! 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    1.6257489373  -1.5056766958   0.6834065789
O    3.7445558004   0.5702787434  -0.3186110233
O   -0.2287354842   1.7450844442   0.8846699442
N   -0.8618135372  -0.1510656673  -0.1994401564
C    3.4264939090  -1.5755864334   0.7787296667
C    4.0329610236  -0.8164652441  -0.3760207290
C    1.4527348217   0.1961018136   0.2028782630
C    2.4716990814   0.9893551563  -0.1769290487
C    0.0582241653   0.6971134251   0.3349623065
C    2.3787206838   2.4420500574  -0.5106123256
C   -2.2590564155  -0.0960700883  -0.1285623711
C   -2.9840700955   1.0245404725   0.2777056973
C   -2.9493981536  -1.2502473987  -0.5086591797
C   -4.3713706498   0.9675949799   0.3097999913
C   -4.3320144193  -1.2893776098  -0.4767329902
C   -5.0556516225  -0.1792157134  -0.0613719162
H    3.7107758251  -2.6258921692   0.7234709239
H    3.7704624144  -1.1780729123   1.7339503492
H    5.1194862028  -0.8903638284  -0.3438641670
H    3.6916254592  -1.2308064986  -1.3282355092
H    2.9249883679   3.0328441202   0.2288504021
H    1.3616081506   2.8156069465  -0.5451751564
H    2.8455104784   2.6251370620  -1.4799273686
H   -0.4994983816  -0.9448923226  -0.7094077212
H   -2.4879817773   1.9379355051   0.5609954147
H   -2.3976970301  -2.1272355892  -0.8279213819
H   -4.9195603443   1.8452346585   0.6277395439
H   -4.8432580272  -2.1957699872  -0.7744129301
H   -6.1367292653  -0.2079410084  -0.0303696126
*