! 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  -0.4419437219   1.2130007862  -2.3820780594
Cl   3.7254811487   2.6954791337   0.5858892197
O   -2.3839635521   0.0281299845  -0.4772227326
O   -1.6140963328  -1.1526864768   1.2753934826
N    0.1383265795  -2.6107645815  -0.5333645459
N    0.0395869027  -3.5614034766   0.3989579477
N    2.1703174068  -3.3169718875  -0.2477907884
C   -1.2734328573  -0.6615007702   0.0111412871
C   -3.2718933492   0.2955743358   0.6063946087
C   -2.9831490362  -0.8806854923   1.5243026873
C   -0.9991176696  -1.8348298271  -0.9500540960
C   -0.0397295650   0.2290856998   0.1437962517
C   -3.0255570360   1.6537092724   1.2443024840
C   -3.1244198963   2.8061424312   0.2578255064
C    0.4032351788   1.0715472099  -0.8743525452
C    0.7344397368   0.1708205046   1.2994259021
C    1.5533391364   1.8364010807  -0.7462245762
C    1.8886857652   0.9191909871   1.4530066216
C    1.4151840467  -2.4719955112  -0.9043343630
C    2.2879535648   1.7511289321   0.4228199398
C    1.2785017538  -3.9585416849   0.5341841726
H   -4.2865873916   0.2542266142   0.2034248805
H   -3.1090840225  -0.6481783365   2.5823928757
H   -3.6044656935  -1.7490363285   1.2829372450
H   -0.8127682017  -1.4701787388  -1.9585684723
H   -1.8720099681  -2.4858993314  -0.9890015785
H   -3.7728255642   1.7801621402   2.0325379909
H   -2.0519210170   1.6678607826   1.7433918786
H   -2.3817752236   2.7237399556  -0.5362240661
H   -4.1099158418   2.8451858048  -0.2118957824
H   -2.9639321628   3.7607764718   0.7598129604
H    0.4339424327  -0.4779260781   2.1091865545
H    1.8691574470   2.4847507984  -1.5518331518
H    2.4640901667   0.8459628032   2.3651681161
H    1.7371085668  -1.7632981868  -1.6518976432
H    1.5499159486  -4.7462988893   1.2199162993
*