! 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   -1.3741638525  -2.0106263027  -1.3196008770
F    1.9036176739   5.7246541267   0.5743967752
F    3.8270407954   6.1835862887  -0.3006932685
F    3.9676856222  -2.5393244463   0.8311678730
F    1.9229569885  -2.0351473146   1.3131074283
O   -0.7507735330  -3.0257779053  -0.4930342238
O   -1.2953592775  -2.1031564163  -2.7608210449
O   -1.7826077271  -1.5383140353   1.7920079869
O   -2.7701431519  -3.4894872488   2.2576088481
O   -1.9159636843   0.7893624355  -2.0891545005
O    3.4512092566   4.1488660417   0.3055470307
O    3.4537532797  -0.4498466171   0.9667190390
N   -0.6369973207  -0.5928115891  -0.8328923108
N   -0.1176737314   1.6692884532  -1.0547637948
N    1.6573352462   2.8990408996  -0.3588974539
N    1.6481411589   0.5704168252  -0.0064314507
C   -3.0864139615  -1.8768441272  -0.8749279984
C   -3.5284695689  -2.2132819882   0.4058779828
C   -3.9875954584  -1.5935757621  -1.8904716940
C   -4.8954928835  -2.2715650894   0.6422300735
C   -5.3478783363  -1.6240489704  -1.6262382894
C   -5.8005447330  -1.9686194233  -0.3639535385
C   -2.6413515291  -2.5112834716   1.5694071463
C   -0.9498708244   0.6189674234  -1.3811969865
C    1.1101892999   1.6969517808  -0.4471567012
C    2.8473273697   2.9592994411   0.1985336208
C    2.8513213851   0.6651787221   0.5335401813
C    3.5336645269   1.8554390598   0.6788721248
C   -0.9027381554  -1.6875203353   2.9091114461
C    2.8583893503   5.2622721522  -0.2514755256
C    2.9828147635  -1.6785893370   0.5618115278
H   -3.6436237955  -1.3595093469  -2.8870075341
H    0.1786937351  -0.6787028532  -0.2259992516
H   -5.2569843874  -2.5437891959   1.6248925190
H   -6.0489988689  -1.3939326810  -2.4165327691
H   -6.8615240985  -2.0102940466  -0.1582013882
H   -0.4374997280   2.5646115184  -1.4027262793
H    4.5196478233   1.9178938102   1.1147099358
H   -0.3125703235  -2.5993675245   2.8366806661
H   -1.4621293369  -1.6944868150   3.8444281765
H   -0.2498738887  -0.8201108284   2.8926734534
H    2.4425629475   5.0971342289  -1.2444167578
H    2.7190041079  -1.7247147404  -0.4953657936
*