! 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   -1.3359635694   1.1117854651  -0.0948200701
F   -3.8151824629   0.4436771843   2.2959041586
F   -4.4100960984   1.5424294761   0.5286648285
F   -5.6031766370  -0.0821654221   1.2469320715
O   -1.7427934273   1.8098074912   1.1011560205
O   -1.2964758969   1.8041810811  -1.3673637279
O   -0.3120339948  -0.7561142348   1.9052095242
O    3.6197516722   1.5626407294  -2.3943096389
O    6.3041459886  -1.0159428582   0.3794727468
N    0.1932162346   0.5121977460   0.0987217746
N   -1.6790565097  -1.2243147626  -1.1181439852
N    1.8322495679  -0.7145377345   1.1892842527
N    2.7054701245   0.4395365706  -0.6295454011
N    4.0637584952  -0.8692320120   0.7847245078
C   -2.3104249663  -0.3942593480  -0.3214669635
C   -3.5747291050  -0.6321582019   0.2112075165
C   -4.1568929238  -1.8523325821  -0.1170348768
C   -4.3428808293   0.3289275129   1.0795542400
C   -3.4866467169  -2.7412782834  -0.9354005788
C    0.5121989055  -0.3397230215   1.1205169291
C   -2.2443043145  -2.3803735289  -1.4249910206
C    2.9082701317  -0.3575855456   0.4055760273
C    3.7710590342   0.7647993457  -1.3545775311
C    5.1176955444  -0.5394113918   0.0520582538
C    5.0390988040   0.2950881510  -1.0573166497
C    2.3216368915   2.0673656576  -2.6972634669
C    6.4144492509  -1.8652262472   1.5183202998
H    0.9281626052   0.7618553285  -0.5777144886
H   -5.1326989968  -2.1195007534   0.2612047274
H   -3.9258914357  -3.6934224537  -1.1943750993
H   -1.6878822599  -3.0362000842  -2.0819275813
H    2.0479044279  -1.3449642072   1.9505308920
H    5.9058868752   0.5603513794  -1.6445947792
H    1.9241236541   2.6744215075  -1.8831619327
H    2.4494943331   2.6980602307  -3.5727832141
H    1.6224439116   1.2667424380  -2.9415182325
H    7.4669012097  -2.1278513770   1.5866671190
H    5.8251118255  -2.7747133190   1.4031633782
H    6.1127308151  -1.3547939636   2.4328750539
*