! 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    0.3227421644  -0.8373703695   0.6533229967
F    5.3589222357  -3.3858686019  -0.1823843706
F    4.9495904956  -1.3632926076   0.4196851097
F    5.5563752505  -1.7794966440  -1.6014866724
O    0.4345107130  -2.1103754493  -0.0251565590
O    0.1384608419  -0.8218162205   2.0932320428
O   -0.4501394573   0.0151893290  -2.0926257803
O   -4.5602419049   0.8892142378   2.5851096648
N   -1.0294227682  -0.0263989028   0.1005822023
N   -2.4892889778   0.7909420648  -1.5128478300
N   -4.6274659408   1.5523303013  -1.3123943252
N   -3.4663741704   0.8216412045   0.5941328018
N   -5.6791875386   1.5831613867   0.7912527785
C    2.5971110387   0.0133035320  -0.7752265658
C    2.6929040811  -1.2213867300  -1.6346114943
C    1.6555182302   0.2566601480   0.2311556957
C    3.3612203382  -2.4330559566  -0.9795519555
C    3.5452159731   1.0158644756  -0.9879710455
C    1.6765166883   1.4260075036   0.9915943197
C    4.7988615751  -2.2352063445  -0.5896334935
C    3.5711003345   2.1832104110  -0.2475831582
C    2.6349629041   2.3908366607   0.7546179890
C   -1.2594411618   0.2308678190  -1.2190337325
C   -3.5595466220   1.0619993302  -0.7072015298
C   -5.6651136424   1.7969721873  -0.5166184490
C   -4.5544452642   1.0984634317   1.2925421432
C   -6.8841032690   2.3719229545  -1.1436582093
C   -3.3898112480   0.3563000338   3.2064917228
H    1.7110504406  -1.5368384336  -1.9752637003
H    3.2435177146  -0.9552742014  -2.5376932925
H    2.8153141315  -2.7524831554  -0.0921214002
H    3.3228015378  -3.2642833556  -1.6867375099
H    4.2832092621   0.8722915825  -1.7669222379
H    0.9422291563   1.5960281834   1.7676996048
H    4.3251381133   2.9313173758  -0.4535755431
H    2.6463102220   3.2963650878   1.3454262229
H   -1.7792437373   0.1776169498   0.7736686305
H   -2.6295846670   0.9939593997  -2.4947280770
H   -6.7486877876   3.4473652605  -1.2800494708
H   -7.0564381333   1.9414161114  -2.1284749975
H   -7.7594954317   2.2200952688  -0.5172490180
H   -3.6329390255   0.2689864052   4.2616398159
H   -2.5365345169   1.0255623342   3.0937847298
H   -3.1445188552  -0.6316787339   2.8164516472
*