! 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   -1.9128329274   1.6750118668  -1.0207987439
O   -3.7191402415  -1.2365278331   0.5407243010
N   -2.2088707236   0.0638503127  -0.5894259969
C    2.2749465611  -1.9826353562   0.4645243494
C    0.9941804181  -2.0047803463  -0.3649508547
C    3.1839692657  -0.7890952829   0.1902469093
C    0.0219480497  -0.8775865832  -0.0390500582
C    4.4844313892  -0.8489339841   0.9837957856
C   -1.2334997236  -0.9657625415  -0.8951448841
C    5.4647454981   0.2788920053   0.6725766186
C    4.9568118821   1.6667306640   1.0380977066
C   -3.3634528211  -0.1402511770   0.1261030770
C   -4.0425995025   1.1382013109   0.2813302599
C   -3.3768227141   2.1616542771  -0.2739675856
H    2.8327346369  -2.9028520416   0.2650249347
H    2.0190714834  -2.0113353300   1.5293068536
H    0.4880293532  -2.9622500772  -0.2077889318
H    1.2520911282  -1.9704735390  -1.4290349040
H    2.6565985200   0.1406911269   0.4203876583
H    3.4146519179  -0.7506107082  -0.8809027896
H    0.5011464068   0.0931604197  -0.1960253118
H   -0.2580903000  -0.9223492132   1.0174801871
H    4.9766559187  -1.8067367646   0.7859332098
H    4.2560568618  -0.8439957216   2.0555901019
H   -1.7353167164  -1.9211371180  -0.7420961183
H   -0.9803227536  -0.9099362011  -1.9564134929
H    6.3981960598   0.0907694041   1.2102836794
H    5.7210437155   0.2525751737  -0.3913754020
H    4.0767804824   1.9505723382   0.4589447947
H    4.6867533074   1.7242970948   2.0950567706
H    5.7190006845   2.4259895508   0.8547398252
H   -4.9848578096   1.2285635510   0.8004115111
H   -3.6612167409   3.2038172920  -0.2944286126
*