! 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   1.1244361802  -1.7329523379  -1.5131183158
S   -2.6627640487   1.2150557742   0.8194919360
O    1.6851994279   0.8166348324   0.7853413753
O   -1.1856360538   3.1007353328  -0.2684843781
O    3.0412876753   1.1473214368  -0.9707959437
N   -0.5301258139   0.9203051724  -0.6033298674
C   -0.8953361945  -0.3704569229  -0.2379482083
C    0.6861195812   1.3069928818  -1.2831820876
C   -2.0528382832  -0.3917931968   0.5494252092
C   -1.3353811961   1.9151201889  -0.1066072604
C   -0.2961047229  -1.5928810014  -0.5341435964
C   -2.6066440061  -1.5583205335   1.0403772934
C    1.9451944136   1.0676974938  -0.4801870202
C   -0.8408305062  -2.7708674012  -0.0425890425
C   -1.9844503221  -2.7578295267   0.7394653180
C    2.7739479297   0.5188121134   1.6789309831
C    3.1428577554  -0.9442406930   1.6286313168
H    0.7702183472   0.8257788985  -2.2546367952
H    0.6264325085   2.3778989109  -1.4854248039
H   -3.5004755224  -1.5340852779   1.6486808801
H   -0.3608272900  -3.7104143123  -0.2794812144
H   -2.3892397270  -3.6890238039   1.1102611466
H    3.6293942527   1.1576075288   1.4576255175
H    2.3988028073   0.7892830594   2.6645000647
H    2.2826959769  -1.5791697412   1.8427917730
H    3.5598280922  -1.2331125917   0.6645214110
H    3.8991310298  -1.1437724248   2.3889091060
*