! 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  -0.5622692382  -0.8946163863  -2.1819061770
Cl   4.0443710295  -1.9887200884   0.2899454795
O   -0.8519901019   2.5309573330   0.5004955659
N   -2.4011303183  -0.7532644034   0.7594619220
N   -2.2865130734  -2.9529427312   0.7255718248
C   -1.0614330599   1.2120776869   0.0735709671
C   -2.0684031253   0.6152410660   1.0648823068
C    0.2262816907   0.4167213450   0.0674574687
C    0.5263121175  -0.5573943554  -0.8784942018
C    1.1524587611   0.6225866359   1.0875281284
C   -3.3721555760  -1.1794597136  -0.1041500379
C   -1.7751287577  -1.8592190636   1.2225878431
C   -0.2431822419   3.3604630555  -0.4732506942
C    1.6961700782  -1.3015731315  -0.8233836409
C    2.3259651932  -0.1045651355   1.1722261530
C    2.5859392771  -1.0657279821   0.2085428405
C   -3.2868070747  -2.5396984987  -0.1080708274
C   -0.1355340637   4.7391056448   0.0859820524
C    0.9924525890   5.4363982825   0.1160489715
H   -1.5111078988   1.2044695192  -0.9273860936
H   -1.6636620758   0.6602206138   2.0770594715
H   -2.9816844143   1.2096829226   1.0500598792
H    0.9520696592   1.3755081739   1.8394388865
H   -4.0216300512  -0.4940044525  -0.6237734927
H   -0.9626276873  -1.8046625676   1.9323835854
H    0.7464348881   2.9855519601  -0.7606815907
H   -0.8595981232   3.3745439785  -1.3826970403
H    1.9041319921  -2.0520535628  -1.5734314122
H    3.0247429812   0.0768495124   1.9773839770
H   -3.8923680941  -3.2403749544  -0.6625128683
H   -1.0582349234   5.1800813805   0.4541786833
H    1.0207857128   6.4495325790   0.4974182898
H    1.9299339067   5.0269016338  -0.2443257891
*