! 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  -0.0307541575  -2.3603988595  -1.9907660019
Cl  -4.4934869244  -1.4414951008   0.8276806287
O    3.4579753104  -0.6970243021   0.6876902429
N    2.1535651464  -1.0443370311   0.8596363078
N   -0.1906136037   3.6396421883  -0.7045396702
C    1.7364369780   0.4323621032  -1.0964448645
C    1.3692235661  -0.5269018983   0.0059583982
C   -0.0723179974  -0.8006893331   0.2169037201
C    1.3884396030   1.8333191054  -0.6693073650
C   -0.8162504035  -1.5847372168  -0.6589516448
C   -0.7352236329  -0.2275931843   1.2975680606
C    2.2155219199   2.5706742435   0.1701771922
C    0.1944134533   2.4237364585  -1.0678473844
C   -2.1741439525  -1.7928308590  -0.4836868402
C   -2.0919579302  -0.4164192093   1.4995832859
C   -2.7984798666  -1.1965386706   0.5997515197
C    1.8257346809   3.8430739992   0.5528151247
C    0.6141025204   4.3326971014   0.0901766777
C    4.2658424070  -1.3697976578   1.6352263607
H    2.7934487545   0.3591619188  -1.3476125809
H    1.1773692021   0.1780172710  -1.9981324295
H   -0.1789584086   0.3871351263   1.9925754190
H    3.1540351161   2.1568714161   0.5176907046
H   -0.4810424721   1.8829406152  -1.7239150316
H   -2.7298815618  -2.4115870803  -1.1741823092
H   -2.5860106576   0.0433433649   2.3439920983
H    2.4471332376   4.4479593621   1.1986837221
H    0.2818118715   5.3252419238   0.3726920360
H    5.2874531132  -1.0433977440   1.4485926332
H    4.2145261686  -2.4544595297   1.5155456477
H    3.9923416115  -1.1090690066   2.6601236264
*