! 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   1.5740895425   2.0245764786   1.8125218596
Cl   4.6096593067  -0.3264587359  -1.8840007936
O   -1.5373513855  -0.9834774415   0.5438419769
O   -0.6853747082   0.1417619631   2.2609831642
N   -1.4911168818   1.5335463451  -1.0082369349
N   -0.5679004472   2.2757053208  -1.6242279777
N   -1.8868385712   1.2644139486  -3.1232131561
C   -0.7572928458   0.1278738308   0.8719898754
C   -1.4215418998  -1.9551281271   1.5865126425
C   -0.6131778382  -1.2140695374   2.6606452849
C   -2.8000426529  -2.3872639859   2.0448991953
C   -1.4991110436   1.3922583730   0.4238220355
C    0.6213889679   0.0151517577   0.2196222570
C   -3.6491500174  -3.0188530823   0.9490981032
C    1.7004020102   0.8237591277   0.5698470061
C    0.8198347600  -0.8938682870  -0.8146832974
C   -4.9944353150  -3.4995721080   1.4716615929
C    2.9284823187   0.7236943653  -0.0653232549
C    2.0334508549  -1.0141331008  -1.4706008490
C   -2.2665944812   0.9298196699  -1.9141781127
C    3.0818956139  -0.1998546666  -1.0845179161
C   -0.8451396893   2.0876464337  -2.8883470526
H   -0.8657899678  -2.8223754767   1.2137924272
H   -1.0427652624  -1.3027956004   3.6588453812
H    0.4242745747  -1.5611244900   2.7004062656
H   -3.3231912081  -1.5289816679   2.4812792428
H   -2.6623586349  -3.1103002354   2.8553135784
H   -1.0405632016   2.2819397977   0.8490048130
H   -2.5293698714   1.3411884794   0.7764192353
H   -3.1059475888  -3.8609777861   0.5088758252
H   -3.8087421458  -2.3000765743   0.1413770731
H    0.0043880384  -1.5299148276  -1.1281581471
H   -4.8718595036  -4.2288144689   2.2751825830
H   -5.5866122169  -2.6722110018   1.8680926458
H   -5.5818921963  -3.9747981021   0.6848912307
H    3.7495473900   1.3620962874   0.2301905999
H    2.1502750004  -1.7329162179  -2.2697576492
H   -3.0842851278   0.2776974426  -1.6504536157
H   -0.2775121606   2.5661032071  -3.6714741589
*