! 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  -1.0059899724  -1.0192550501  -2.1249343635
Cl  -5.4487248047  -0.0220341775   0.6760441751
O    3.4147607067   0.2057664592  -1.5531088603
N    1.2256135636  -0.8346015992   0.1158899973
N    0.4374499690  -1.1264511091   1.1609551601
N    1.3645441554  -2.9906481582   0.3417160669
C    3.6444545474   1.1947393659   0.6307704583
C    2.7470059267   1.0192175848  -0.6156977231
C    2.9154463221   2.0803948835   1.6411186929
C    4.9246785322   1.9070719087   0.1814336268
C    4.0284617950  -0.1250148601   1.3028134764
C    1.3553626834   0.4966617396  -0.3400788617
C    0.2824160831   1.2742900011  -0.4743526396
C   -1.1218061275   0.9167738872  -0.2245334586
C    1.7720315321  -1.9663808205  -0.3617539912
C   -1.7990125802  -0.0989451490  -0.8952420632
C   -1.8423113825   1.6534920161   0.7140015029
C    0.5525932796  -2.4228705913   1.2585685942
C   -3.1266993179  -0.3952537723  -0.6281337155
C   -3.1651975567   1.3775824262   1.0063952414
C   -3.7954444271   0.3451597190   0.3306138882
H    2.6020714261   2.0270024941  -1.0267483202
H    2.0179023636   1.6031523620   2.0392213952
H    3.5670433863   2.3013791382   2.4886797405
H    2.6157853417   3.0362840207   1.2041365901
H    5.5507049653   2.1414204529   1.0447554004
H    4.7059639851   2.8496101615  -0.3268306872
H    5.5204641467   1.2944959494  -0.4957431011
H    3.1825342435  -0.6183975605   1.7822687750
H    4.7597055503   0.0688020577   2.0908618285
H    4.4872222478  -0.8294032913   0.6078233175
H    0.4583630188   2.3096852942  -0.7455786328
H    3.0101140319   0.3386896469  -2.4167241387
H    2.4421014803  -1.9947577321  -1.2029693820
H   -1.3445635933   2.4572798481   1.2413692134
H    0.0383510268  -2.9834478022   2.0238376043
H   -3.6284815218  -1.1899580037  -1.1625433639
H   -3.6924382724   1.9577190590   1.7509436122
*