! 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   -2.3277680608   0.5746788768  -1.0356623488
O    4.8335600347  -0.3731782020  -0.4818685393
O   -2.5626210391   0.0967912525  -2.3784306409
O   -2.9620469883   1.7925682591  -0.5718776740
O    1.3213278999   2.4910811487   0.0168674483
O   -0.0125987285  -1.2093006556  -1.4554254728
O   -3.5649632938   1.3831391322   2.6964040562
O   -1.4331230568   1.3754415253   2.0211112315
N    3.3233908286   1.3178847217  -0.1246041764
N    1.5333417475   0.2823845490  -0.7236005010
N   -0.6939571560   0.8696389272  -0.8423912242
N    2.5588356105  -0.6180926657  -0.8926092478
C   -2.7015643431  -0.7282644375   0.1050482250
C    3.5972186785   0.0401853123  -0.5239034092
C   -2.8507182942  -0.4541481977   1.4656175146
C    1.9764384404   1.5005420298  -0.2419159479
C    0.2406852356  -0.1066467168  -1.0465096348
C    5.0998895851  -1.7382313147  -0.8658192595
C   -2.9410582318  -1.9941536190  -0.4044712853
C    5.1391119321  -1.9257822324  -2.3679886565
C    4.2715636796   2.2988045123   0.3537813099
C   -3.2453958788  -1.4822365699   2.3096866122
C   -3.3166081210  -3.0139357617   0.4568328641
C   -3.4670779355  -2.7577804005   1.8089817495
C   -2.5263539982   0.8748959348   2.0689896547
C    5.4928625298  -3.3664162857  -2.7092671579
C   -3.3782247577   2.6353758317   3.3642749105
H   -0.4311264649   1.7548454731  -0.4056509328
H    4.3629470206  -2.3954580660  -0.3981955038
H    6.0718796140  -1.9534917987  -0.4243123544
H   -2.8469296414  -2.1919765395  -1.4622529764
H    4.1722641751  -1.6729879348  -2.8068356403
H    5.8792963200  -1.2477815103  -2.7994910042
H    3.7345951584   3.2147600397   0.5821740363
H    4.7630033192   1.9475542075   1.2583337321
H    5.0168826341   2.5129665446  -0.4087470715
H   -3.3673519091  -1.2950165063   3.3682406964
H   -3.4981905378  -4.0043541233   0.0630603874
H   -3.7637986615  -3.5501386800   2.4826434309
H    4.7553042898  -4.0657695147  -2.3117601644
H    5.5283903326  -3.5088647526  -3.7890890168
H    6.4682464303  -3.6487995286  -2.3088876583
H   -4.3426484963   2.8871186824   3.7953081010
H   -3.0805691116   3.4151700430   2.6638210232
H   -2.6361957281   2.5541996057   4.1580949161
*