! 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    0.3416107600  -0.8289410660  -1.0262772072
F    5.8687770490  -1.7662698500   0.4099075910
F    5.0230776455  -1.1138784706  -1.4570376794
F    5.5728664734  -3.1752853397  -1.1902869618
O   -0.0210206930  -0.6436927296  -2.4182704488
O    0.5898677345  -2.1687008568  -0.5418262804
O   -0.0867260215  -0.4162982961   1.8749640129
O   -6.5015973412   1.7828207699   1.9840155310
N   -0.9570278551  -0.1683759561  -0.2059926906
N   -2.1880545590   0.3809129649   1.6882147453
N   -3.4225395577   0.7546417211  -0.2470416417
N   -4.3376804778   1.0940140648   1.8903211490
N   -5.6424499424   1.4706731640  -0.0386375537
C    2.7588959385  -0.0428299296   0.1936113599
C    3.0225395161  -1.3756948048   0.8459633489
C    1.6732370289   0.2777999200  -0.6287124929
C    3.6433785911  -2.4432961009  -0.0586686640
C    3.6847929363   0.9777436544   0.4189883181
C    1.5322765933   1.5416335487  -1.2022308892
C    5.0195874328  -2.1206048778  -0.5697814260
C    3.5506959336   2.2374599746  -0.1351019299
C    2.4698349088   2.5242967745  -0.9558285283
C   -1.0062110408  -0.0982002283   1.1544415307
C   -3.3503105100   0.7539906711   1.0739746442
C   -4.5972032870   1.1251846486  -0.7620951191
C   -5.4535522839   1.4375085025   1.2787934242
C   -4.7019746931   1.1708130265  -2.2434029943
C   -6.4027795865   1.7934179794   3.4079604264
H    3.6789772300  -1.2049382718   1.6998681761
H    2.1085325236  -1.7903449080   1.2609183118
H    3.7121549255  -3.3722215712   0.5109331093
H    3.0075675757  -2.6515120688  -0.9188099540
H    4.5342288806   0.7734898474   1.0585818412
H    0.6853519393   1.7703576428  -1.8357887518
H    4.2929524195   2.9962480695   0.0748662745
H    2.3529890111   3.5039280793  -1.3983649949
H   -1.7841562703   0.1364730236  -0.7416962096
H   -2.2022175389   0.4209695283   2.6995371411
H   -4.2023780725   0.3157854970  -2.6965288074
H   -5.7397620608   1.2014073744  -2.5646966225
H   -4.2033281527   2.0693689219  -2.6138161033
H   -6.1612811278   0.8061822410   3.8008431133
H   -7.3833756737   2.0938605837   3.7662416592
H   -5.6576358921   2.5113979901   3.7497103700
*