! 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
Cl  -1.4239786002  -0.9235767153  -2.2743551688
F    5.7595065167   0.3335480459   0.9413798308
F    4.0845396013  -0.9285194365   1.3930491491
F    5.2410382806  -1.2650726273  -0.3910276490
F   -4.3534835508   2.6319375362   1.0330472223
F   -5.6108657980   1.6769873932  -0.4236026712
F   -5.7983780562   1.1688234229   1.6600642256
O    2.3170282842  -2.0848559004  -0.7785772931
N    0.9447083157  -1.0187993565   0.6681978157
N   -2.6298227711  -1.3893864756   1.4641179661
C   -0.9221723445  -2.6242400317   0.3223365812
C    0.2843067135  -2.2060502629   1.1630744795
C   -1.9736353675  -1.5587112157   0.3199879972
C    2.4929062023   0.2775261213  -0.6219952176
C    1.9193355857  -1.0605188837  -0.2493534258
C    3.8231908678   0.6184140724  -0.3649522771
C   -2.2579896112  -0.7390101208  -0.7725218061
C   -3.8948615389   0.3892905322   0.5289957994
C   -3.2260844610   0.2431667816  -0.6743952038
C    1.6867176790   1.1696613809  -1.3163092591
C    4.3252856138   1.8330625707  -0.8129916194
C   -3.5555130846  -0.4550392483   1.5764765548
C    4.7254349550  -0.3116599853   0.3919644149
C    2.1947524733   2.3769450977  -1.7724982065
C    3.5153290292   2.7071279161  -1.5224814411
C   -4.9193804946   1.4641772332   0.6998343473
H   -0.6006813874  -2.8854342691  -0.6838463012
H   -1.3462638951  -3.5257187072   0.7685965678
H   -0.0291950592  -2.0084161762   2.1872999273
H    0.9972518501  -3.0292068062   1.1978098023
H    0.7121912701  -0.1328560294   1.0872348254
H   -3.4457015426   0.8743830498  -1.5253128136
H    0.6561639137   0.9133726700  -1.5231602289
H    5.3497682445   2.1152744561  -0.6136069511
H   -4.0441883182  -0.3836252236   2.5407238236
H    1.5565124466   3.0548684001  -2.3229537634
H    3.9202747279   3.6470456152  -1.8720553691
*