! 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   2.5126589093  -0.6996040894  -1.5952572513
Cl   0.4392543144  -5.3854198871  -0.1427097321
O   -1.0297953689   1.0554666490   0.5807910970
O    0.3427962172   1.2514503432  -1.1679969768
N    1.2804957414   2.6192383470   1.1021775854
N    2.0882479974   3.3651024926   0.3461682469
N    0.7189318333   4.6658171202   1.5479055119
C    0.2164847052   0.6572678654   0.0821876016
C   -1.8311518738   1.5708105733  -0.4853584151
C   -0.9622343800   1.3064681169  -1.7089131784
C   -3.1943980220   0.9151775694  -0.5301004636
C    1.2984974252   1.1833217644   1.0288345002
C    0.2945714334  -0.8684478487   0.0023197754
C   -4.0398711108   1.1676074636   0.7119408479
C    1.2778899185  -1.5422929827  -0.7215143396
C   -0.6254471394  -1.6464357868   0.6989077294
C   -5.4112489997   0.5169974810   0.6205588962
C    1.3274069365  -2.9276296676  -0.7740459862
C   -0.5969609990  -3.0302505602   0.6684230816
C    0.4649643728   3.4066373346   1.8087098657
C    0.3819561346  -3.6601081586  -0.0787323235
C    1.7185502982   4.5820992258   0.6473976064
H   -1.9488059773   2.6495349536  -0.3281923940
H   -1.2301648131   0.3635358887  -2.2025452148
H   -1.0039042618   2.1055670020  -2.4475746684
H   -3.0805012509  -0.1612881558  -0.6967899409
H   -3.7159641837   1.3081322222  -1.4095991019
H    2.2912312830   0.8765891864   0.7074347320
H    1.1311541324   0.7690147959   2.0229162194
H   -4.1551261482   2.2457184777   0.8596904914
H   -3.5198691033   0.7918064827   1.5970029729
H   -1.3927434925  -1.1631334549   1.2865768627
H   -5.3311158412  -0.5664553306   0.5109709233
H   -6.0043177942   0.7115828647   1.5152952909
H   -5.9762545034   0.8923300730  -0.2350988337
H    2.0961540826  -3.4237608294  -1.3503122352
H   -1.3314008284  -3.6012340607   1.2192001725
H   -0.2733645568   3.0265638870   2.4961827049
H    2.1902688988   5.4460866082   0.2052718387
*