! 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   -1.3450837838  -0.8566542571  -1.8382627236
F   -0.8103197376  -2.0697349390   0.9238031310
F   -0.9317895012  -0.1081500151   1.8095976059
F   -2.0396957186  -1.7427574185   2.6443591138
O   -1.6719672230  -0.2153255873  -3.0886255929
O   -0.8730452506  -2.2258354239  -1.8380710306
O   -1.3410751705   1.9471394373  -0.9909867900
O    3.8397103077  -1.4924765591  -0.1767908369
O    4.9171428484   2.6818024441   1.5456279159
N   -0.1740306717   0.0033278898  -1.0398963991
N   -3.8549449664  -0.3987235134  -1.4785117910
N    0.7715674473   1.9447969722  -0.1897209936
N    2.2927531524   0.1872417207  -0.1810575228
N    2.8393620968   2.3138390243   0.6783557260
C   -2.7958416740  -0.6867222506  -0.7629370876
C   -2.8191591516  -0.8550314451   0.6226535058
C   -4.0410665141  -0.6333003640   1.2481982176
C   -1.6410416773  -1.1993153004   1.4934862059
C   -5.1545617566  -0.3048180897   0.4979423045
C   -0.3169545660   1.3401321278  -0.7666286985
C   -5.0190510103  -0.2177410562  -0.8746978925
C    2.0216098179   1.4477256359   0.1122133378
C    3.5163925260  -0.2454341960   0.1081538225
C    4.0528047186   1.8672029937   0.9706719645
C    4.4681770113   0.5683743527   0.6986894688
C    2.8651915108  -2.3405885862  -0.7786945966
C    4.5065673626   4.0096801274   1.8612540373
H    0.7400413979  -0.4341546414  -0.8498551953
H   -4.1365436637  -0.7161871806   2.3214122672
H   -6.1088681065  -0.1274578243   0.9717680760
H   -5.8647055738   0.0142419905  -1.5091613612
H    0.6310017453   2.9199160127   0.0423678444
H    5.4611664424   0.2161085970   0.9368460997
H    2.5343922841  -1.9567775214  -1.7446175544
H    3.3617176068  -3.2947496974  -0.9339264212
H    2.0066407667  -2.4959350768  -0.1239832916
H    5.3724111461   4.4828464981   2.3170037709
H    3.6790021125   4.0169480868   2.5708769305
H    4.2202282483   4.5680351826   0.9699895397
*