! 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  -1.2025265171   0.5462305760  -2.8961351357
Cl  -3.4849859997   3.2565711454   1.1059722549
F    4.1955063716  -0.9866949838   0.1354278832
F    3.1193808373   0.0328291873  -1.4310179497
F    4.9741765991   1.5822615531  -0.2131333107
F    4.0233710094   1.2656396560   1.7268786190
O    2.1201343209  -0.2764655837   0.5483989390
N   -1.6149461366  -2.6295668790  -0.0498952296
N   -1.3067489891  -3.0687024500   1.1714131452
N   -3.5016357946  -2.6572237270   1.0200249322
C    0.2358617457  -1.1165140777  -0.7520331693
C   -0.6058839956  -2.3731382520  -1.0466408748
C    1.3734315259  -1.4529542243   0.2046524313
C   -0.6494653396   0.0129572907  -0.2869926081
C   -1.3631902822   0.8017591231  -1.1871731418
C   -0.8579240996   0.2679907818   1.0669837980
C    3.2669463780  -0.0217578961  -0.0804033304
C   -2.2332080922   1.8010579780  -0.7783171883
C   -1.7213508360   1.2544374340   1.5094066560
C   -2.9234919063  -2.3779551944  -0.1231193874
C   -2.4028128495   2.0171932531   0.5771049616
C    3.7959918731   1.3303753721   0.3972915629
C   -2.4684092256  -3.0725913325   1.7767071702
H    0.6872590346  -0.8452081079  -1.7080597207
H   -1.1197334403  -2.2562101151  -1.9986720514
H    0.0332176278  -3.2521375326  -1.1363916864
H    1.0163214907  -1.8667712662   1.1463838179
H    2.0097226861  -2.2139575255  -0.2512789884
H   -0.3426858941  -0.3174152590   1.8159511545
H   -2.7689582582   2.3940420199  -1.5064191404
H   -1.8568343760   1.4197732835   2.5691812262
H   -3.4023891125  -2.0087947871  -1.0170375533
H    3.0949059840   2.1386971713   0.1855894403
H   -2.5758782256  -3.3911293467   2.8020046327
*