! 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   1.8545545508  -0.7034358295   2.6727675949
Cl  -6.8065618454   2.5458888941  -2.3698221567
O    3.1831292183   0.7923223142  -1.3680333655
O    3.7193705940   0.3834360515   0.7483080801
O   -2.6742763816  -0.2475847681   0.6958401907
N    3.2087080271  -2.4907183867   0.2372222724
N    4.1171573250  -2.7429946646   1.1810345157
N    2.3415181924  -4.0841302902   1.4260448879
C    2.9328757043  -0.0773982555  -0.2970431797
C    3.6152539117   2.0524962258  -0.8446879821
C    3.4107497921  -1.4625676549  -0.7478732300
C    3.6610307240   1.7943843680   0.6655978359
C    1.4366996348  -0.0810922142   0.0306055782
C    4.9520300668   2.4180961259  -1.4484803424
C    0.8850274653  -0.3615458939   1.2805475329
C    0.5371704907   0.1451959944  -1.0101382328
C   -0.4863265222  -0.3842506651   1.4844006069
C   -0.8351007122   0.1097913541  -0.8402139900
C   -1.3462711446  -0.1509100586   0.4233012863
C    2.1544619283  -3.2969365531   0.3962331632
C    3.5572492578  -3.7040958712   1.8681240198
C   -3.5926032455   0.4278219936  -0.0614434295
C   -3.4831911266   1.7917821847  -0.2979249880
C   -4.6850948276  -0.2841083346  -0.5297013923
C   -4.4736096256   2.4440627045  -1.0142169808
C   -5.6823307304   0.3695700024  -1.2367312417
C   -5.5664346935   1.7283518903  -1.4791589734
H    2.8720633503   2.8174915767  -1.0872261551
H    4.4734347531  -1.4198608970  -0.9854799408
H    2.8732320142  -1.7449266638  -1.6527132197
H    4.5447125998   2.2092134712   1.1500806475
H    2.7731096096   2.1882956826   1.1723267072
H    5.2577262754   3.4079814566  -1.1079947691
H    5.7280752482   1.7063192939  -1.1612849316
H    4.8989544240   2.4485337377  -2.5375203985
H    0.9187106669   0.3533487727  -2.0003210964
H   -0.8896492114  -0.5912212876   2.4670088917
H   -1.4812893729   0.2791081008  -1.6911034348
H    1.2976442979  -3.2798483640  -0.2593667053
H    4.0448228800  -4.1521648388   2.7200321907
H   -2.6387725338   2.3560109978   0.0762754535
H   -4.7652976777  -1.3457733824  -0.3366000267
H   -4.3915773066   3.5064836231  -1.1978405984
H   -6.5371135155  -0.1853631140  -1.5970009377
*