! 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   -1.8260086477   1.5800693785  -0.1340083080
F   -1.9561160927  -2.3934939662   2.2203831479
F   -0.6142841360  -1.8866680123   0.6267687093
F   -1.1653642042  -0.4093263747   2.0963195386
O   -1.7389728390   2.1386954770   1.1992056210
O   -2.1834850738   2.4324281770  -1.2417901578
O   -0.9391324400  -0.0913724911  -2.3682775255
O    3.2292403563   1.6412685919   1.9867891449
O    5.6694494245  -0.9080382263  -1.0297598786
N   -0.3491064394   0.8753338413  -0.4034173184
N   -4.0207947729   0.4621307832  -0.8913241048
N    1.2115637021  -0.2573740364  -1.6951037415
N    2.1986894277   0.6997328519   0.1794946675
N    3.4355354489  -0.5855682478  -1.3625973048
C   -2.9721265133   0.1739430122  -0.1604215772
C   -2.8036289667  -1.0396140248   0.5083288861
C   -3.7973675260  -1.9925509521   0.3131872928
C   -1.6285596311  -1.4219523468   1.3672224280
C   -4.8930809869  -1.6992930261  -0.4766936045
C   -0.0849622838   0.1677844368  -1.5486621165
C   -4.9735149573  -0.4434669830  -1.0482407723
C    2.3256790397  -0.0312813688  -0.9149275741
C    3.3022059502   0.9095359683   0.8913362657
C    4.5266261240  -0.3759222982  -0.6396615535
C    4.5301811373   0.3864520896   0.5232639003
C    1.9708651299   2.1871993536   2.3729429157
C    5.6882619779  -1.7142135200  -2.2049599132
H    0.4384506524   1.0819807840   0.2293337267
H   -3.7285974334  -2.9667540429   0.7758655192
H   -5.6717599072  -2.4303568746  -0.6373550530
H   -5.8213054504  -0.1564521540  -1.6567988606
H    1.3774851265  -0.8084018229  -2.5277340520
H    5.4264898957   0.5544481286   1.1021542659
H    1.5748382642   2.8656145295   1.6163914175
H    1.2417085883   1.4063269600   2.5934407957
H    2.1620489345   2.7517653479   3.2815930997
H    6.7207100589  -2.0317943624  -2.3253546495
H    5.3807045737  -1.1521264478  -3.0867444969
H    5.0525933600  -2.5936556807  -2.0999499955
*