! 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 "1-OCTANOL"
end
*xyz 0 1
Cl  -4.7547522279  -0.5391556343  -0.0385708792
O    1.8110667136  -1.2692543366  -1.1007296883
N    2.8884286423  -0.4225563232  -0.7571544405
N    0.4718772412   2.8264655020  -1.3026588293
C    2.4737959190   0.1698363113   0.5176534944
C    1.8366989747  -1.0292798184   1.2330053654
C    1.1474931120  -1.7479916266   0.0727780616
C    1.4422792407   1.2554858933   0.2339981443
C    3.6361464656   0.7811171067   1.2890624838
C   -0.3333729415  -1.4584665528  -0.0152261583
C    4.1054633736  -1.2123159221  -0.7283694660
C    0.5567191489   1.6849305921   1.2151268933
C    1.3584748262   1.8837798093  -1.0045169235
C   -0.8957721337  -0.7072512727  -1.0398434272
C   -1.1688594067  -1.9454698817   0.9865441422
C   -0.3745513683   2.6641702897   0.9165755087
C   -2.2532175467  -0.4209414924  -1.0518384758
C   -2.5267492916  -1.6711348377   0.9888839398
C   -0.3852537344   3.1977649020  -0.3612742154
C   -3.0582256637  -0.9007276054  -0.0336616983
H    2.6128847055  -1.6549503861   1.6766321960
H    1.1514788652  -0.7617862560   2.0344434922
H    1.2906651702  -2.8314708146   0.1510930418
H    4.3660035138   0.0339233446   1.6011385295
H    3.2613670383   1.2636479254   2.1919511844
H    4.1470976259   1.5436170170   0.6993000726
H    4.9579390725  -0.5488736335  -0.5903484462
H    4.2293195312  -1.6883653730  -1.7003553448
H    4.1432781007  -1.9920709113   0.0415945511
H    0.5760141981   1.2599674248   2.2112803646
H    2.0388569023   1.6006400978  -1.7980314389
H   -0.2810097729  -0.3260231255  -1.8421788986
H   -0.7596659193  -2.5468296445   1.7905086134
H   -1.0834393207   3.0046890143   1.6591070173
H   -2.6716512799   0.1747880720  -1.8519535831
H   -3.1588805233  -2.0535146356   1.7791205657
H   -1.1097001903   3.9577780475  -0.6332724310
*