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

opt freq

0 1
 Cu                -4.78485800   -2.59062800    1.92691900
 N                 -4.57605000   -3.45556100    3.77591900
 N                 -4.71884600   -4.33577600    0.84806800
 N                 -6.83382800   -2.44135300    1.98378300
 N                 -5.47294600   -4.48637100    3.87720300
 C                 -3.92414000   -3.37178500    4.93816500
 N                 -5.56680400   -5.23792100    1.43578500
 C                 -4.13465400   -4.94573600   -0.18609700
 N                 -7.34621400   -3.65519600    2.35869300
 C                 -7.86255400   -1.61536100    1.77846400
 B                 -6.40834100   -4.85293000    2.68755200
 C                 -5.38305300   -5.04993700    5.11152300
 C                 -4.40235900   -4.36325100    5.81702500
 C                 -2.86725600   -2.33261100    5.14261800
 C                 -5.51310200   -6.41913100    0.76403200
 C                 -4.60739700   -6.26939700   -0.27896100
 C                 -3.13692700   -4.22043900   -1.03303700
 C                 -8.70410000   -3.58865100    2.38827800
 C                 -9.06990900   -2.29864400    2.02324300
 H                 -7.07886800   -5.79104200    3.00149500
 C                 -6.22799900   -6.20349800    5.55448900
 C                 -6.32326900   -7.61993800    1.14224400
 C                 -9.57607300   -4.74788000    2.75847200
 H                 -3.12989000   -1.64238500    5.95389100
 H                 -1.90162600   -2.78537000    5.39870700
 H                 -2.73848100   -1.74771600    4.22471100
 H                 -5.96667600   -6.47845800    6.58076500
 H                 -7.29652200   -5.95923900    5.53085200
 H                 -6.08183500   -7.08465300    4.91909500
 H                 -9.36176500   -5.11224700    3.76973300
 H                -10.62697600   -4.44577000    2.72257400
 H                 -7.39924400   -7.41463500    1.10188900
 H                 -9.44223200   -5.59350500    2.07364700
 H                 -6.09626700   -7.96245500    2.15844100
 H                 -6.10880800   -8.44186300    0.45265400
 C                 -7.62684100   -0.19981300    1.35527400
 H                 -8.07416300    0.00954300    0.37578000
 H                 -8.05774200    0.51142500    2.07056300
 H                 -6.55003300   -0.00670500    1.28749000
 H                 -3.42724300   -4.22397900   -2.09059300
 H                 -3.05496800   -3.17846200   -0.70329700
 H                 -2.14227400   -4.67849600   -0.96499800
 H                 -4.33143000   -7.01979700   -1.00725300
 H                -10.07644900   -1.91052700    1.94671500
 H                 -4.08049600   -4.55850800    6.83088300

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 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        


