! 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   2.2436652941   0.9540881664  -2.5175895695
Cl  -4.3659461381  -2.9596605809   1.2662848796
Cl   3.3045371627  -3.7135679052  -0.0703120455
S   -1.5474676262   3.1760612513  -0.1481799516
N    1.9294072837   1.9439530407   1.3023079567
N   -0.0802535991   1.0751775632  -0.6906600431
N    2.3705146186   0.9692754281   2.1012209235
N    4.0236492950   1.7217294599   0.7933406743
C    0.5632646321   2.3886060536   1.3409572892
C   -2.6260202166   2.2131964947  -1.2527423372
C   -0.2316509261   2.0421275870   0.0995898732
C   -3.0860632244   0.9261814496  -0.6356322075
C   -2.7716071509  -0.2911723603  -1.2283118804
C   -3.8174842096   0.9221892977   0.5485911942
C    0.7638253775  -0.0043649658  -0.4835894585
C   -3.1671497105  -1.4908880858  -0.6556773879
C   -4.2188086577  -0.2663560392   1.1365173076
C    2.9264319709   2.3842329806   0.5272918610
C    1.8612012990  -0.2238374360  -1.3145843476
C    0.4597627199  -0.9767596332   0.4673956480
C   -3.8835681917  -1.4669413262   0.5287681810
C    2.6544540689  -1.3510614117  -1.1888034740
C    1.2295880630  -2.1177589915   0.5985391081
C    2.3262928187  -2.2934480953  -0.2286711316
C    3.6274246829   0.8672194655   1.7594183859
H    0.5408252505   3.4682981888   1.4991374968
H    0.0861062611   1.9359261823   2.2099624462
H   -2.1104919896   2.0445135309  -2.1968789535
H   -3.4639771171   2.8843697923  -1.4519597070
H   -2.1989464476  -0.3118378042  -2.1462477296
H   -4.0736339729   1.8565868319   1.0331582907
H   -2.9062501339  -2.4290198159  -1.1263554537
H   -4.7842786245  -0.2532912175   2.0584193923
H    2.8076639070   3.1775367856  -0.1938237985
H   -0.4050326073  -0.8394103674   1.1032778945
H    3.5095220910  -1.4901730179  -1.8356709223
H    0.9727355932  -2.8584881342   1.3431184203
H    4.2882073688   0.1556218293   2.2290309764
*