! 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   -1.2621470413   1.4036767054  -0.3830672014
O   -3.9233305254  -1.2480453770  -0.5686832099
N   -1.9682635659  -0.0824204727  -0.7797658126
C    1.6165293585  -0.9715542012  -0.1001907035
C    0.3741393607  -1.6187274675   0.5003055607
C    2.6031725497  -0.4888911405   0.9554284901
C   -0.6165675692  -2.1594192227  -0.5253723622
C    3.8397386063   0.1731108140   0.3610556520
C   -1.2164031023  -1.1214304466  -1.4644353228
C    4.8395688220   0.6421908622   1.4103221864
C    6.0664209873   1.3064366792   0.8040329872
C   -3.2694301649  -0.2308752178  -0.3706809208
C   -3.6883776084   0.9935378765   0.2958417447
C   -2.7204156399   1.9216445040   0.3505002800
H    1.3400329099  -0.1212175617  -0.7332388891
H    2.1128572509  -1.6873514268  -0.7647993698
H   -0.1261207604  -0.9091000636   1.1673332009
H    0.6844908944  -2.4502011904   1.1401690805
H    2.9077971859  -1.3347419913   1.5815559164
H    2.0987180784   0.2171856646   1.6244242490
H   -1.4290875655  -2.6775802962  -0.0105993410
H   -0.1236424982  -2.9098542028  -1.1506877817
H    3.5334371482   1.0271875830  -0.2535008842
H    4.3345572736  -0.5270894494  -0.3212944129
H   -1.8970928141  -1.6054670252  -2.1654059920
H   -0.4480601551  -0.6418774484  -2.0721630105
H    4.3472362486   1.3398441848   2.0950660589
H    5.1515303493  -0.2109277651   2.0209820461
H    5.7945017343   2.1883258789   0.2201091309
H    6.7704562859   1.6284824011   1.5730622880
H    6.5995376962   0.6248551745   0.1377370627
H   -4.6833416063   1.1188286804   0.6956053307
H   -2.7709682090   2.9081599879   0.7881601621
*