%nproc=12
%Mem=12000MB
%Chk=Brl_cat
#p SCRF(SMD,Solvent=toluene) B3LYP/genecp EmpiricalDispersion=GD3 nosymm
# scf(maxcyc=400,XQC) gfinput gfprint pop=full 

opt freq

0 1
 Cu                -4.74941100   -2.57742800    1.88640200
 N                 -4.58859900   -3.47889900    3.74247800
 N                 -4.73884100   -4.35591700    0.84003900
 N                 -6.81618700   -2.46139500    2.01065900
 N                 -5.47670500   -4.51269100    3.85784200
 C                 -3.96459300   -3.36700800    4.90832800
 N                 -5.57666000   -5.26614000    1.42453100
 C                 -4.15234400   -4.96601400   -0.18294100
 N                 -7.34304900   -3.67802600    2.34971000
 C                 -7.83626500   -1.62868700    1.84115500
 B                 -6.41982100   -4.88882500    2.67673700
 C                 -5.39076800   -5.03542400    5.10596300
 C                 -4.42715800   -4.33068900    5.82129400
 C                 -5.49869400   -6.43992600    0.75035500
 C                 -4.59203700   -6.29615200   -0.29534600
 C                 -8.69532500   -3.58485200    2.38093100
 C                 -9.06190200   -2.28181500    2.05912400
 H                 -7.08704900   -5.81293000    2.98943400
 Br                -7.53787400    0.16612900    1.38695500
 Br               -10.78843400   -1.56816800    1.94096000
 Br                -9.82526500   -5.01731800    2.79568900
 Br                -6.43000400   -6.47193000    5.70338800
 Br                -3.87726200   -4.60600100    7.58929400
 Br                -2.66457900   -2.04036200    5.16235500
 Br                -6.48189800   -7.96584800    1.20439000
 Br                -4.07420600   -7.57781600   -1.55713900
 Br                -2.91669300   -4.05436100   -1.25699600

Cu     0 
S   1   1.00
      8.1760000              1.0000000        
S   1   1.00
      2.5680000              1.0000000        
S   1   1.00
      0.9587000              1.0000000        
S   1   1.00
      0.1153000              1.0000000        
S   1   1.00
      0.0396000              1.0000000        
P   1   1.00
     25.6300000              1.0000000        
P   1   1.00
      3.1660000              1.0000000        
P   1   1.00
      1.0230000              1.0000000        
P   1   1.00
      0.0860000              1.0000000        
P   1   1.00
      0.0240000              1.0000000        
D   3   1.00
     41.3400000              0.0465424        
     11.4200000              0.2227824        
      3.8390000              0.4539059        
D   1   1.00
      1.2300000              1.0000000        
D   1   1.00
      0.3102000              1.0000000        
F   1   1.00
      3.5250000              1.0000000        
****
N C H B Br 0
6-311+G**
****

CU     0
CU-ECP     2     10
d-ul potential
  3
1    511.9951763            -10.0000000        
2     93.2801074            -72.5548282        
2     23.2206669            -12.7450231        
s-ul potential
  4
0    173.1180854              3.0000000        
1    185.2419886             23.8351825        
2     73.1517847            473.8930488        
2     14.6884157            157.6345823        
p-ul potential
  4
0    100.7191369              5.0000000        
1    130.8345665              6.4990936        
2     53.8683720            351.4605395        
2     14.0989469             85.5016036        


