! 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    0.3110444137  -0.8971763910   0.6465322610
F    5.4163062874  -3.3089411511  -0.1245503371
F    4.9408943786  -1.2933732201   0.4518549499
F    5.5789790787  -1.7124569906  -1.5590120425
O    0.4508228694  -2.1704648510  -0.0263855009
O    0.1224966235  -0.8803709128   2.0859730983
O   -0.4666073685  -0.0729026134  -2.1051281350
O   -4.5556793991   0.8900996966   2.5723700794
N   -1.0540397163  -0.1155460255   0.0858923805
N   -2.4905960045   0.7424083388  -1.5266424866
N   -4.5940830419   1.5924138260  -1.3185096676
N   -3.4656123413   0.7952581867   0.5808029857
N   -5.6408193971   1.6559360599   0.7868663895
C    2.5675810525   0.0011007303  -0.7812304344
C    2.7020080056  -1.2401262536  -1.6257654102
C    1.6191764390   0.2257514328   0.2229346002
C    3.3984529391  -2.4244196426  -0.9500504866
C    3.4855882282   1.0291550574  -1.0037252197
C    1.6068069811   1.4014011489   0.9738434378
C    4.8259617671  -2.1800088423  -0.5493876293
C    3.4770489840   2.2035604251  -0.2742404900
C    2.5362915886   2.3919261823   0.7274937742
C   -1.2728588626   0.1569987967  -1.2323808757
C   -3.5482163770   1.0515857060  -0.7183271658
C   -5.6181741113   1.8790762869  -0.5192507672
C   -4.5398853347   1.1140809965   1.2824467075
C   -6.8076672950   2.5186562507  -1.1402936636
C   -3.4121248069   0.2941610763   3.1866738644
H    1.7312833999  -1.5862326241  -1.9688243640
H    3.2516987924  -0.9704617545  -2.5282891353
H    2.8539911958  -2.7480607264  -0.0633060798
H    3.3900431202  -3.2652300935  -1.6464719308
H    4.2266687979   0.9004339395  -1.7823407348
H    0.8676367218   1.5575290784   1.7484150860
H    4.2081304478   2.9720749896  -0.4878210705
H    2.5216195167   3.3021481096   1.3109424905
H   -1.8012191008   0.1010559869   0.7581125261
H   -2.6233463166   0.9549817680  -2.5075260553
H   -7.0066671050   2.0983492756  -2.1245258399
H   -7.6872534150   2.4131789969  -0.5103227575
H   -6.6155813358   3.5853278858  -1.2775346238
H   -3.2088035123  -0.6960126989   2.7785048201
H   -3.6625022536   0.1977735545   4.2392860111
H   -2.5299217955   0.9274838828   3.0891264692
*