! 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    0.6126139617  -0.3461747319   1.1695690547
F    5.7960489940  -2.6706561010   1.0729646922
F    5.1421142184  -0.6555863040   0.7110605799
F    5.7000730499  -1.9160489079  -0.9409107726
O    0.7855110620  -1.7820556319   1.1920713199
O    0.5632320577   0.3764686020   2.4263860635
O   -0.4491952891  -1.0001383353  -1.5134702376
O   -6.8330492888   1.2346416646  -1.0856925049
N   -0.8599904627   0.0279651242   0.4654077451
N   -2.4956812400  -0.1146339388  -1.1847677438
N   -3.3484648916   0.9031600977   0.7257286236
N   -4.6681741069   0.5490108267  -1.1873741585
N   -5.5966152293   1.5627182866   0.7282111171
C    2.6393763584  -0.2351517464  -0.7847063590
C    2.7890151302  -1.7287332493  -0.9224591882
C    1.7872572988   0.4417645814   0.0955046024
C    3.6491746151  -2.4092391435   0.1462054803
C    3.4449739042   0.5629961661  -1.5992026831
C    1.7679239556   1.8342483412   0.1752206756
C    5.0633653609  -1.9107627573   0.2424714771
C    3.4245645318   1.9442677410  -1.5400328737
C    2.5882876683   2.5881490402  -0.6403866719
C   -1.2076178275  -0.4077850852  -0.7785556218
C   -3.5308261158   0.4694020168  -0.5111680547
C   -4.4208105051   1.4406841485   1.3111730361
C   -5.6596730116   1.1028369511  -0.5186200148
C   -4.2757352460   1.8941280308   2.7186726120
C   -7.0093266798   0.7751232592  -2.4252406765
H    1.8206558555  -2.2209964927  -0.9215718686
H    3.2188212878  -1.9296972930  -1.9043137417
H    3.1964789675  -2.3194938689   1.1332514283
H    3.6903398879  -3.4758857078  -0.0838278497
H    4.1063722834   0.0780020925  -2.3058600105
H    1.1066088681   2.3397124199   0.8665585518
H    4.0656669550   2.5178678841  -2.1963527344
H    2.5684878090   3.6672768997  -0.5755972060
H   -1.5678079056   0.5129006165   1.0344510797
H   -2.7140012174  -0.4264327769  -2.1228223193
H   -5.0267424091   2.6388030349   2.9703987068
H   -4.4131830446   1.0410894739   3.3874789279
H   -3.2812365762   2.2953419306   2.9040970312
H   -6.8231768399  -0.2952152039  -2.5095479340
H   -6.3627430614   1.3107048902  -3.1199171318
H   -8.0478551122   0.9799990166  -2.6698941074
*