%nproc=12
%Mem=12000MB
%Chk=Tsl_MECP_4-3_SF
#p SCRF(SMD,Solvent=toluene) B3LYP/genecp EmpiricalDispersion=GD3 nosymm
# scf(maxcyc=400,XQC) gfinput gfprint pop=full 

opt freq

0 1
Cu                -4.74927000   -2.13154400    2.14932500
 N                 -4.23900300   -3.50922800    3.52457600
 N                 -5.21103400   -3.68553500    0.77295600
 N                 -6.76576200   -2.06889700    2.79557900
 N                 -5.15880600   -4.50595500    3.70274900
 C                 -3.19565500   -3.76899700    4.32319200
 N                 -5.99214500   -4.66264700    1.32372800
 C                 -4.95507100   -4.03584900   -0.48956100
 N                 -7.29352700   -3.30824600    3.02842900
 C                 -7.75812200   -1.18025000    2.89764800
 B                 -6.42975700   -4.57224200    2.81271200
 C                 -4.69762400   -5.39188900    4.62082700
 C                 -3.44873200   -4.95001800    5.04251000
 C                 -6.23391400   -5.63085300    0.40113600
 C                 -5.58572300   -5.26333900   -0.77224200
 C                 -8.62422600   -3.20157700    3.28245400
 C                 -8.95548400   -1.85417800    3.21317700
 H                 -7.06371100   -5.54389900    3.10016500
 C                 -3.50482500   -0.82058100   -7.97688300
 C                 -3.88126700   -1.87140400   -7.13761600
 C                 -4.38502400   -1.60381500   -5.86299700
 C                 -4.52442300   -0.28649500   -5.40551000
 C                 -4.14156000    0.75948900   -6.25804400
 C                 -3.63699100    0.49756700   -7.53252200
 H                 -3.11695200   -1.02628500   -8.97110200
 H                 -3.78600400   -2.90045300   -7.47527600
 H                 -4.67949000   -2.42618600   -5.21449900
 H                 -4.24593100    1.78794800   -5.91858800
 H                 -3.35082100    1.32265400   -8.18014600
 C                 -5.03089800    0.00245800   -4.01093000
 H                 -5.67028500   -0.82126700   -3.66735000
 H                 -5.66088200    0.90185900   -4.02102800
 C                 -3.89360400    0.20896500   -2.99349400
 H                 -3.26451300   -0.69111800   -2.96540900
 H                 -3.24670700    1.02873000   -3.33520900
 C                 -4.43483400    0.51267000   -1.59495300
 H                 -5.08556600   -0.29983500   -1.25703400
 H                 -5.04384400    1.42553200   -1.61513500
 C                 -3.31862400    0.68950600   -0.56705100
 H                 -2.67130200    1.53645900   -0.84968100
 H                 -2.67929100   -0.20136600   -0.50087700
 N                 -3.88947500    1.04775100    0.72035300
 F                 -4.71942500   -0.55106300    1.13610900
 S                 -2.75620000    1.07286700    1.99967400
 O                 -1.99527500    2.31167500    1.76050800
 O                 -2.03267300   -0.20204800    2.14179600
 C                 -3.84243300    1.29624500    3.38978200
 C                 -4.45336700    2.53746100    3.57512400
 C                 -4.07610500    0.23347900    4.26264900
 C                 -5.32358100    2.70233200    4.65059400
 H                 -4.25191200    3.35487400    2.89086200
 C                 -4.95219500    0.41542200    5.32848900
 H                 -3.58543500   -0.71730600    4.10706500
 C                 -5.58912400    1.64736600    5.53794700
 H                 -5.80934000    3.66301600    4.79925400
 H                 -5.15237100   -0.41626200    5.99896900
 C                 -4.10609900   -3.16592300   -1.36178700
 H                 -3.23305100   -3.70919100   -1.74291800
 H                 -4.66629500   -2.79872400   -2.22999500
 H                 -3.75478300   -2.30267400   -0.79042600
 C                 -1.99614000   -2.87665700    4.36013000
 H                 -1.97173600   -2.26789800    5.27381200
 H                 -1.07376800   -3.46800700    4.34162100
 H                 -1.98364000   -2.20095900    3.49946900
 C                 -7.51067400    0.27974500    2.68601300
 H                 -8.31072200    0.72441200    2.08312500
 H                 -7.47160700    0.82444700    3.63618100
 H                 -6.56003700    0.42626200    2.16832100
 C                 -9.49914400   -4.38275500    3.56780200
 H                -10.51182800   -4.04523000    3.80802400
 H                 -9.56331300   -5.05849800    2.70660400
 H                 -9.12434000   -4.96928700    4.41413800
 C                 -7.05866400   -6.84749800    0.68635300
 H                 -7.13771800   -7.46148700   -0.21595300
 H                 -6.61462100   -7.46290800    1.47750500
 H                 -8.07278000   -6.58405300    1.00799300
 C                 -5.46194400   -6.60729900    5.04244500
 H                 -4.88318400   -7.16909900    5.78105500
 H                 -6.42614500   -6.34336900    5.49216900
 H                 -5.66821000   -7.27049300    4.19517800
 H                 -5.57174500   -5.81354100   -1.70322500
 H                 -9.93464100   -1.42010100    3.36477100
 H                 -2.80361400   -5.42428600    5.76971400
 C                 -6.54112100    1.82080600    6.69511100
 H                 -7.22618600    0.96851300    6.77036800
 H                 -5.99697300    1.88169000    7.64674600
 H                 -7.13821000    2.73261000    6.59502600

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 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        


