! 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  -0.5622019896  -2.2674739631  -0.7807830496
Cl   2.8177170927  -2.2919182184  -0.2273679642
S   -2.7647286701   2.9625871246   0.2298603373
O   -0.0220042899   1.3892804737   0.7128013886
N   -2.4450580409   0.5969180004  -0.9955540347
N   -3.1956539566  -0.4699813690  -1.3444162977
N   -4.5158608237   0.9545169326  -0.3597439192
C   -0.4050346366  -0.9259400530   0.3857492270
C    0.1115591848  -1.2950643603   1.7313928307
C   -1.3438748551  -0.9835656433   1.5475562538
C   -0.0445156804   0.4040970772  -0.2807114732
C   -1.0606469283   0.7437971120  -1.3879376974
C    1.3445567888   0.3721532216  -0.9571922413
C    2.4963332242   0.4038567444   0.0063129497
C    3.2059436274  -0.7246786578   0.4116698959
C    2.9073935932   1.6276480138   0.5387307413
C   -3.2682248858   1.4824925926  -0.3847887760
C   -4.4256446031  -0.2212208038  -0.9306217276
C    4.2524552884  -0.6524875904   1.3213941657
C    3.9486179110   1.7212244813   1.4463143368
C    4.6196045461   0.5745292138   1.8466418341
H    0.7315439286  -0.5703255915   2.2424316363
H    0.3974458345  -2.3249763490   1.8951633266
H   -2.0483314677  -1.8043352606   1.5802991492
H   -1.7251714149  -0.0519727635   1.9453467004
H   -0.8973563847   0.1276084078  -2.2707613127
H   -0.9240842977   1.7815683979  -1.6979878359
H    1.4135652483   1.2589394677  -1.5939830382
H    1.4109283126  -0.4861788349  -1.6254589552
H   -0.8196955815   1.9533727037   0.6648901538
H   -2.7813626925  -1.3268286423  -1.6878102357
H    2.3966815616   2.5277878874   0.2231155217
H   -5.2288401390  -0.9278615357  -1.0666646402
H    4.7789499369  -1.5511190458   1.6135310880
H    4.2371275872   2.6873776363   1.8391047381
H    5.4345194796   0.6309561835   2.5562687335
*