! 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    1.6796300471  -1.6014434317  -0.3398039030
O    3.7610291914   0.6555890505   0.1538421147
O   -0.2000499513   1.6894653332  -0.9377726548
N   -0.8768281384  -0.2077434888   0.1161150947
C    3.2823017528  -1.7094388926   0.4748204561
C    4.2041986361  -0.6669779087  -0.1102036960
C    1.4583296994   0.1534514963  -0.2092824558
C    2.4726313020   1.0111480796   0.0367641538
C    0.0655784488   0.6345325322  -0.3850969322
C    2.3390753979   2.4799146911   0.2799820872
C   -2.2698582597  -0.1169288800   0.0624600916
C   -2.9812487370  -1.1896229819   0.6088656092
C   -2.9782361139   0.9536580860  -0.4861701638
C   -4.3642699311  -1.1967474756   0.6075694923
C   -4.3669801097   0.9297366630  -0.4823309274
C   -5.0708830771  -0.1343997428   0.0591386967
H    3.6800587980  -2.7038038789   0.2742770602
H    3.1775536576  -1.5932136209   1.5541888205
H    5.1921562715  -0.7359932997   0.3453826043
H    4.3146851777  -0.8149366304  -1.1868605409
H    3.0287772768   2.7762637615   1.0710094173
H    1.3394305549   2.7796913879   0.5728595230
H    2.6090165022   3.0430849594  -0.6154455224
H   -0.5269985292  -1.0143809733   0.6146290559
H   -2.4443463245  -2.0280942577   1.0380682717
H   -2.4671244680   1.8018129813  -0.9099821476
H   -4.8897805603  -2.0397300146   1.0372903043
H   -4.9010885109   1.7679261781  -0.9114767453
H   -6.1527640553  -0.1369248541   0.0565945651
*