%nproc=8
%Mem=8000MB
%Chk=BDh_1
#p SCRF(SMD,Solvent=DiPhenylEther) B97D/genecp  nosymm
# scf(maxcyc=400,XQC) gfinput gfprint pop=full 

opt freq

0 3
 O                 -1.63705100   -0.12055300    1.38685000
 C                 -0.65409400   -0.51520800    0.68019100
 O                 -0.56459400   -0.43905700   -0.59382100
 O                 -4.38766200    2.07975200   -0.63548800
 C                 -4.40138200    1.94129600   -1.90322200
 O                 -3.57877200    1.24785200   -2.59638500
 O                 -4.22433300   -0.63394100    0.26626100
 C                 -3.99056600   -1.51382500   -0.62874000
 O                 -3.12699400   -1.42160700   -1.56138000
 C                 -4.79257500   -2.80694200   -0.54700500
 H                 -5.78101500   -2.62175900   -0.10379300
 H                 -4.89574700   -3.26236600   -1.54166600
 H                 -4.24723100   -3.51020500    0.10487200
 C                  0.53774800   -1.09815200    1.42368400
 H                  1.13271700   -1.74830000    0.76767100
 H                  1.16844500   -0.25783700    1.75837900
 H                  0.20361700   -1.65123300    2.31297300
 C                 -5.50495400    2.64995000   -2.67351000
 H                 -5.93118000    3.46868300   -2.07882000
 H                 -5.11289600    3.03174700   -3.62641300
 H                 -6.30140700    1.91962700   -2.89567500
 Cu                -2.03583300    0.30087400   -1.75624100
 C                 -1.38077500    3.26829600   -2.49546900
 C                  0.17033400    1.68892100   -3.03708800
 C                 -2.24042800    4.12141000   -1.79418600
 C                 -1.06549800    3.45946800   -3.86747400
 C                  1.11710700    0.65754200   -2.99212000
 C                 -0.07957400    2.44419900   -4.21666800
 C                 -2.81645700    5.18129300   -2.51235300
 H                 -2.47740000    3.94597400   -0.74668000
 C                 -1.65726300    4.51943300   -4.57092000
 C                  1.82301100    0.38086600   -4.17565600
 H                  1.28647700    0.09269700   -2.07738300
 C                  0.62905200    2.14507300   -5.39021700
 C                 -2.53742800    5.37362000   -3.88340900
 H                 -3.49661800    5.86394600   -2.00010900
 H                 -1.42926000    4.68663900   -5.62508500
 C                  1.57727000    1.10700400   -5.36010300
 H                  2.57372300   -0.41144900   -4.17466400
 H                  0.45504200    2.71284600   -6.30605000
 H                 -3.00556400    6.20405200   -4.41507200
 H                  2.13938200    0.86617700   -6.26423000
 N                 -0.71063000    2.12141100   -2.00497300
 Cu                -3.10210700    1.03020200    0.55770700
 O                 -2.30041100    2.65711200    1.34271700
 C                 -1.03065800    2.92647900    1.41733700
 C                 -0.66492600    3.83521100    2.59194500
 H                 -0.72405300    3.25031100    3.52547400
 H                  0.35566800    4.22468200    2.47259100
 H                 -1.38132500    4.66648900    2.67742900
 O                 -0.13611600    2.51527000    0.64338800
 H                 -0.42381800    2.13618500   -0.98794300

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        
****
O C H N 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        

