! 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    0.5825348246  -0.2880019141   1.0035125415
F    4.6831471000  -3.1337303564  -2.0363828162
F    2.9045550405  -3.8371137798  -1.0552316237
F    4.8069273604  -3.9732427093  -0.0579085380
O    0.8197640772  -1.6499024228   0.5774045920
O    0.3417203608  -0.0247834430   2.4109145002
O   -0.1505251372  -0.0037735037  -1.8732106470
O   -4.5057812225   1.2170518118   2.4903628852
N   -0.8030019633   0.2991263615   0.2788519057
N   -2.2800851889   0.6359302245  -1.4838763313
N   -4.5010693219   1.1473687147  -1.4633035017
N   -3.3349791967   0.9322518065   0.5637912036
N   -5.6301351016   1.4274168483   0.5812794446
C    2.8503737103   0.4505545274  -0.4894964875
C    3.0320871710  -0.8962621117  -1.1384707593
C    1.8564711091   0.8067110846   0.4287355520
C    3.8555821783  -1.8255542175  -0.2442372765
C    3.7872425562   1.4370846272  -0.8020858280
C    1.7976433189   2.0821919799   0.9898953494
C    4.0594539887  -3.1867140421  -0.8475691774
C    3.7403574273   2.7050740856  -0.2516353227
C    2.7369713195   3.0345309469   0.6477962788
C   -1.0096646656   0.2805077153  -1.0695813226
C   -3.4063463208   0.9141516267  -0.7606533537
C   -5.5910056281   1.3994106468  -0.7431400459
C   -4.4755213223   1.1875661299   1.1816949844
C   -6.8582439714   1.6321974900  -1.4845078913
C   -3.3012493409   0.9693025635   3.2171401637
H    2.0779987722  -1.3449720672  -1.3967404129
H    3.5647342255  -0.7322339307  -2.0759825028
H    4.8390429420  -1.3901576029  -0.0539287738
H    3.3742050653  -1.9589285199   0.7250797770
H    4.5732075182   1.1956255713  -1.5070263630
H    1.0180664753   2.3425832762   1.6933661547
H    4.4877819400   3.4371972833  -0.5274220623
H    2.6861353356   4.0226685847   1.0837742770
H   -1.5963686838   0.5408956023   0.8869252052
H   -2.4039361198   0.6384004322  -2.4887944934
H   -7.5933665232   2.1364336013  -0.8624041860
H   -6.6804506980   2.2118319926  -2.3885774167
H   -7.2784687384   0.6723242913  -1.7938914712
H   -2.5419856908   1.7206497754   2.9993163021
H   -2.9096435745  -0.0279900014   3.0161014888
H   -3.5738257213   1.0360178765   4.2664910744
*