! 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   0.5632434191  -1.9873800080  -1.8152577838
Cl   5.2008982900  -0.6429572834   0.4940918087
O   -1.1443522576   1.4389814620   0.3708039523
N   -2.9060475727  -0.8366906282   0.6065357178
N   -4.8567178810  -1.3654394947  -0.2722385047
C   -0.7524400282   0.1646139297  -0.0495330041
C   -1.4802351975  -0.8509300360   0.8292848593
C    0.7441973939  -0.0375472841   0.0647112144
C    1.4249976753  -0.9910285030  -0.6856928117
C    1.4897157649   0.7168979089   0.9648604695
C   -3.8134118731   0.0486869515   1.1183845939
C   -3.5847683817  -1.6578832358  -0.2256514152
C   -0.9800610287   2.4506369556  -0.6070764819
C    2.7913101159  -1.1896484914  -0.5671838250
C    2.8557297370   0.5428266891   1.1086226141
C    3.4953676575  -0.4116842105   0.3357586405
C   -5.0122333378  -0.2995416099   0.5681627706
C   -1.5144774625   3.7275856894  -0.0532679215
C   -0.8216251848   4.8571699167  -0.0077079774
H   -1.0587858367   0.0003235824  -1.0925469309
H   -1.1141154755  -1.8562320660   0.6237614457
H   -1.2759042903  -0.6455736568   1.8811915397
H    0.9947650620   1.4662064683   1.5683195544
H   -3.5382136237   0.8206865946   1.8160650654
H   -3.0953910696  -2.4563986945  -0.7631080914
H    0.0728836074   2.5686292165  -0.8923862652
H   -1.5335746904   2.1772997047  -1.5164065773
H    3.2928254727  -1.9348412314  -1.1689138742
H    3.4087513611   1.1464170302   1.8146974058
H   -5.9741681780   0.1597464138   0.7356475959
H   -2.5428279003   3.7073582969   0.2952866970
H   -1.2574388245   5.7728508509   0.3705959100
H    0.2062124293   4.9128790832  -0.3467762276
*