! 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  -0.6680973932  -0.3790747832   2.3543228965
Cl   1.7607889495  -4.1131304169  -0.5689512187
O   -1.8107653470   1.4911211202   0.3146021549
O   -0.5985527870   2.0316548165  -1.4637480817
N    1.7478642125   2.1908949026   0.5240400638
N    2.3728895324   2.5007807111  -0.6117958297
N    3.7798383426   1.4906142419   0.8075043514
C   -0.5091327443   1.4838606113  -0.1837590680
C   -2.7092884229   1.3003528958  -0.7772017652
C   -1.8425621508   1.6201625836  -2.0066227150
C   -3.3014407659  -0.0965709421  -0.8139476241
C    0.3380308284   2.4126475276   0.6967517240
C    0.0723042482   0.0688286643  -0.2416234657
C   -4.1457156446  -0.4490445339   0.4023938538
C    0.0148803335  -0.8256114397   0.8251911203
C    0.7146278314  -0.3654189878  -1.3971567787
C   -4.7171135107  -1.8554034947   0.3165543312
C    0.5283718826  -2.1103207713   0.7355889659
C    1.2393801930  -1.6411016607  -1.5159066222
C    2.5935937925   1.5787499123   1.3559664775
C    1.1310344121  -2.5089896610  -0.4445945980
C    3.5876356247   2.0662597323  -0.3950165672
H   -3.5115648681   2.0339483437  -0.6574732895
H   -1.7224268979   0.7442705664  -2.6540309073
H   -2.2427109846   2.4364180669  -2.6079788492
H   -2.5016558995  -0.8340695884  -0.9417096278
H   -3.9190781460  -0.1610592508  -1.7167351001
H    0.1026647636   2.2476188749   1.7457944790
H    0.0992153123   3.4499982313   0.4627125122
H   -4.9620152376   0.2730036247   0.5026136900
H   -3.5427770381  -0.3588573404   1.3084401208
H    0.8111402317   0.3063903488  -2.2381740878
H   -5.3266185755  -2.0920652514   1.1899451177
H   -5.3475927013  -1.9799106886  -0.5661753444
H   -3.9235754071  -2.6032530085   0.2600391452
H    0.4610503054  -2.7854036050   1.5774767092
H    1.7244170205  -1.9453720158  -2.4330248272
H    2.3060594415   1.2318071516   2.3361977480
H    4.3687636367   2.1708748751  -1.1316927136
*