! 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  -2.9829191218   1.3542126603   1.9520279716
S    1.2993263730  -1.9621424457   1.0166938122
O    2.2675092021   1.7469269191   1.7415039856
O    1.5113795589  -3.3914406119   1.0558470180
O    1.1377613113  -1.2141397418   2.2499408169
O    0.6938549650   1.2585860792   0.2300233091
O    0.5413020928  -2.6344132562  -1.7614460067
O   -4.5866278959   1.6710195599  -2.7748668004
N   -0.0934283359  -1.6276916974   0.1714462835
N   -1.3015432147  -1.3296920601  -1.7907536437
N   -2.9563573540   0.1563647589  -2.2835060760
N   -2.1797710536  -0.0443861590  -0.0675797767
C    2.6155744301  -1.2210660495   0.0890551693
C    2.7935317816   0.1622266231   0.1108604237
C    3.5164091468  -2.0524960725  -0.5560548737
C    3.9000755313   0.7005445673  -0.5292255244
C    4.6093251821  -1.4970639453  -1.2037687780
C    4.7999365578  -0.1256200629  -1.1885954697
C    1.7883453065   1.0984326304   0.7042952388
C   -0.2277447746  -1.9191830784  -1.1580556399
C    1.3900305258   2.6872160406   2.3944201009
C   -2.1792226151  -0.3689685483  -1.3476744221
C    2.1151018946   3.2364989256   3.5940779500
C   -3.7904692899   1.1009794141  -1.8986963016
C   -3.8674761137   1.5485324153  -0.5704629646
C   -3.0132886203   0.9167142269   0.2914583428
C   -4.5058378101   1.2695738053  -4.1420760858
H    3.3793925179  -3.1238918984  -0.5529339255
H    4.0580760248   1.7708532672  -0.5257929458
H   -0.7442839038  -0.9433914918   0.5821440874
H    5.3121899817  -2.1412918779  -1.7134819853
H    5.6548193751   0.3089590440  -1.6885885846
H   -1.3697189640  -1.5481640671  -2.7764975509
H    0.4716734157   2.1756012200   2.6886254447
H    1.1256078785   3.4820447946   1.6944878970
H    1.4683182455   3.9539966305   4.0985684136
H    2.3638089317   2.4526934965   4.3093125424
H    3.0305716213   3.7557242589   3.3107526323
H   -4.5464905435   2.3307543783  -0.2676398633
H   -3.5127389273   1.4507177659  -4.5528108671
H   -5.2311304675   1.8830370353  -4.6692566110
H   -4.7624724247   0.2178111894  -4.2667704295
*