! 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   -3.2604157434  -0.5533204664   0.4434781174
O   -1.4906231022   2.1764944894  -1.4496251688
N   -2.0755358764   0.1616328698  -0.5325070978
C    2.2651922484  -1.9705480144   0.8476032944
C    1.3108381851  -1.5886512615  -0.2803596808
C    2.8823699340  -0.7973728950   1.6071828625
C    0.1126635328  -0.7682991145   0.1807005059
C    3.6688269939   0.1931012287   0.7521486031
C   -0.9069052466  -0.5984258844  -0.9359389623
C    4.8601103977  -0.4162017315   0.0228784360
C    5.6788597594   0.6205843394  -0.7310053877
C   -2.2664854116   1.4964786248  -0.7893622612
C   -3.5106106833   1.9148801547  -0.1592799020
C   -4.1172071409   0.9287595542   0.5185674565
H    3.0585766608  -2.6009301946   0.4360241278
H    1.7298488495  -2.6040113109   1.5623928429
H    0.9529840090  -2.5092802668  -0.7528514124
H    1.8480847987  -1.0440597700  -1.0635691392
H    3.5435035132  -1.1991506425   2.3820301792
H    2.0985955718  -0.2559245104   2.1456351285
H    0.4285948310   0.2196448470   0.5258662831
H   -0.3595373242  -1.2627753179   1.0361874153
H    4.0257866998   1.0005138103   1.4001633535
H    3.0052994028   0.6736522169   0.0245082089
H   -1.2359309669  -1.5715200081  -1.3081927231
H   -0.4669897538  -0.0721191773  -1.7833929248
H    5.5010552517  -0.9322287889   0.7455077262
H    4.5200299142  -1.1827373773  -0.6798733538
H    6.0766953183   1.3821333921  -0.0568337504
H    6.5264484321   0.1655563665  -1.2463445700
H    5.0763515567   1.1333343700  -1.4839249250
H   -3.8837003647   2.9247724593  -0.2372638807
H   -5.0441576212   0.9773591364   1.0714102236
*