! 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  -2.6008954828  -2.7465151131   0.5865031259
Cl  -5.1016055905  -1.2902020837   0.7026458324
F    1.7163266360  -1.4658028453  -1.5928872541
F    1.4563216120  -2.0861360944   0.4796281863
O    2.5651974043   2.0845803615   1.6064250637
N    1.2106282316   1.0906252640   0.0777887741
N    5.4778546244  -0.5200995878   0.2841751267
N    4.7085658394  -1.4973544251  -0.1706244967
C   -1.4631616686  -0.0697181440  -0.8661988448
C   -3.4202141955   1.0853586876  -0.7742783165
C   -1.7659249361   0.2393541814  -2.3568798127
C   -3.0959105336   1.0353391398  -2.2927166399
C   -2.8727633014  -0.2571687313  -0.3613429340
C   -1.1620902039   1.2574337562  -0.2043571749
C   -2.3656709502   1.9609998437  -0.1413424605
C    0.0260270954   1.8250528656   0.2352900417
C   -2.4286173122   3.2337525462   0.3856235513
C   -3.4441568123  -1.2861723496   0.2293348491
C   -0.0344692590   3.1127402415   0.7846556350
C   -1.2429494486   3.7904665448   0.8580866152
C    2.3709798481   1.2222129506   0.7665015819
C    3.4415385887   0.2644817633   0.4301127037
C    3.4735100865  -1.0478061078  -0.0969012659
C    4.7716179397   0.5485507795   0.6637136154
C    2.3867506531  -1.9690333582  -0.5050586470
C    6.9167855403  -0.6636138479   0.3038814117
H   -0.7657988088  -0.8832571831  -0.6898725517
H   -4.4526440659   1.3175881446  -0.5275330859
H   -1.8888876942  -0.6894975969  -2.9146393393
H   -0.9549048195   0.7989980156  -2.8229690184
H   -3.0151606658   2.0371024255  -2.7141329581
H   -3.8908827485   0.5153296250  -2.8279139709
H   -3.3608406757   3.7813013356   0.4385083815
H    0.8568444797   3.5974083055   1.1481878528
H   -1.2526479914   4.7829411278   1.2901482763
H    1.1953499822   0.4107390718  -0.6646535312
H    5.2409230966   1.4351119802   1.0585641464
H    2.7625318828  -2.9582918378  -0.7660439080
H    7.3049412394  -0.4002010400   1.2846521519
H    7.3750010589  -0.0243745409  -0.4481707498
H    7.1626175738  -1.6989497076   0.0904406133
*