! 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   0.5940002633   0.8543740522   2.5601330872
Cl   3.7964281366  -2.2006388219  -0.4185746356
O   -1.0705438298   2.4286794293   0.6043155665
N   -2.5008477654  -0.8718940367   0.0962610905
N   -2.2570841121  -3.0335113515  -0.2556405357
C   -1.1781001407   1.1911851727  -0.0410765649
C   -2.2979337355   0.4302917771   0.6790398722
C    0.1069485990   0.3915327181  -0.0858801543
C    0.9392899499   0.1668365020   1.0080648584
C    0.4635078800  -0.2130658476  -1.2875819767
C   -3.1154963230  -1.1424634268  -1.0953402658
C   -1.9929258983  -2.0394276202   0.5492400449
C   -0.1959161902   3.3554729939  -0.0137751988
C    2.0761085948  -0.6219832533   0.9146287026
C    1.5839958427  -1.0163143545  -1.4115685330
C    2.3845498477  -1.2105892418  -0.2996959591
C   -2.9581335605  -2.4836688888  -1.2905617156
C   -0.6632380370   3.7665586359  -1.3745964667
C    0.0510499296   3.6034240909  -2.4806958908
H   -1.4943138059   1.3315157828  -1.0843508222
H   -2.0683282425   0.3054232349   1.7365807291
H   -3.2226294751   1.0039539842   0.6106755686
H   -0.1595995634  -0.0523139911  -2.1587972833
H   -3.6111137728  -0.3822822876  -1.6766845281
H   -1.4485462631  -2.1024279946   1.4797415780
H   -0.1778851975   4.2202497059   0.6534033605
H    0.8291307572   2.9683793696  -0.0658667820
H    2.7063431759  -0.7769393353   1.7793950824
H    1.8257748777  -1.4760597864  -2.3596921405
H   -3.3208440546  -3.0782297448  -2.1150262802
H   -1.6470642649   4.2246170673  -1.4287741559
H   -0.3146286316   3.9317409397  -3.4455647470
H    1.0336926364   3.1452751120  -2.4648613953
*