! 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  -0.5181728109  -1.4072864169  -2.6722904572
Cl  -4.4416301416   1.0352997738   0.0457108946
O    0.5599823290  -2.9079353270   0.9449200019
N    1.5533656523  -2.1869461675   0.3574475280
N    3.5113561619   2.0973162615   1.8500823018
C    2.1691470841  -0.2043671491  -0.8003983460
C    1.1473792737  -1.1022258348  -0.1601564509
C   -0.2542128550  -0.6233665011  -0.1025664162
C    2.3663592498   1.0371120264   0.0269520916
C   -1.0898889743  -0.6795430596  -1.2108716725
C   -0.7538404065  -0.0536441544   1.0642540741
C    1.6068943947   2.1842576469  -0.1651107010
C    3.3007645991   1.0558191708   1.0575406330
C   -2.3803279434  -0.1752432437  -1.1824619097
C   -2.0380893611   0.4582781411   1.1235590158
C   -2.8380704301   0.3936193268  -0.0061640722
C    1.8130544430   3.2778683854   0.6607655804
C    2.7763198643   3.1853786037   1.6523537353
C    1.1003301618  -4.0582132097   1.5670110147
H    3.1078927438  -0.7509779184  -0.8999374541
H    1.8445239244   0.0680176546  -1.8072580006
H   -0.1240898062   0.0029620126   1.9421167697
H    0.8674722746   2.2286981796  -0.9557296119
H    3.9133447613   0.1783399741   1.2426142053
H   -3.0127319712  -0.2300606627  -2.0575552107
H   -2.4048477832   0.9026828825   2.0380807251
H    1.2415100763   4.1875887933   0.5373728615
H    2.9631988654   4.0244254265   2.3131428175
H    1.8173777834  -3.7987770544   2.3495063339
H    1.5820437898  -4.7235352672   0.8461908063
H    0.2593826837  -4.5800728610   2.0205245469
*