! 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  -0.7484197742  -1.1993865042  -2.7129464573
Cl  -4.3855291178   1.0175512416   0.5423797146
O    0.6434115938  -2.9913678635   0.6432510637
N    1.5866264443  -2.2223399584   0.0319650847
N    1.8233748171   3.2363195694   0.6306301287
C    2.1073469499  -0.1452999912  -1.0026627178
C    1.1437814972  -1.0972364525  -0.3513979017
C   -0.2422252021  -0.6221871164  -0.1248885217
C    2.3865361068   1.0185324518  -0.0902255110
C   -1.1772968614  -0.5911367149  -1.1516811946
C   -0.6255736005  -0.1434650785   1.1238831372
C    3.3564316105   0.9416284530   0.9019221589
C    1.6498585813   2.1950657208  -0.1727061429
C   -2.4555829657  -0.0907097197  -0.9634314902
C   -1.8950561430   0.3622731901   1.3425010378
C   -2.7978262718   0.3846635805   0.2911569434
C    3.5516850636   2.0245167269   1.7428116561
C    2.7578922036   3.1479973054   1.5684183403
C    1.2213135950  -4.2035369693   1.0878860026
H    3.0307070316  -0.6759199478  -1.2375592771
H    1.6904015841   0.2139425829  -1.9464629391
H    0.0840346376  -0.1572049766   1.9406124486
H    3.9545082267   0.0448168071   1.0130802634
H    0.8818087141   2.3001895475  -0.9333534917
H   -3.1667695166  -0.0754795370  -1.7775349298
H   -2.1722595508   0.7339711305   2.3189922039
H    4.3041252042   2.0018221991   2.5193459721
H    2.8842273681   4.0124374467   2.2105677971
H    2.0233475764  -4.0315809686   1.8096715538
H    1.6083427140  -4.8000344542   0.2582353101
H    0.4224127190  -4.7586132284   1.5769078223
*