! 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   0.3001702288  -1.9233735992   0.2901402376
Cl  -6.0380155777  -1.2245081452   2.1075364200
Cl   5.5225091011  -2.4270153791  -0.8384604289
S   -1.2420906071   2.5787433980  -1.1593601511
N    1.8408110026   1.8209331381   0.9564362748
N    0.4486055265   0.5537821057  -1.3028192723
N    1.0710669895   1.1608051794   1.8236734403
N    3.2375803752   0.8199569404   2.2729563127
C    1.2511388723   2.5859849852  -0.1083732840
C   -2.2994302881   1.2920685847  -1.8761967020
C    0.2678576780   1.7334107924  -0.8935059518
C   -3.2177878760   0.6681782013  -0.8644593426
C   -2.7555090425   0.2296439934   0.3743169773
C   -4.5646836900   0.5036236468  -1.1679034291
C    1.6599356279  -0.1126711765  -1.1754425239
C   -3.6155644719  -0.3561408259   1.2881733771
C   -5.4395029390  -0.0827312022  -0.2640620387
C    3.1309167478   1.6066877915   1.2319363694
C    1.7239001932  -1.3133528397  -0.4663421948
C    2.8179067570   0.3285394350  -1.8142783694
C   -4.9550580287  -0.5064962606   0.9611480532
C    2.9055435480  -2.0250116896  -0.3518352357
C    4.0062816246  -0.3737366977  -1.7201632064
C    4.0423242096  -1.5427934541  -0.9784725351
C    1.9504091170   0.5740943311   2.5936487406
H    2.0460425935   2.9532425640  -0.7568415998
H    0.7507426927   3.4616394246   0.3074530985
H   -1.6407873164   0.5501274673  -2.3319309964
H   -2.8671054106   1.7630523579  -2.6780724218
H   -1.7149123279   0.3507756999   0.6488888865
H   -4.9492515550   0.8415507709  -2.1225099458
H   -3.2430466994  -0.6867948097   2.2483202389
H   -6.4853119658  -0.1958622891  -0.5158505185
H    3.9356210024   2.0383457028   0.6576583320
H    2.7840351393   1.2330671632  -2.4083188105
H    2.9338656566  -2.9435732252   0.2179091724
H    4.8914006742  -0.0068624022  -2.2213236650
H    1.6554862771  -0.0570190551   3.4173165732
*