! 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  -0.2774533195   2.7906167859   2.5574724511
Cl   1.3057597047   4.9980347026   0.9668238162
F    5.2663482799  -3.0682360876   0.1217843853
F   -4.1535136238  -3.4119757814  -0.1785800430
F   -3.3336242136  -3.0527273813  -2.1694011185
O   -1.1422073905  -2.9470670043  -0.0080095859
N    0.1490041040  -1.1646054742  -0.5855764481
N   -3.5475114023   0.8330330807  -0.2624183544
N   -4.3204215062  -0.1689053119  -0.6550772167
C    2.4513412058  -0.8077456232   0.0309968875
C    1.4340442250  -1.6861593766  -0.3731806962
C   -2.2026366413  -0.8831595868  -0.4112157740
C    2.1777492056   0.6253152191   0.2809379101
C   -3.5319503473  -1.2184101301  -0.7400669977
C   -1.0356633346  -1.7755529198  -0.3173759250
C   -2.2719000059   0.4614162649  -0.1073655420
C    3.7503493869  -1.2831264402   0.1773908188
C    1.7349968656  -3.0267070021  -0.5996859525
C    1.2173759461   1.0120770656   1.2126368016
C    2.8767553094   1.6104343682  -0.4107684653
C    4.0128725086  -2.6186527121  -0.0410643425
C    3.0244945789  -3.5009864450  -0.4223859171
C   -4.1100421496  -2.5087987017  -1.1940967698
C   -4.1200854058   2.1343883250  -0.0056401563
C    0.9454704683   2.3531596013   1.4253943920
C    2.6143438919   2.9517475971  -0.1905202206
C    1.6419436185   3.3299571150   0.7211662393
H    0.1075963576  -0.2121886052  -0.9150230451
H   -1.5181468755   1.1611803685   0.2174370655
H    4.5446258437  -0.6161112526   0.4878228357
H    0.9717168284  -3.7100248813  -0.9367862503
H    0.6828546920   0.2666139906   1.7873160551
H    3.6234360849   1.3334672824  -1.1433801411
H   -5.1214355503  -2.3788817408  -1.5825046500
H    3.2523248099  -4.5439947729  -0.5978838764
H   -4.7680154188   2.0957455105   0.8682453629
H   -3.3193188623   2.8453390753   0.1772854322
H   -4.6951963032   2.4591413718  -0.8679314224
H    3.1596548769   3.7067891982  -0.7400413363
*