! 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   -3.1532039392  -0.1457669264   0.7447859514
O   -0.7285420485   1.0326064528  -1.8868278344
N   -1.9977064712  -0.2701496321  -0.4873905421
C    1.5405448542  -1.2237670774  -0.1019051175
C    0.3936323465  -1.5334708404   0.8527026873
C    2.6841233193  -0.4787813619   0.5776539497
C   -0.7627703346  -2.3056463436   0.2278061129
C    3.8068157638  -0.1154904964  -0.3875200428
C   -1.5002727333  -1.5730406919  -0.8880409590
C    4.9967043217   0.5881215366   0.2595779727
C    4.6641222936   1.9454682726   0.8642487860
C   -1.5617126710   0.9316030854  -0.9944089070
C   -2.2571437322   2.0057930574  -0.2994110044
C   -3.1151389783   1.5653350086   0.6322878355
H    1.1812417873  -0.6219897897  -0.9408640082
H    1.9168504207  -2.1579396730  -0.5333826520
H    0.0216180134  -0.6014141431   1.2914519902
H    0.7770644399  -2.1201432652   1.6927399071
H    3.0877319452  -1.0898187267   1.3933580901
H    2.2847760651   0.4266650291   1.0459715479
H   -1.4746852615  -2.5873227330   1.0101682868
H   -0.4004119586  -3.2482961504  -0.1919393075
H    3.4046903423   0.5181423692  -1.1862380857
H    4.1606557954  -1.0281957455  -0.8781242203
H   -2.3329341839  -2.1815868286  -1.2472898929
H   -0.8508472696  -1.4003268221  -1.7443244653
H    5.4283849317  -0.0591833208   1.0295159337
H    5.7779921853   0.7190720402  -0.4942991691
H    4.2162397892   2.6109568939   0.1225549940
H    3.9651450122   1.8663039244   1.6981328810
H    5.5606631441   2.4382631597   1.2444068502
H   -2.0804699230   3.0456904104  -0.5307691114
H   -3.7500258079   2.1522615086   1.2806335705
*