! 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  -0.8349502132   0.6107581889  -2.9206668331
Cl  -3.2216669467   3.4568183928   0.9216009433
F    3.6233419727  -0.7209711590  -0.7245599095
F    2.1780388710   0.8633666816  -0.9513890354
F    4.5002561010   1.7625875947   0.0284509718
F    4.4417805782   0.3169561311   1.6659191359
O    1.9851499222  -0.5352389015   0.7870862388
N   -1.6720251371  -2.8369171853   0.0526801116
N   -1.2713292428  -3.4503161777   1.1694044846
N   -3.4580773577  -2.9893362445   1.2748696975
C    0.1408150305  -1.2833343765  -0.6966287175
C   -0.7501333678  -2.4983126136  -1.0039034672
C    1.2230037175  -1.6530930009   0.3172302268
C   -0.6875567647  -0.0908281414  -0.2970929523
C   -1.1756794171   0.8181473090  -1.2326880681
C   -1.0360012264   0.1331273480   1.0330431273
C    2.8263365434   0.1156441671  -0.0201019204
C   -1.9528482445   1.9097150093  -0.8757791940
C   -1.8139330492   1.2089498139   1.4236159833
C   -2.9753998906  -2.5620668833   0.1325983843
C   -2.2611900579   2.0955697994   0.4595007462
C    3.6748469493   1.0579327688   0.8338726290
C   -2.3748339723  -3.5206043421   1.8710795906
H    0.6357728705  -1.0760732019  -1.6468106164
H   -1.3422042436  -2.2918776993  -1.8940602146
H   -0.1365831313  -3.3723522188  -1.2241027744
H    0.8042141960  -2.0821284786   1.2243978868
H    1.8778633308  -2.4116790060  -0.1164412780
H   -0.6944959852  -0.5457026464   1.8034456400
H   -2.3062441125   2.6009064957  -1.6280891674
H   -2.0589188118   1.3498309555   2.4668814197
H   -3.5217147546  -2.0684995492  -0.6561170287
H    3.0622369536   1.7448565864   1.4187012328
H   -2.3980630269  -3.9789173479   2.8478434070
*