! 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   -0.9874693840   1.3753830184  -0.0259702602
O   -3.7762881811  -0.9251278675  -1.0701256085
N   -1.7340632223   0.0673930411  -0.8030202096
C    1.6622687474  -1.2201356206   0.1240695071
C    0.3198129169  -1.8689235397   0.4422605174
C    2.5323351090  -1.0337359762   1.3614653929
C   -0.5602203264  -2.1318234417  -0.7755696070
C    3.9005064545  -0.4161890386   1.0829025515
C   -0.9622518388  -0.8973517037  -1.5707201799
C    3.8575891178   1.0355616991   0.6181426006
C    5.2446292609   1.6309647450   0.4284752032
C   -3.0850986983  -0.0314668616  -0.5943209701
C   -3.5074314217   1.0767025038   0.2495449394
C   -2.4943316552   1.8801466278   0.6104750055
H    1.5072090348  -0.2510419836  -0.3597158806
H    2.1976965076  -1.8363863041  -0.6071405763
H   -0.2220639600  -1.2578524069   1.1712778994
H    0.4986878376  -2.8266268430   0.9404760852
H    2.6757454812  -2.0073856285   1.8408851124
H    1.9976496535  -0.4148747542   2.0908452740
H   -1.4645684114  -2.6608694716  -0.4656393566
H   -0.0376176026  -2.7998983052  -1.4669801410
H    4.4274112697  -1.0218860255   0.3366317483
H    4.5042363515  -0.4730221216   1.9947017053
H   -1.5712764144  -1.1907979008  -2.4261736556
H   -0.0897719398  -0.3859156801  -1.9795496444
H    3.3028125758   1.1163201306  -0.3206926003
H    3.3021311757   1.6310804500   1.3500096193
H    5.8146122542   1.0824705171  -0.3243807513
H    5.1932119501   2.6717001309   0.1042707021
H    5.8196029700   1.6053421660   1.3565513084
H   -4.5364635670   1.2184592673   0.5426640590
H   -2.5395835828   2.7641666121   1.2297119162
*