! 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  -0.8906011004  -0.1061126530  -2.3494702490
Cl  -5.3104303766  -0.9391861149   0.5608609754
O    0.8756769379  -2.0120397968  -0.4094764369
N    1.4403854479  -0.8221163503  -0.0680238949
N    4.4507681976   2.2734011540  -0.6681349857
C    1.0699610098   1.4063728858   0.7153652233
C    0.5909838482   0.0440474607   0.3001904454
C   -0.8701285172  -0.2004478285   0.3504869763
C    2.5550481940   1.5799622557   0.6282129612
C   -1.6386678684  -0.2951334430  -0.8053426792
C   -1.5136059358  -0.3266216550   1.5762620642
C    3.4004215650   1.1932219833   1.6597336913
C    3.1433043312   2.1139399044  -0.5118434187
C   -3.0047063415  -0.5177985444  -0.7546520338
C   -2.8771430220  -0.5557193470   1.6572145073
C   -3.6083990591  -0.6518042531   0.4851130729
C    4.7678131140   1.3561398654   1.5110512986
C    5.2443230810   1.8974577751   0.3269911372
C    1.8662828847  -2.8938676537  -0.8980535495
H    0.5615560066   2.1483984266   0.0917472615
H    0.7217046268   1.6012427896   1.7348557904
H   -0.9381378246  -0.2551036145   2.4903947232
H    2.9942774169   0.7714269406   2.5714431866
H    2.5184667301   2.4321150566  -1.3413947046
H   -3.5843948937  -0.5870347754  -1.6645709645
H   -3.3563733840  -0.6590648511   2.6206282646
H    5.4545711403   1.0682211181   2.2954660938
H    6.3094126707   2.0354167494   0.1773035640
H    2.3481252726  -2.5073324143  -1.7993106996
H    1.3517758481  -3.8209097123  -1.1455984504
H    2.6313537057  -3.1046640498  -0.1465854629
*