! 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   0.6934215710  -1.3080883016  -2.2950929530
Cl   4.9398346674   0.8740067037   0.0723623559
O   -1.3619164905  -1.5310152411  -0.1584319000
O   -1.4930017673   0.1174593493   1.3723835721
N   -1.2804457148   2.0502425116  -0.8550119890
N   -0.2947444487   2.5235039756  -1.6209985741
N   -0.9645355467   4.0799153829  -0.1591373150
C   -1.0062019310  -0.2035447988   0.0984187267
C   -1.9375208520  -2.1029395767   1.0152738640
C   -2.4357608253  -0.8700512811   1.7465489363
C   -3.0177654393  -3.0903827406   0.6266340113
C   -1.7056211077   0.6789212819  -0.9535886994
C    0.5012862629   0.0115608043   0.0926668760
C   -3.7138260006  -3.7255653397   1.8290743245
C    1.3228214215  -0.4276228560  -0.9430668393
C    1.1039942426   0.7324277363   1.1191385237
C   -2.7991654968  -4.5651309258   2.7109931895
C    2.6858405682  -0.1747060064  -0.9550796374
C    2.4609626531   1.0063874761   1.1294528609
C   -1.6644497887   2.9856978954   0.0184746461
C    3.2426589489   0.5459907100   0.0862654810
C   -0.1416517323   3.7420074490  -1.1722471983
H   -1.1501278597  -2.5978101342   1.5967518663
H   -3.4494020545  -0.5934085259   1.4291763456
H   -2.4265663041  -0.9640158708   2.8319870877
H   -2.5813007947  -3.8773162299   0.0049981854
H   -3.7582970103  -2.5730529847   0.0092167936
H   -2.7851332216   0.6241266498  -0.8043042502
H   -1.4943420706   0.3353874030  -1.9633067750
H   -4.5226066615  -4.3565986039   1.4537389552
H   -4.2005708778  -2.9532308927   2.4329139720
H    0.5056573429   1.0990135316   1.9401073407
H   -3.3689337497  -5.0699703265   3.4921300813
H   -2.2861990100  -5.3344216778   2.1301580799
H   -2.0351621967  -3.9671655770   3.2104178258
H    3.2999152439  -0.5319196655  -1.7700070853
H    2.8937689546   1.5715649456   1.9430783867
H   -2.4487867295   2.8316597020   0.7424823747
H    0.5882170708   4.4156196547  -1.5939886971
*