! 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   -0.4684612070   0.9670631286  -1.3233028422
O   -3.0454880075  -0.3560743238   1.0745803381
N   -1.5483217675  -0.1392779727  -0.6376402221
C    0.9955508634  -1.5544565604   1.0400043991
C    0.5928564758  -2.3001021251  -0.2308739740
C    2.4962268724  -1.2751263066   1.1246779717
C   -0.9124742541  -2.5462481734  -0.3693433198
C    2.9650522141  -0.0972650969   0.2706191847
C   -1.6731643902  -1.4907004726  -1.1595699043
C    2.5993654200   1.2606196974   0.8593179540
C    2.9496588379   2.4203773968  -0.0593074802
C   -2.2262466639   0.3192444184   0.4625748146
C   -1.8031097851   1.6860341686   0.7304034354
C   -0.8830695133   2.1328630390  -0.1397945829
H    0.6916208099  -2.1614198712   1.8982673266
H    0.4388458703  -0.6177235518   1.1337980265
H    1.1075326017  -3.2651249813  -0.2260345923
H    0.9669742562  -1.7786681860  -1.1186087495
H    3.0394816792  -2.1801919758   0.8337582926
H    2.7745219133  -1.0849398769   2.1662051547
H   -1.3669033223  -2.6640953015   0.6178115659
H   -1.0866225296  -3.4899198180  -0.8925978543
H    2.5503402019  -0.1786931906  -0.7401083122
H    4.0519333786  -0.1457357015   0.1495609283
H   -2.7355293817  -1.7364587526  -1.1907971340
H   -1.3287716518  -1.4800697086  -2.1950223436
H    1.5305731034   1.2933579640   1.0888827810
H    3.1144913331   1.3853740189   1.8171469559
H    4.0191376937   2.4467538025  -0.2797791994
H    2.4268063026   2.3446465809  -1.0157690305
H    2.6844914528   3.3814077001   0.3847321321
H   -2.2036726259   2.2642172748   1.5493857522
H   -0.4160705288   3.1069885279  -0.1655952332
*