! 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  -0.3334998276   0.9376317373   2.9109034522
Cl   4.0586976269   1.5208876513  -0.0738002852
N   -1.1982611611  -2.3549084073  -0.3923625004
N   -1.8169692996  -2.6304980251  -1.5424197769
N    0.2505586635  -3.4907158168  -1.5442297291
C   -1.7663446404  -0.0305858693   0.3388329736
C   -2.6593877460   0.3820341304  -0.8364596012
C   -1.8155245102  -1.5404389294   0.6275970354
C   -0.3238291430   0.4048312310   0.2384096837
C   -3.0546959794   1.8574031924  -0.8452425593
C    0.4102759368   0.8294635592   1.3453239920
C    0.3700814387   0.3211863140  -0.9678300244
C   -1.9318283698   2.8536213726  -1.0977615086
C    1.7497332982   1.1810390658   1.2651805286
C    1.7081428281   0.6551828489  -1.0831385909
C    0.0334845685  -2.8697981915  -0.4088202690
C    2.3878814663   1.0894490174   0.0416204439
C   -0.9129889332  -3.3137744595  -2.1989975162
H   -2.2072353211   0.4215271485   1.2308840804
H   -2.2167200841   0.1103913841  -1.7968471795
H   -3.5782396385  -0.2062797014  -0.7669790842
H   -2.8498867548  -1.8642140098   0.7411471594
H   -1.3045404678  -1.7566410206   1.5662242759
H   -3.8164190240   1.9884710845  -1.6186320143
H   -3.5476741027   2.1002508605   0.1014524727
H   -0.1452606318  -0.0078084370  -1.8601024242
H   -1.2084584647   2.8863555190  -0.2829836234
H   -2.3363116040   3.8618150736  -1.2066448089
H   -1.3857965808   2.6214387947  -2.0142219729
H    2.2818906624   1.5172594821   2.1440349456
H    2.2069296993   0.5761055310  -2.0389859580
H    0.7207672442  -2.7747282072   0.4173827905
H   -1.1025330859  -3.7028029001  -3.1872871678
*