! 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   0.1824581065  -1.9981903683   1.6550880123
Cl  -4.2254537843  -1.6076416699   1.6402950243
Cl   0.6938996160  -4.4193444162  -3.1038968657
S    1.0173895597   2.3276612269  -1.0118766539
N    1.7161467833   3.4430863649   1.6356800072
N    1.8201558010   0.1251581836   0.4758572467
N    0.5164965351   3.3806354766   2.2144541901
N    1.1003847690   5.5097011665   1.8431753908
C    2.4399735292   2.2472270249   1.3029418982
C   -0.2657757954   1.3209985706  -1.8056884799
C    1.7405613448   1.3689217143   0.2849470267
C   -1.2232168259   0.6053916864  -0.8962095781
C   -1.6010256022   1.0998466079   0.3466466326
C   -1.7899535006  -0.5852376296  -1.3411443445
C    1.5070490121  -0.8864480891  -0.4107648353
C   -2.5288514853   0.4277649765   1.1269351634
C   -2.7175157049  -1.2691809092  -0.5729806340
C    2.0512314973   4.7164668002   1.4155124594
C    0.7901228163  -1.9961345047   0.0453850285
C    1.9959445875  -0.9202227828  -1.7164704479
C   -3.0798316212  -0.7530096355   0.6600593972
C    0.5327864533  -3.0806840160  -0.7728198868
C    1.7553936342  -1.9996810384  -2.5489950953
C    1.0168516942  -3.0695489436  -2.0709621374
C    0.1864691327   4.6418942247   2.3200548880
H    2.6122155363   1.6531541110   2.1989558454
H    3.4141273097   2.5431246693   0.9091427473
H    0.1802652336   0.6316362630  -2.5201934163
H   -0.8019094409   2.0710286898  -2.3947131608
H   -1.1644195194   2.0123303070   0.7330262487
H   -1.5022561681  -0.9955303459  -2.3016240579
H   -2.8073661417   0.8222198355   2.0947654105
H   -3.1415217400  -2.1973366644  -0.9314574211
H    2.9813295167   5.0082116817   0.9530042135
H    2.5905027385  -0.0929545633  -2.0835853558
H   -0.0442382512  -3.9168120507  -0.4029733267
H    2.1453396223  -2.0001190980  -3.5575252039
H   -0.7492463336   4.9499869009   2.7603279336
*