! wb97x-d3
! def2-TZVPP
! def2/J RIJCOSX GRIDX6 NOFINALGRIDX
! grid4 nofinalgrid
! scfconv7
! smallprint printgap noloewdin
! NOSOSCF
%MaxCore 8000
%output
       print[P_BondOrder_M] 1
       print[P_Mayer] 1
       print[P_basis] 2
end
%pal
    nprocs 8
end
%cpcm
    smd    true
    smdsolvent "WATER"
end
*xyz 0 1
Cl  -3.8434792701   3.0915697983   0.2199866794
N   -0.2667401658  -2.1379645114  -0.6331937129
N   -1.3410717581  -1.8758579582  -1.3831251949
N   -1.8580678408  -3.3300067805   0.2448968215
N    1.7386033233  -1.2738240927   2.4829550791
C    1.1742865537  -0.2567977519   0.1401075941
C    2.3905874129   0.5956844977  -0.2953877126
C    0.9803827563  -1.4452238574  -0.8351480199
C    3.7176267536  -0.1469895636  -0.3858790241
C   -0.0877603770   0.5928245204   0.2012411270
C    4.8578297363   0.7974265010  -0.7471579705
C    1.4739561580  -0.8122315475   1.4616359226
C   -0.8574458221   0.7073585753   1.3511761309
C   -0.5069059455   1.2585929291  -0.9481295263
C    6.1916451521   0.0788304269  -0.8726472638
C   -2.0138528431   1.4751606890   1.3661976385
C   -1.6561172554   2.0285344773  -0.9502256801
C   -0.5933306671  -2.9997969909   0.3327461581
C   -2.4034448674   2.1307642001   0.2131747243
C   -2.2614424319  -2.6131378893  -0.8210901805
H    2.4789690378   1.4292007727   0.4049424533
H    2.1549318721   1.0301264506  -1.2692102388
H    1.7965980864  -2.1586511015  -0.7374919924
H    0.9898206145  -1.0764391478  -1.8587339609
H    3.6625717268  -0.9386265551  -1.1385063924
H    3.9473801457  -0.6363271757   0.5657603478
H    4.9326790865   1.5814257967   0.0118010136
H    4.6249666216   1.3040232010  -1.6882086916
H   -0.5744698466   0.2041527123   2.2663152383
H    0.0553729893   1.1827556880  -1.8696926911
H    6.9931931407   0.7710212591  -1.1327850032
H    6.1571086756  -0.6895004349  -1.6471220718
H    6.4697896989  -0.4092510063   0.0631508883
H   -2.5960600422   1.5537162389   2.2738336666
H   -1.9650594868   2.5366003530  -1.8530985476
H    0.1129455889  -3.3726367039   1.0577207563
H   -3.2696600162  -2.6418717713  -1.2032405425
*
