! 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   1.8727824531   1.9974254701   1.7451663855
Cl   4.4765034783  -0.4370549673  -2.2147427533
O   -1.4717276452  -0.8588464568   0.7167048772
O   -0.3804832642   0.1903276674   2.3860170394
N   -1.4672263861   1.5528791666  -0.8510472412
N   -0.5789355910   2.1738885698  -1.6307020722
N   -2.1286700950   1.1472339338  -2.8761432826
C   -0.5965859142   0.1914562109   1.0035085111
C   -1.6711009050  -1.6504063942   1.8855987682
C   -1.3374387294  -0.6629962476   2.9886678984
C   -3.0871386908  -2.1788754687   1.9250973834
C   -1.2924631558   1.4986633968   0.5778583758
C    0.7199967504   0.0116553904   0.2593823668
C   -3.4219641165  -3.1502751297   0.8000769141
C    1.8483898262   0.7915977367   0.5026886192
C    0.7976865946  -0.9134153183  -0.7760990709
C   -4.8540589024  -3.6548538935   0.8857590828
C    3.0076603728   0.6551377697  -0.2449016171
C    1.9402581909  -1.0681968883  -1.5425549870
C   -2.3816903494   0.9382978577  -1.6069088566
C    3.0395177218  -0.2756402008  -1.2680972903
C   -1.0150944303   1.9059562616  -2.8325865522
H   -0.9569227706  -2.4843884186   1.8913558131
H   -2.2226233537  -0.1016092217   3.3122118430
H   -0.8892784077  -1.1335159600   3.8637605404
H   -3.7842211624  -1.3343315252   1.9128913773
H   -3.2244429833  -2.6790259601   2.8894963280
H   -0.7136701690   2.3694377451   0.8758409021
H   -2.2679849064   1.5619944480   1.0617773920
H   -2.7314182819  -3.9983119442   0.8340677804
H   -3.2658904345  -2.6652452490  -0.1669670610
H   -0.0594040941  -1.5314562749  -1.0020362862
H   -5.5697759891  -2.8334784453   0.8130895079
H   -5.0783620004  -4.3554527151   0.0802282648
H   -5.0412352963  -4.1704602896   1.8299711249
H    3.8689992254   1.2732785149  -0.0330797378
H    1.9630210444  -1.7940912309  -2.3433329980
H   -3.2008889905   0.3696111901  -1.1968801416
H   -0.5158109119   2.2768778766  -3.7143198739
*