! 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  -1.3491213635   0.9026952808  -3.0817103929
Cl  -2.9051004991   3.5086593552   1.3153304245
F    2.5328807432  -0.1614653857   1.5661787858
F    3.8739480125  -1.3151919562   0.3309596607
F    4.7684053064   1.1865348708   0.8664605879
F    2.9650221430   2.0581213528  -0.0056135315
O    2.0441249079  -0.4336740596  -0.5965822581
N   -1.6680857854  -2.8123384625  -0.0886016757
N   -0.9674251255  -3.4175119047   0.8731565033
N   -3.0851164760  -3.1102447672   1.5264823098
C   -0.1037671014  -1.2105595009  -1.1976769962
C   -1.0542591052  -2.4073334870  -1.3292073089
C    1.1915248275  -1.5829806499  -0.4927451553
C   -0.7935510014  -0.0192764584  -0.5807705382
C   -1.3858845031   0.9810689693  -1.3486144098
C   -0.9020229101   0.1098357329   0.8022993470
C    3.0132056465  -0.2644720668   0.3014464431
C   -2.0328121276   2.0696169559  -0.7830224736
C   -1.5496717595   1.1765623150   1.3995545329
C   -2.9264820650  -2.6300718939   0.3162371070
C   -2.1051012222   2.1562281299   0.5953095739
C    3.7987132289   0.9967667637  -0.0561756428
C   -1.8576476599  -3.5784576566   1.8202873144
H    0.1720982383  -0.9703712317  -2.2267368497
H   -1.8574557587  -2.1552574143  -2.0202750348
H   -0.5248220623  -3.2622903814  -1.7509767608
H    1.0377741694  -1.8748955358   0.5457736600
H    1.6560508410  -2.4262886240  -1.0085464880
H   -0.4724283080  -0.6415899297   1.4512253044
H   -2.4698726762   2.8342492578  -1.4097598491
H   -1.6128389695   1.2387612242   2.4768076689
H   -3.6788298213  -2.1588907093  -0.2967838975
H    4.2473790552   0.9317431564  -1.0482624171
H   -1.6115847635  -4.0535008616   2.7572130089
*