! 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   0.1682828344  -1.9196336120   2.0674504513
Cl   4.5232242742  -0.4837442737  -0.6404126280
O   -2.0262453935  -0.1083998146  -1.4131193549
O   -2.0480914831  -1.7358546941   0.1431234472
N   -1.4633398274   1.8424183750   0.6502640682
N   -2.1256599198   2.6732979354  -0.1570835934
N   -0.2214415787   3.6182917087   0.5463110952
C   -1.5009230432  -0.4839099514  -0.1772384562
C   -1.9415092339   0.5113646022   0.9159500921
C    0.0155261663  -0.5346719058  -0.2904511878
C   -3.2246961560  -0.8397865861  -1.6083220834
C   -2.9084924017  -2.1448911274  -0.9122767354
C    0.8271893744  -1.1366450000   0.6698481190
C    0.6527010999   0.0963586799  -1.3556080424
C    2.2106114056  -1.1300970909   0.5679110007
C    2.0310861178   0.1226385808  -1.4787229977
C   -0.3272685524   2.4165187408   1.0570100914
C    2.8008213296  -0.4979621423  -0.5114632717
C   -1.3473148001   3.7235592704  -0.1874120281
H   -1.5764934863   0.1985769080   1.8929283758
H   -3.0299644278   0.5426585525   0.9715360587
H   -3.4017473241  -0.9434621042  -2.6778940304
H   -4.0824872211  -0.3281823105  -1.1588222120
H   -3.7859201191  -2.6346468748  -0.4905472459
H   -2.3959619907  -2.8470274571  -1.5769965817
H    0.0646356546   0.5878465302  -2.1169693657
H    2.8142154469  -1.6105849593   1.3253249826
H    2.4903069456   0.6242376418  -2.3190369745
H    0.3720524185   1.9340282887   1.7225268932
H   -1.6027298494   4.6040657185  -0.7564568296
*