.88938726    2.66631682
 H                  0.61404540    0.07899603    2.18930744
 C                  3.07249796    1.49539480    0.15064822
 H                  2.82241621    2.42291923   -0.38266179
 H                  3.71710995    1.74907330    0.99807009
 H                  3.65345076    0.88007292   -0.54966851
 C                 -1.46404606   -3.65957556    0.56671807
 H                 -2.23004582   -4.28193047    1.02238331
 C                  0.67139210   -3.45884511   -0.56541505
 H                  1.56009651   -3.91521784   -0.99511289
 C                 -1.51637104    0.88838036    0.03976405
 H                 -2.44550273    0.41599600    0.28156420
 Br                -1.01729405    2.71765455   -0.18997076

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

Br 0
LanL2DZ







