! 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  -1.6300362610   0.7604796123  -3.1053689202
Cl  -3.2915507197   3.6172446783   1.0937005630
F    2.7012534804   0.0001310841   1.8321714926
F    3.8905549449  -1.1709283581   0.4655250582
F    4.4642065499   1.0808165529  -0.9996278874
F    5.0049460929   1.2136596174   1.1127209726
O    2.0969278592  -0.0932616861  -0.3154166891
N   -1.4266284749  -2.6741128727  -0.1150753426
N   -2.5630785110  -2.1803788239   0.3792263117
N   -1.7725181222  -3.7997528297   1.7076033250
C    0.0217537613  -0.9100663284  -1.1354501652
C   -0.8466060658  -2.1607795950  -1.3337131339
C    1.2651565654  -1.2593780874  -0.3370575931
C   -0.7755662242   0.2424448238  -0.5748901368
C   -1.5692165364   1.0428846563  -1.3938945398
C   -0.7981639007   0.5313277975   0.7863953546
C    3.1207528976  -0.0593373954   0.5411635294
C   -2.3455074307   2.0795496372  -0.9002893543
C   -1.5600551509   1.5590159675   1.3136821553
C   -0.9657487562  -3.6382501868   0.6876530547
C   -2.3302584002   2.3279432047   0.4600588805
C    3.9642672814   1.1813235145   0.2519232962
C   -2.7303006618  -2.8819752765   1.4705849009
H    0.3633994921  -0.6473048458  -2.1401099610
H   -1.6600324470  -1.9476415377  -2.0242226392
H   -0.2481663153  -2.9546370128  -1.7810291148
H    1.0308569051  -1.5907465351   0.6771126156
H    1.7894637838  -2.0740784732  -0.8414081317
H   -0.2140492084  -0.0586275275   1.4786124330
H   -2.9492731482   2.6780225561  -1.5675827503
H   -1.5500633201   1.7507684872   2.3772992436
H   -0.0627624059  -4.1929402811   0.4833969791
H    3.3866078633   2.1018481643   0.3418511535
H   -3.5805766161  -2.7331153257   2.1177034760
*