%nproc=8
%Mem=8000MB
%Chk=BD_10fin
#p SCRF(SMD,Solvent=water) B3LYP/genecp EmpiricalDispersion=GD3 opt freq=noraman nosymm
# scf(maxcyc=400,XQC) gfinput gfprint pop=full IOP(1/8=5)

opt freq

-1 2
 C                 -3.49248100    1.16502200   -0.09623300
 H                 -4.56797200    1.03171200   -0.15177100
 C                 -2.91899900    2.40756500    0.02570700
 H                 -3.54229300    3.29678300    0.06947700
 C                 -1.51664900    2.53361800    0.08065800
 H                 -1.05240700    3.50943100    0.14823800
 C                 -0.74873900    1.38520000    0.02926900
 N                 -1.31343300    0.13513100   -0.06442600
 C                 -2.68392700   -0.01934300   -0.16163500
 N                  1.27947300    0.13928700   -0.09338900
 C                  2.64408900   -0.04541900   -0.14998000
 C                  3.46990200    1.12675100   -0.06029100
 H                  4.54459500    0.98263200   -0.09140800
 C                  2.90567800    2.37402200    0.06650500
 H                  3.54042000    3.25360500    0.13496300
 C                  1.50465700    2.52198000    0.10525400
 H                  1.05532000    3.50289900    0.19600000
 C                  0.72004200    1.38655000    0.02625000
 Cu                 0.01852000   -1.30017900    0.04214100
 O                 -1.13089100   -2.70839300    0.34017400
 O                  1.27930700   -2.56906300    0.11379300
 O                 -3.21034000   -1.17383700   -0.30303700
 O                  3.14434800   -1.20835800   -0.27271600
 H                 -2.00315000   -2.30981200    0.08964000

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 O C H 0
6-31+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        


