! 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
S   -1.4803079504   0.8068034896   1.1356427952
O   -2.3078890359  -0.0128710092  -2.4460760088
N   -1.8344367888  -0.1631343847  -0.2080505669
C    2.0511930476  -2.1935792822  -0.6626429113
C    0.6064137743  -1.8094621189  -0.9756110940
C    2.6784618231  -1.4520739143   0.5182912568
C   -0.3704705365  -2.1349999604   0.1466201527
C    2.6423222011   0.0663059050   0.3926548620
C   -1.7791918520  -1.6097345483  -0.0934162301
C    3.3428304726   0.7856539574   1.5382015933
C    3.2491858986   2.2995547819   1.4213192833
C   -2.0618625598   0.5266709974  -1.3748465451
C   -1.9585798036   1.9525103316  -1.0957560732
C   -1.6532535483   2.2212837604   0.1822164834
H    2.6585649782  -2.0121913536  -1.5548347172
H    2.1075622759  -3.2709720262  -0.4762747250
H    0.2885602750  -2.3290172986  -1.8842970945
H    0.5620640362  -0.7436533672  -1.2157118033
H    3.7188805000  -1.7786787788   0.6153371366
H    2.1925523183  -1.7488461033   1.4534428139
H   -0.0037422267  -1.7517593249   1.1038408662
H   -0.4422890888  -3.2192180376   0.2716566873
H    1.6045912498   0.4126348548   0.3510379399
H    3.0987400227   0.3653431670  -0.5581825475
H   -2.4468019773  -1.9275093882   0.7100670151
H   -2.1893393187  -2.0073595348  -1.0212796904
H    2.9026753562   0.4668582046   2.4884977236
H    4.3941862489   0.4834268685   1.5747696997
H    3.7476347052   2.8012618072   2.2523417076
H    3.7104200995   2.6578695171   0.4985142760
H    2.2084028891   2.6313971684   1.4155951631
H   -2.1109015865   2.6991107189  -1.8605649199
H   -1.5178770022   3.1892136057   0.6429246820
*