%nproc=12
%Mem=12000MB
%Chk=Tsl_5
#p SCRF(SMD,Solvent=toluene) B3LYP/genecp EmpiricalDispersion=GD3 nosymm
# scf(maxcyc=400,XQC) gfinput gfprint pop=full 

opt freq

0 3
 Cu                -4.61327800   -2.39300100    1.20300700
 N                 -3.99449600   -2.85935600    3.25727000
 N                 -4.77344300   -4.44924800    0.87882300
 N                 -6.56799500   -2.47491200    1.66589600
 N                 -4.78511400   -3.75539300    3.91618800
 C                 -2.95224900   -2.58055800    4.04562500
 N                 -5.32744900   -5.17442700    1.89517400
 C                 -4.28224900   -5.30545400   -0.02191200
 N                 -6.93585800   -3.39841300    2.60773600
 C                 -7.68929200   -1.89740500    1.20614800
 B                 -5.91817500   -4.44745100    3.13578900
 C                 -4.24643000   -4.04378700    5.13114600
 C                 -3.07837100   -3.30033300    5.25262000
 C                 -1.89595800   -1.62157900    3.59419500
 C                 -5.18017900   -6.49887700    1.63865100
 C                 -4.52187300   -6.62032600    0.41944800
 C                 -3.62183700   -4.80744500   -1.26902200
 C                 -8.28247800   -3.38627500    2.75663700
 C                 -8.79414800   -2.43682100    1.88043500
 H                 -6.48233800   -5.23244800    3.83914600
 C                 -4.86594400   -5.01376600    6.08801000
 C                 -5.65971100   -7.56826400    2.56941400
 C                 -9.01038300   -4.25704100    3.73167000
 H                 -2.14362800   -0.58916300    3.86237600
 H                 -0.92933400   -1.86434400    4.04565200
 H                 -1.79561000   -1.66952100    2.50644300
 H                 -4.29953500   -5.02666600    7.02382700
 H                 -5.90375800   -4.74900400    6.32179700
 H                 -4.87487800   -6.03364100    5.68505100
 H                 -8.63273600   -4.12307500    4.75139000
 H                -10.07489300   -4.00568100    3.72547600
 H                 -6.73806400   -7.49796600    2.75228500
 H                 -8.91183300   -5.31998900    3.48450600
 H                 -5.15888500   -7.51119200    3.54301900
 H                 -5.45166100   -8.55258900    2.13995600
 C                 -7.69570100   -0.87723600    0.11478800
 H                 -8.70500100   -0.47678500   -0.01575400
 H                 -7.03228500   -0.04047100    0.33681700
 H                 -7.38189500   -1.31586200   -0.84009300
 H                 -4.34113600   -4.71567300   -2.09408900
 H                 -3.18062800   -3.82578900   -1.07504900
 H                 -2.83374200   -5.49455300   -1.59432900
 H                 -4.25105000   -7.53998200   -0.08069100
 H                 -9.83170600   -2.16496800    1.74752000
 H                 -2.40266000   -3.29013100    6.09695300
 C                  1.34224800   -0.53529000    1.99318000
 C                  0.70716400    0.53581900    2.64058200
 C                 -0.31257500    1.23173200    2.01049600
 C                 -0.73539200    0.89476800    0.68956900
 C                 -0.07651700   -0.19970200    0.05549600
 C                  0.93745100   -0.89534600    0.70052200
 H                  1.00728600    0.81628000    3.64728200
 H                 -0.82167000    2.04045700    2.52642100
 H                 -0.37207600   -0.49749000   -0.94537600
 H                  1.41834500   -1.72988600    0.19633300
 C                 -1.77347100    1.63832100    0.07498700
 H                 -2.21139700    2.44472100    0.65504100
 H                 -3.31397100   -0.33433600    0.99380500
 C                 -2.33019600    1.39374600   -1.29681100
 H                 -2.91036400    2.27190800   -1.60517200
 H                 -1.50873600    1.29108500   -2.02206200
 C                 -3.22178900    0.13621400   -1.44702100
 H                 -2.66418000   -0.76636800   -1.18214800
 H                 -3.50808900    0.04413000   -2.50342200
 C                 -4.51895500    0.12929600   -0.63624600
 H                 -5.14769500   -0.69092800   -0.98942100
 H                 -5.07679000    1.05948600   -0.76974300
 N                 -4.29870500   -0.09625000    0.83296200
 F                 -2.91083100   -2.27051900    0.49686200
 S                 -4.62420500    1.22008900    1.91987200
 O                 -4.98713500    2.40507600    1.12740500
 O                 -3.47798400    1.24745400    2.83746200
 C                 -6.05903200    0.72655800    2.85852400
 C                 -7.27362500    1.38823500    2.66479900
 C                 -5.92285900   -0.27961000    3.81399700
 C                 -8.37373200    1.00419600    3.42736700
 H                 -7.34830600    2.18337000    1.93119000
 C                 -7.03460800   -0.64942600    4.56502700
 H                 -4.97546400   -0.78423600    3.95037600
 C                 -8.27456000   -0.02463300    4.37756500
 H                 -9.32633700    1.50726500    3.28040800
 H                 -6.93512800   -1.44583400    5.29704300
 C                 -9.49020900   -0.46618500    5.15213500
 H                -10.01363900    0.38722300    5.59943000
 H                -10.20481400   -0.97364600    4.49142100
 H                 -9.22686700   -1.16245300    5.95450800
 H                  2.13590700   -1.08488600    2.49182700

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        


