! 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    1.4045249520   0.1053573362   1.6764980398
S    3.9170043397  -1.5338520226  -1.3028757938
O    1.6804508185   1.4984698591   1.9646816043
O    1.6030604545  -0.8986584314   2.6955665805
O   -4.7254774978   1.4148571787  -0.1111654860
O    0.7105363070   1.9458581152  -0.7811649858
O   -0.3001043853  -2.0545446674   0.5209031491
O   -2.8427464809  -2.6922831588  -0.7220561915
O    2.6289150176   2.8386031144  -1.5013272044
N   -0.2103580570   0.1019934437   1.2415684813
N   -2.1094151253  -0.6891700017   0.2573009075
N   -4.0934368184  -0.7417652645  -0.5829219132
N   -2.6420903770   0.5678831416   0.4553840930
C    2.2998558343  -0.3519946135   0.2395590683
C    2.9650737081  -1.5457769513   0.1244819585
C    2.5762029406   0.5698220278  -0.8246463449
C    3.4499819347   0.0493676809  -1.7235017032
C   -0.8206593313  -0.9783938009   0.6685092771
C    3.0187144464  -2.7513822299   0.9981515201
C   -2.9892844199  -1.5419791852  -0.3941963369
C   -3.8174214975   0.4816141417  -0.0569516450
C    1.9988143169   1.9141170845  -1.0563239371
C   -5.3212398112  -1.1480734025  -1.2279029234
C   -4.3960618138   2.6720447135   0.4886152168
C    0.0282161407   3.1922459557  -0.9208251102
H   -0.6880399980   0.9976229025   1.2633920810
H    3.8158882573   0.5149083749  -2.6262756194
H    2.0204829364  -3.1025506980   1.2489031895
H    3.5425767115  -3.5647235801   0.4971521647
H    3.5496831102  -2.5403744173   1.9258090624
H   -5.5269420143  -0.5203106608  -2.0920233954
H   -6.1567410726  -1.0998243090  -0.5328295781
H   -5.2076428554  -2.1744832186  -1.5642003908
H   -3.5425480738   3.1315004331  -0.0101680341
H   -4.1821471432   2.5541500890   1.5507350827
H   -5.2715184463   3.3009143038   0.3603873937
H   -1.0077303347   2.9917442777  -0.6603745832
H    0.0742528385   3.5596393526  -1.9456137881
H    0.4332467189   3.9437691918  -0.2433785567
*