%mem=96000MB
%nprocshared=24
#p SCRF(SMD,Solvent=toluene) B3LYP/genecp EmpiricalDispersion=GD3 nosymm
# scf(maxcyc=400,XQC) gfinput gfprint pop=full 

opt freq

0 3
 Cu                -4.73305900   -1.96596800    1.07383200
 N                 -3.93274000   -2.73478600    3.04621800
 N                 -4.91382400   -4.01010700    0.58202100
 N                 -6.71208100   -2.20129500    1.65655600
 N                 -4.75212100   -3.61879100    3.68976800
 C                 -2.86312000   -2.54719000    3.82479000
 N                 -5.35949700   -4.84391300    1.56874800
 C                 -4.48108600   -4.77018500   -0.43059900
 N                 -6.98864100   -3.22360200    2.52617200
 C                 -7.88977300   -1.70439400    1.24701900
 B                 -5.90117200   -4.26230300    2.90271000
 C                 -4.20970500   -3.97816800    4.88535400
 C                 -3.00600700   -3.29943600    5.01141600
 C                 -1.72404500   -1.69295100    3.37519200
 C                 -5.20269700   -6.13471300    1.18243500
 C                 -4.64777700   -6.12611500   -0.09198900
 C                 -3.94775800   -4.16158000   -1.68935600
 C                 -8.32957100   -3.35063100    2.68018800
 C                 -8.93581300   -2.39008100    1.88353600
 H                 -6.39943300   -5.13382800    3.55200500
 C                 -4.85733800   -4.95013900    5.82185700
 C                 -5.58811400   -7.29817900    2.04123100
 C                 -8.96801900   -4.36248500    3.57928600
 H                 -1.62265700   -0.78895400    3.98094900
 H                 -0.78143100   -2.24983800    3.43384200
 H                 -1.88441400   -1.39742900    2.33921700
 H                 -4.27592700   -5.01757000    6.74630200
 H                 -5.87783800   -4.64820800    6.08515400
 H                 -4.91994100   -5.95540800    5.38808300
 H                 -8.59715600   -4.28195700    4.60699900
 H                -10.05101200   -4.20853900    3.59444700
 H                 -6.65910800   -7.29436500    2.27501400
 H                 -8.77760400   -5.38794100    3.24394400
 H                 -5.04601000   -7.29854400    2.99393500
 H                 -5.35813000   -8.23298800    1.52148600
 C                 -8.01917700   -0.61123000    0.23993600
 H                 -9.01356600   -0.64119500   -0.21620700
 H                 -7.89652400    0.37649300    0.69725800
 H                 -7.28036400   -0.72255500   -0.55953700
 H                 -4.74065700   -4.03508300   -2.43939300
 H                 -3.51735500   -3.18445700   -1.45801600
 H                 -3.17634700   -4.80111900   -2.13195400
 H                 -4.39790600   -6.98788500   -0.69563700
 H                 -9.99563900   -2.20977600    1.77072900
 H                 -2.31416600   -3.35592500    5.84092100
 C                  1.53678100   -0.54526200    1.58996200
 C                  0.98891800    0.62487900    2.12770400
 C                 -0.23680400    1.09326600    1.66694800
 C                 -0.94144000    0.40957600    0.65090200
 C                 -0.38729800   -0.78419300    0.13839700
 C                  0.84054400   -1.24673400    0.59805600
 H                  1.51778200    1.16738900    2.90675200
 H                 -0.66971800    1.99424000    2.09364100
 H                 -0.95188100   -1.36620500   -0.57868500
 H                  1.25224800   -2.16822700    0.19508800
 C                 -2.23862100    0.93075600    0.21269900
 H                 -2.40647300    1.95016400    0.57526700
 H                 -3.16751500    0.34041800    0.86749700
 C                 -2.74463300    0.74309900   -1.21723300
 H                 -2.48789900    1.65221600   -1.77823700
 H                 -2.23345900   -0.09155000   -1.69749300
 C                 -4.27453600    0.50367600   -1.29350700
 H                 -4.45974400   -0.56940900   -1.38483100
 H                 -4.69894000    0.99395200   -2.17663300
 C                 -5.00345800    1.03567600   -0.05692000
 H                 -6.08106600    0.92130700   -0.16883000
 H                 -4.80391700    2.10377400    0.07377700
 N                 -4.55622100    0.27839200    1.13974000
 F                 -3.15479400   -1.84277200    0.12888800
 S                 -4.63311400    1.18324600    2.61754000
 O                 -4.81245900    2.61190000    2.29921400
 O                 -3.47516000    0.75506100    3.40818600
 C                 -6.11498100    0.60850200    3.41859800
 C                 -7.31904100    1.28355300    3.20132400
 C                 -6.03904900   -0.49544700    4.26793500
 C                 -8.47170400    0.81429100    3.82499700
 H                 -7.34330500    2.16424200    2.56816500
 C                 -7.20199200   -0.94188100    4.88832700
 H                 -5.09115800   -0.99269100    4.42909000
 C                 -8.43278100   -0.30923500    4.66608700
 H                 -9.41577000    1.32706200    3.65886500
 H                 -7.15255800   -1.80318100    5.54842100
 C                 -9.69779200   -0.85546800    5.27666100
 H                -10.41084300   -0.05952200    5.51773400
 H                -10.19143100   -1.53625700    4.57028100
 H                 -9.49425700   -1.42294200    6.19080000
 H                  2.49363200   -0.91451000    1.94953900

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 -F -S -O -Cl 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        


