! 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   -1.8461778218   1.2283119951   0.2520962270
F    0.3693148518  -4.3628280728  -0.9909181672
F    0.8245254930  -2.6127115218  -2.1614239507
F    1.3230564974  -2.6640436213  -0.0708824724
O   -1.8946481588   2.0184128882  -0.9598245937
O   -2.7242072788   1.5161316888   1.3631554259
O   -4.6387393381   0.6301480545  -0.5783803926
O   -5.4124407679  -0.8646596838   0.9029245217
O   -0.4679417185  -0.1287313438   2.4845830185
O    2.8332843188   3.0367143642  -1.8066351005
O    6.0136231873   0.7575036654   0.6912943890
N   -0.9162289426  -1.1341433714  -0.4274085815
N   -0.2662993422   1.3054640134   0.7308023213
N    1.6055861556   0.4410044456   1.7969452412
N    2.1968682442   1.7531838667  -0.0286231323
N    3.8070658855   0.6022305505   1.2510283894
C   -2.0372331459  -0.5238593530  -0.1483260082
C   -3.2715795382  -1.1602945345  -0.0771236092
C   -0.9391138988  -2.4394111798  -0.6336098284
C   -3.2770496956  -2.5338584663  -0.2622790508
C   -2.0928567432  -3.1953879299  -0.5460767754
C   -4.5604274912  -0.4530746856   0.1624961733
C    0.4051456250  -3.0310930602  -0.9647191340
C    0.2351326603   0.4974186308   1.7244739794
C    2.5715181118   0.9608045085   0.9611879788
C    3.1587128708   2.2386489973  -0.8078565381
C    4.7565251649   1.0877674152   0.4635453282
C    4.4944714336   1.9354079454  -0.6072706704
C   -5.7787257564   1.4765704640  -0.3994184455
C    1.4601614350   3.3557965333  -2.0182888165
C    6.3089006750  -0.1359448671   1.7614837475
H   -4.2040998935  -3.0874009878  -0.1984379225
H   -2.0914797696  -4.2654211911  -0.6917509863
H    1.9588219326  -0.1515407510   2.5372543493
H    5.2772921309   2.3271783465  -1.2401300074
H   -6.6998772596   0.9536899045  -0.6553833876
H   -5.8376400996   1.8448926220   0.6245887042
H   -5.6364642743   2.3122544285  -1.0781744982
H    1.4429036751   4.0238585846  -2.8753013042
H    1.0283551369   3.8730689074  -1.1606324757
H    0.8707582676   2.4687928014  -2.2543879922
H    5.8169630093  -1.0998887851   1.6303470232
H    7.3861692815  -0.2779409228   1.7346991777
H    6.0265680467   0.2831843785   2.7274189229
H    0.4208423831   1.7139876572   0.0777708562
*