! 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  -1.5257460293   0.8091995666  -2.9280125065
Cl  -3.2174003926   3.3092886798   1.4819802099
F    3.7919942503  -1.1795305229   0.9514063046
F    4.0585668502  -0.7297875908  -1.1436351045
F    3.4801199275   1.4794134486   1.5187016503
F    3.6794754771   1.9652746716  -0.6011293730
O    2.1220346017  -0.2042735054  -0.1697385320
N   -1.5550767820  -2.6408924050  -0.1282105767
N   -0.9803308548  -3.2440566480   0.9143377649
N   -3.1337170995  -2.8178764223   1.3493216476
C    0.0956214241  -1.0363853263  -1.0776143082
C   -0.8040039768  -2.2637274658  -1.2994855955
C    1.3608489712  -1.4100583742  -0.3225768703
C   -0.6928852150   0.0822579129  -0.4417007064
C   -1.4774560044   0.9498880654  -1.1991395109
C   -0.7307839180   0.2508928066   0.9404249423
C    3.4395339984  -0.2918576338  -0.0132597049
C   -2.2544366462   1.9449656960  -0.6259093996
C   -1.4980089140   1.2306629843   1.5451525065
C   -2.8357134898  -2.3842069829   0.1486370529
C   -2.2544261221   2.0750332331   0.7510602314
C    4.0247141840   1.0724678943   0.3517623238
C   -1.9640543235  -3.3314424771   1.7747051895
H    0.4145371766  -0.7271806339  -2.0759378137
H   -1.5228671790  -2.0484687847  -2.0880726083
H   -0.2139842695  -3.1188796662  -1.6298961085
H    1.1591855328  -1.8429238622   0.6574407399
H    1.9046384811  -2.1540166139  -0.9089650089
H   -0.1506918633  -0.3989937345   1.5814354586
H   -2.8476633301   2.6027602885  -1.2457929842
H   -1.5006832149   1.3298637119   2.6216570480
H   -3.5013410559  -1.8962718686  -0.5462399785
H    5.1112262958   1.0402273570   0.4465643131
H   -1.8351659364  -3.7881802224   2.7436091695
*