! 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    0.9269353684   0.9869969910  -1.4601745472
F    1.9195690712  -3.0511962258  -1.7709701435
F    3.8046332491  -3.8686764567  -1.1394697061
F    3.6373425889  -1.7674098692  -1.5731240444
O    0.9093069944   2.2148814558  -2.2281382294
O    0.8801529518  -0.2809611871  -2.1616491337
O   -0.0046007732   2.8953369623   0.6030527303
O   -6.1302327981   0.3982300592   2.0857913279
N   -0.4157418372   0.9329009412  -0.4636387312
N   -1.9587911727   1.8470649350   1.0176164718
N   -2.8057271458  -0.0799504360   0.0254404057
N   -4.0481686151   1.1604684096   1.5877745351
N   -4.9709572862  -0.7693878228   0.5950426562
C    2.5956344653  -0.0093287815   0.5334327677
C    1.8164010437  -1.2952413945   0.6809000174
C    2.2962132035   1.0447920115  -0.3351106318
C    2.6423478774  -2.5582048541   0.4289071681
C    3.6957094563   0.1695648122   1.3714246166
C    3.0644899107   2.2048035234  -0.3784929935
C    2.9956691277  -2.8019763579  -1.0122117586
C    4.4730809815   1.3137592283   1.3334313232
C    4.1627601145   2.3358255131   0.4494409297
C   -0.7335877036   1.9553835468   0.3849933816
C   -2.9627782441   0.9340311384   0.8610656683
C   -3.8476171233  -0.9085423885  -0.0793811260
C   -5.0109932009   0.2774235495   1.4163005789
C   -3.7038806132  -2.0668967929  -0.9988218698
C   -6.2746590305   1.4856004505   2.9990669312
H    1.4726517934  -1.3488695643   1.7157887785
H    0.9153377253  -1.3248437578   0.0758792518
H    3.5691141443  -2.5377282054   1.0049930053
H    2.0793867758  -3.4240580954   0.7824238375
H    3.9479328656  -0.6100551755   2.0799963440
H    2.8092998596   3.0086854794  -1.0532259274
H    5.3201586837   1.4082853896   2.0000047416
H    4.7605983435   3.2360390771   0.4112403617
H   -1.1284455905   0.2072400164  -0.6348288230
H   -2.1577519668   2.5985415137   1.6660731789
H   -4.6732352900  -2.4833838119  -1.2607037581
H   -3.1694326632  -1.7828773175  -1.9039179992
H   -3.1194176622  -2.8496053512  -0.5096647551
H   -7.2713895367   1.3834159699   3.4192084980
H   -6.1929668701   2.4472230699   2.4932419418
H   -5.5378625059   1.4342526614   3.8003430464
*