! 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   0.7322155599  -1.1827463519  -2.0746226667
Cl   5.2499281672  -0.7394261775   0.7602714104
O   -1.0929368238   1.3294194193   1.0539997193
N   -2.8625493095  -0.8369648022   0.4194693366
N   -4.7561669017  -0.8699102245  -0.7075246285
C   -0.6752024560   0.2677128874   0.2434679278
C   -1.4499554189  -0.9739806917   0.6818030897
C    0.8141190180   0.0229196575   0.3570860914
C    1.5341048825  -0.6340011243  -0.6364636600
C    1.5143974709   0.4266726060   1.4892615265
C   -3.7878955424  -0.2024724401   1.1998547060
C   -3.4949820944  -1.2088758653  -0.7158701889
C   -1.0106773556   2.6088669988   0.4461722353
C    2.8939460502  -0.8774144445  -0.5287807092
C    2.8733020212   0.1996673123   1.6282310821
C    3.5520886448  -0.4512289252   0.6120121407
C   -4.9519856122  -0.2409037805   0.4894848800
C   -2.0295365165   2.7781912246  -0.6354248066
C   -1.7341844966   3.1326782651  -1.8791598921
H   -0.9227889322   0.4674654789  -0.8076287961
H   -1.0848599081  -1.8541769586   0.1530494274
H   -1.2970914234  -1.1546986993   1.7466919663
H    0.9889987480   0.9386588522   2.2841343271
H   -3.5487564120   0.1992906818   2.1696287655
H   -2.9821585458  -1.7329950063  -1.5088771254
H   -1.1938034645   3.3240687545   1.2512459523
H   -0.0024780600   2.8079258925   0.0616223192
H    3.4261376538  -1.3871403704  -1.3198657989
H    3.3907536535   0.5283004199   2.5187303512
H   -5.9161140894   0.1474595879   0.7796660312
H   -3.0633634574   2.6008972066  -0.3520765999
H   -2.5038240802   3.2671851085  -2.6284852093
H   -0.7124112282   3.3108504594  -2.1952172311
*