! 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   -2.2307322974  -0.2083001065  -1.5702247983
F   -0.1517292807   3.0777413500   0.1844017404
F    0.9053082880   4.5370239967  -1.0064594755
F    7.0936311889  -1.4391401331   0.9030041543
F    5.3655553797  -2.0546795179   2.0468115373
O   -2.0517930492  -0.7153223461  -2.9129948416
O   -2.5563337491   1.1893155763  -1.3601076354
O   -2.6473157354   0.5879358765   1.4859920052
O   -4.7275139061   1.3785750735   1.2666055339
O   -0.6369905721  -2.6490318357  -1.0539178033
O    2.0562377104   2.9619860860  -0.0903929115
O    5.3519502634  -0.1686940122   0.8667097366
N   -0.8055544438  -0.4148137394  -0.7236192589
N    1.1616278431  -1.5670823848  -0.2342542693
N    1.5641737763   0.7251222148  -0.1349407146
N    3.2408238519  -0.8607635119   0.3339197855
C   -3.4502908379  -1.2118198524  -0.7664920855
C   -4.1753460111  -0.7285171501   0.3237747926
C   -3.7748714988  -2.4221665474  -1.3615026430
C   -5.2421311991  -1.4804539777   0.7972677511
C   -4.8212147132  -3.1749816264  -0.8526749287
C   -5.5568840755  -2.7017353662   0.2206881082
C   -3.8880265868   0.5454582156   1.0480693553
C   -0.1332613655  -1.6052979079  -0.7072716246
C    2.0094395856  -0.5152031881  -0.0063191894
C    2.4470730285   1.6899401961   0.0590961839
C    4.0897399837   0.1241967821   0.5332210432
C    3.7629798937   1.4648127136   0.4066542554
C   -2.2605451339   1.7393812014   2.2397210405
C    0.8523228834   3.2387658303  -0.6967270791
C    5.7568028714  -1.4864549601   0.8935419201
H   -3.2295664012  -2.7809283846  -2.2216920889
H   -0.3330887799   0.4320609313  -0.4051186457
H   -5.8245413151  -1.1158290329   1.6327528150
H   -5.0677685357  -4.1228596547  -1.3105430136
H   -6.3851353343  -3.2781761794   0.6094213987
H    1.5893781935  -2.4805109575  -0.1466252019
H    4.4767289230   2.2616653613   0.5534152195
H   -1.2079135394   1.6055396586   2.4692557777
H   -2.8235821197   1.7997271502   3.1708734711
H   -2.4044118299   2.6578836089   1.6732877100
H    0.6586073014   2.6459724071  -1.5912927362
H    5.4056180295  -2.0783831059   0.0495043497
*