%nproc=8
%Mem=12000MB
%Chk=Brl_6
#p SCRF(SMD,Solvent=toluene) B3LYP/genecp EmpiricalDispersion=GD3 nosymm
# scf(maxcyc=400,XQC) gfinput gfprint pop=full 

opt freq

0 3
 Cu                -4.39813300   -1.92796900    0.91007300
 N                 -3.90953700   -1.93638400    2.91709700
 N                 -4.09134600   -4.00294200    0.81670100
 N                 -6.48319800   -2.33839600    1.62613400
 N                 -4.40940400   -2.97575400    3.65567300
 C                 -3.20333800   -1.16844200    3.75550700
 N                 -4.52955500   -4.74534900    1.87308600
 C                 -3.60015100   -4.85273000   -0.08592800
 N                 -6.58992300   -3.40201800    2.47150500
 C                 -7.71681700   -1.95102100    1.33135200
 B                 -5.30962100   -4.07032700    3.02469800
 C                 -4.00838000   -2.84989600    4.93993200
 C                 -3.23177700   -1.70342800    5.05427100
 C                 -4.29863900   -6.05583000    1.63074200
 C                 -3.70036700   -6.17550500    0.38339000
 C                 -7.89766600   -3.67576900    2.69388800
 C                 -8.66698100   -2.76340600    1.97963300
 H                 -5.59221900   -4.87426700    3.84310400
 C                 -0.77960700   -5.64798400    1.94170500
 C                 -1.10878300   -4.53033800    2.72272500
 C                 -0.88082200   -3.25015500    2.24166100
 C                 -0.31986000   -3.02221400    0.94882000
 C                  0.01955800   -4.17748000    0.18423400
 C                 -0.20966600   -5.45561400    0.67506200
 H                 -0.96692500   -6.65205300    2.31065100
 H                 -1.54167100   -4.66511300    3.71092700
 H                 -1.11515200   -2.39174600    2.86041600
 H                  0.44398600   -4.05749100   -0.80754600
 H                  0.03881600   -6.31729200    0.06150500
 C                 -0.13237600   -1.69641100    0.48632600
 H                 -0.49547200   -0.89641500    1.12413500
 H                 -3.15964100   -1.16115300   -1.25240500
 C                  0.51688300   -1.30338200   -0.80697900
 H                  0.99073400   -0.32032200   -0.68149500
 H                  1.32576800   -2.00591300   -1.04878900
 C                 -0.41320700   -1.22910900   -2.04511200
 H                 -0.92236500   -2.19036800   -2.17969700
 H                  0.20664000   -1.06852200   -2.93698400
 C                 -1.45273900   -0.10447600   -2.00481800
 H                 -1.90168300    0.03443000   -2.99803000
 H                 -0.97414500    0.83590800   -1.71567600
 N                 -2.49416800   -0.40804100   -1.01190100
 F                 -4.67641200   -1.95789900   -0.91151000
 S                 -3.32835100    0.81648000   -0.28295800
 O                 -2.37696500    1.82966000    0.17798300
 O                 -4.18960800    0.12327200    0.73367500
 C                 -4.45291600    1.56831900   -1.44830400
 C                 -5.47068500    0.78156900   -1.99818900
 C                 -4.28698200    2.90774400   -1.80072000
 C                 -6.34010800    1.36797600   -2.91272000
 H                 -5.56401400   -0.26131300   -1.71179800
 C                 -5.17356900    3.47229100   -2.71747600
 H                 -3.48789200    3.49364200   -1.35965500
 C                 -6.21156700    2.71739700   -3.28204600
 H                 -7.13523800    0.76722100   -3.34736200
 H                 -5.05782800    4.51665900   -2.99555500
 C                 -7.18934100    3.34594600   -4.24316800
 H                 -8.06876300    3.72673400   -3.70641800
 H                 -6.74329600    4.19035700   -4.77920500
 H                 -7.54909700    2.62150000   -4.98180100
 Br                -8.02165100   -0.48506900    0.20536500
 Br               -10.53372400   -2.64197500    1.90720400
 Br                -8.48664700   -5.07528100    3.78741900
 Br                -4.71055800   -7.41875500    2.84260400
 Br                -4.44488200   -4.06403400    6.29251900
 Br                -2.40161400   -1.03487200    6.59082300
 Br                -2.25540400    0.35392000    3.23512600
 Br                -2.90023600   -4.33476300   -1.74109100
 Br                -3.11424400   -7.73958400   -0.45726400

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 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        


