%mem=8000MB
%nprocshared=8
%chk=Ts_5-piper.chk
#p SCRF(SMD,Solvent=toluene) B3LYP/genecp EmpiricalDispersion=GD3 nosymm
# scf(maxcyc=400,XQC) gfinput gfprint pop=full 

opt freq

0 3
 Cu                -4.75993800   -2.22778600    1.09582800
 N                 -3.89280300   -2.85058700    3.02403700
 N                 -4.96625900   -4.27851500    0.69878200
 N                 -6.67859900   -2.37085300    1.73097500
 N                 -4.65347200   -3.73212000    3.74622700
 C                 -2.70285700   -2.76115200    3.62318100
 N                 -5.42838900   -5.04427300    1.73204300
 C                 -4.59601500   -5.09802000   -0.29024700
 N                 -6.94396900   -3.31090200    2.69037000
 C                 -7.85200700   -1.86137300    1.32950000
 B                 -5.87468300   -4.37150100    3.06513000
 C                 -3.94236500   -4.18795300    4.81539100
 C                 -2.69823300   -3.57793900    4.77600000
 C                 -1.59397300   -1.94352500    3.04328000
 C                 -5.34588600   -6.35614000    1.39546300
 C                 -4.82252800   -6.42863400    0.10906400
 C                 -4.05719300   -4.55516300   -1.57662100
 C                 -8.28116000   -3.37357000    2.90858800
 C                 -8.89016600   -2.45649700    2.06299400
 H                 -6.36413200   -5.18879900    3.78692800
 C                 -4.48469600   -5.18321700    5.79318500
 C                 -5.76551700   -7.46209800    2.31205400
 C                 -8.90670200   -4.28622200    3.91567900
 H                 -1.43561000   -1.01103400    3.59071800
 H                 -0.65724300   -2.51227000    3.06571900
 H                 -1.82005600   -1.69768400    2.00439700
 H                 -3.79399000   -5.29078500    6.63478600
 H                 -5.45955700   -4.87581500    6.18845000
 H                 -4.61656600   -6.17240000    5.33793100
 H                 -8.43452400   -4.18482700    4.89898700
 H                 -9.96933000   -4.04709400    4.01838400
 H                 -6.82643000   -7.38944200    2.57814000
 H                 -8.82411300   -5.33887600    3.62241500
 H                 -5.19328900   -7.45568400    3.24685900
 H                 -5.60445500   -8.42786200    1.82406000
 C                 -7.96700200   -0.83504100    0.25220500
 H                 -8.88484900   -0.99532700   -0.32274000
 H                 -8.01165400    0.17825700    0.66684800
 H                 -7.12186500   -0.89653800   -0.43846300
 H                 -4.85209200   -4.43877200   -2.32596200
 H                 -3.60007600   -3.57915800   -1.39270400
 H                 -3.30407900   -5.22897700   -1.99887000
 H                 -4.62947000   -7.32656900   -0.46171300
 H                 -9.94708400   -2.24323900    1.98747400
 H                 -1.88936300   -3.71014000    5.48167400
 C                  1.24119300    0.54391100    2.60417300
 C                  0.33666300    1.60551900    2.75838000
 C                 -0.65343300    1.82586200    1.81380300
 C                 -0.78528900    0.98341000    0.66996300
 C                  0.13612000   -0.09735800    0.54289900
 C                  1.12993200   -0.30127400    1.49104900
 H                  0.40651900    2.25684500    3.62583000
 H                 -1.36552700    2.63588700    1.94829700
 H                  0.05820100   -0.76903300   -0.30625900
 H                  1.82291600   -1.13035900    1.37087800
 C                 -1.80712200    1.23749500   -0.27786200
 H                 -2.39074100    2.14504200   -0.13656800
 H                 -3.42911100   -0.08491600    0.89520000
 C                 -2.09907300    0.39847800   -1.48699800
 H                 -1.29762100    0.54138500   -2.23267800
 H                 -2.08046500   -0.66386500   -1.21620000
 C                 -4.70905400    0.22217800   -1.42616300
 H                 -4.65100300   -0.86331500   -1.29818700
 H                 -5.57328300    0.42397600   -2.07161600
 C                 -4.99291200    0.89307300   -0.07110400
 H                 -6.06458700    0.95808600    0.11164800
 H                 -4.60624400    1.91555800   -0.07122400
 N                 -4.41855500    0.13012800    1.07753100
 F                 -3.19517800   -2.04668800    0.12966100
 S                 -4.41761200    1.04383200    2.56212700
 O                 -4.37674600    2.47858900    2.23547300
 O                 -3.37581500    0.44479200    3.39562600
 C                 -6.00993500    0.68084300    3.26854900
 C                 -7.08913600    1.53115500    3.01638900
 C                 -6.13511900   -0.43679400    4.09424900
 C                 -8.32342400    1.23211300    3.58800800
 H                 -6.95737600    2.41178700    2.39669900
 C                 -7.37285200   -0.70473700    4.67153100
 H                 -5.28581800   -1.08805000    4.26126200
 C                 -8.48354700    0.11158500    4.41873700
 H                 -9.17510300    1.87876300    3.39150200
 H                 -7.48031400   -1.57663300    5.30987600
 C                 -9.82896300   -0.19831200    5.02575000
 H                -10.62663800   -0.12658900    4.27721200
 H                 -9.85585200   -1.20525000    5.45398800
 H                -10.07268500    0.51190600    5.82674500
 H                  2.01711200    0.37387300    3.34550200
 C                 -3.44673000    0.71212700   -2.16287600
 H                 -3.44837600    0.24564000   -3.15640100
 H                 -3.52729000    1.79598700   -2.33171900

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        




