! 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    0.2741095606  -1.0251628591   0.5787102238
F    5.6394681878  -1.6126098259  -1.5174141851
F    5.4918733357  -3.2227559535  -0.0963244501
F    4.9576110385  -1.2234357223   0.4851079838
O    0.4739225487  -2.2604733898  -0.1456088182
O    0.0471505255  -1.0754165182   2.0116480672
O   -0.4699375922  -0.1121373469  -2.1560374019
O   -4.5463750781   0.8594005748   2.5315094360
N   -1.1035222441  -0.2623611041   0.0173206817
N   -2.4825204067   0.7268500393  -1.5691742625
N   -4.5228781041   1.7136613883  -1.3296561937
N   -3.4626701496   0.7593558468   0.5363493129
N   -5.5653862078   1.7754524486   0.7780677299
C    2.5417316456   0.0061934327  -0.7399513184
C    2.7528440049  -1.2012867043  -1.6167186190
C    1.5527314037   0.1599746453   0.2375937624
C    3.4672275421  -2.3811066030  -0.9516121876
C    3.4220500042   1.0779212418  -0.9003003202
C    1.4655516855   1.3099404529   1.0224708154
C    4.8812348300  -2.1059185670  -0.5234140524
C    3.3377732600   2.2286031482  -0.1384840534
C    2.3577985575   2.3464680581   0.8362296112
C   -1.2871958606   0.0906564062  -1.2866770634
C   -3.5206735338   1.0745660267  -0.7509573011
C   -5.5246663326   2.0441715513  -0.5193601928
C   -4.5109186348   1.1316206874   1.2510474920
C   -6.6917677236   2.7401157208  -1.1219581755
C   -3.4501568034   0.1598546677   3.1221063211
H    1.8073447580  -1.5693396765  -2.0046810022
H    3.3233615721  -0.8835373887  -2.4904822614
H    2.9165772289  -2.7364417711  -0.0807496453
H    3.4927186523  -3.2082698528  -1.6641556638
H    4.1942345341   1.0041701310  -1.6553962374
H    0.6969969570   1.4093930969   1.7774270671
H    4.0401082040   3.0344657787  -0.3056369672
H    2.2834707173   3.2379203047   1.4436410161
H   -1.8487400120  -0.0429178854   0.6907015984
H   -2.5948010427   0.9922025264  -2.5397442358
H   -7.2525326304   3.2912217452  -0.3710147067
H   -6.3797577798   3.4134225961  -1.9180300451
H   -7.3630971474   2.0009710354  -1.5655882470
H   -3.7084306860   0.0424050120   4.1707969197
H   -2.5244053185   0.7316263900   3.0488112426
H   -3.3177278193  -0.8262821221   2.6766717504
*