! 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   0.8055903080  -1.1934187771  -2.1128248016
Cl   5.2474276624  -0.7689156255   0.8390876475
O   -1.0629983047   1.4329463248   0.8775158701
N   -2.8407751665  -0.7930589264   0.4080596340
N   -4.7451223916  -0.9108678848  -0.6947336246
C   -0.6458148813   0.3109477816   0.1473394629
C   -1.4262284634  -0.8971743686   0.6646853670
C    0.8366783191   0.0446046782   0.3041726610
C    1.5747622049  -0.6308035548  -0.6632429339
C    1.5071447116   0.4407128691   1.4576022285
C   -3.7812401572  -0.1912520717   1.1960662356
C   -3.4714550387  -1.2001283471  -0.7171135324
C   -0.7003061265   2.6688157931   0.3007225526
C    2.9282992589  -0.8885235811  -0.5146321147
C    2.8578818702   0.1967409979   1.6377462619
C    3.5584841703  -0.4638840337   0.6422154775
C   -4.9515713402  -0.2799125778   0.4995411171
C   -1.5877267773   3.1214147513  -0.8163200481
C   -2.7591559251   2.6017250010  -1.1583485738
H   -0.8762429038   0.4432701748  -0.9174399936
H   -1.0558102993  -1.8054403632   0.1899508230
H   -1.2650889652  -1.0125334946   1.7371983295
H    0.9622985382   0.9604403009   2.2349884495
H   -3.5462582332   0.2297157612   2.1592404682
H   -2.9484797719  -1.7103038888  -1.5130624746
H   -0.7284962813   3.4106673440   1.1049466944
H    0.3395333991   2.6563545582  -0.0514148148
H    3.4769873116  -1.4094561409  -1.2873426087
H    3.3540650001   0.5193597067   2.5427883009
H   -5.9276238139   0.0727611594   0.7962160289
H   -1.2009774295   3.9765373924  -1.3639999547
H   -3.3265805907   3.0163971792  -1.9819004156
H   -3.2060396920   1.7625819469  -0.6393226838
*