! 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   3.2163208816   0.8790208946   1.4883345903
Cl  -5.4997802094  -0.3959025682  -0.9228891373
O    0.3727484456   0.2513633801   2.0444922732
N    2.3903136864  -2.5303351778  -1.1336757669
N    1.8193336339  -3.3606838923   0.9982737480
C    0.3239946890   0.0810428892   0.6472901024
C   -1.1406304997  -0.0760179190   0.2197165794
C    0.9880795274   1.2656231260  -0.0613194310
C    1.0971531690  -1.1901245289   0.3485208569
C   -2.0833010074   0.8229614483   0.7197330472
C   -1.5802609638  -1.0730865451  -0.6407715194
C    2.2717463617   1.6992018506   0.2891684925
C    0.3488433611   1.9514063174  -1.0915573067
C    1.7417844513  -1.4061248635  -0.8599367553
C    1.1696856454  -2.2348027413   1.2603978415
C   -3.4189295041   0.7354156076   0.3720560518
C   -2.9188322490  -1.1793746447  -0.9970828549
C    2.8660065947   2.7870409952  -0.3322571459
C    0.9373626648   3.0335225304  -1.7286290951
C   -3.8293822722  -0.2733362856  -0.4871030116
C    2.1950303978   3.4608595762  -1.3399452690
C    2.3994697327  -3.4536450738  -0.1872776179
H   -1.7919115405   1.6283294884   1.3823393541
H   -0.8931727992  -1.7974096894  -1.0552563546
H   -0.6326510211   1.6357168230  -1.4159890674
H    0.1147471283   1.1513917019   2.2740460901
H    1.7368470836  -0.6524535583  -1.6406450009
H    0.6907124150  -2.1719236508   2.2295173735
H   -4.1300325365   1.4468866180   0.7691422984
H   -3.2370927417  -1.9691997900  -1.6635906053
H    3.8553295286   3.1040663993  -0.0310410942
H    0.4073402172   3.5380614000  -2.5251940506
H    2.6637084788   4.3093807467  -1.8201750401
H    2.9319927869  -4.3725325106  -0.4027537977
*