! 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  -0.6890701553   1.2532218474  -1.5853782952
Cl  -5.3171416593  -0.7902649408   0.1891334522
O    0.8057618222  -2.4103444149  -0.4092602794
N    1.4411640098  -1.3373496989   0.1381317199
N    3.8262421596   2.7299690587  -0.7073910304
C    1.2300133855   0.7984762314   1.1936405822
C    0.6508767415  -0.4270376191   0.5288499988
C   -0.8253979400  -0.5278966072   0.4376615581
C    2.5724195380   1.2135775401   0.6695946396
C   -1.5406530765   0.2211113305  -0.4886042250
C   -1.5366980702  -1.3731004691   1.2830447352
C    3.7435955052   0.5375178203   0.9920440832
C    2.6835794207   2.3056230529  -0.1839572583
C   -2.9214451857   0.1546335082  -0.5777218107
C   -2.9166436918  -1.4589007828   1.2203774175
C   -3.5950673455  -0.6917079549   0.2864460989
C    4.9434500161   0.9713389211   0.4528289199
C    4.9327909310   2.0683101560  -0.3950549744
C    1.7497739666  -3.4026994883  -0.7615016048
H    0.5233927765   1.6229871913   1.0889598057
H    1.2833820413   0.5995589911   2.2692220592
H   -1.0041572356  -1.9706649460   2.0111414244
H    3.7216535784  -0.3129005830   1.6614301042
H    1.7955213984   2.8697466302  -0.4520771531
H   -3.4557339753   0.7447531744  -1.3092329642
H   -3.4518289852  -2.1191778516   1.8884856203
H    5.8737714798   0.4699669225   0.6828187279
H    5.8555342408   2.4302368625  -0.8348303618
H    2.4597976511  -3.0449461491  -1.5109287343
H    1.1777430354  -4.2271915794  -1.1838685734
H    2.3014246197  -3.7671177628   0.1085759455
*