! 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  -0.5233635558  -0.3374285807  -2.0159986280
Cl  -4.5475682152  -2.1509251567   0.9929986817
O    3.2187905904  -0.7675099592  -0.3141971110
N    1.9351348501  -1.2087230248  -0.2638670052
N    2.6413265865   3.5415132631  -0.7984618052
C    1.6623596322   0.6249368120   1.3732051669
C    1.2110323219  -0.5514435841   0.5458632426
C   -0.2123932266  -0.9517737402   0.6162670815
C    1.5547316367   1.8824972129   0.5510066924
C   -1.0717007538  -0.9060406647  -0.4805499143
C   -0.7437782590  -1.3646800645   1.8364385788
C    0.3298168211   2.4980625209   0.3206003063
C    2.6765578549   2.4533757933  -0.0409657058
C   -2.4056066752  -1.2729140901  -0.3730188136
C   -2.0671157930  -1.7428077765   1.9695117708
C   -2.8873949851  -1.6935703622   0.8539838318
C    0.2805375564   3.6317810904  -0.4727672727
C    1.4632987201   4.1143549291  -1.0104496895
C    3.9523929601  -1.5115406683  -1.2681461836
H    1.0300094942   0.7093990381   2.2581349714
H    2.6856845238   0.4859254310   1.7222914798
H   -0.1016205248  -1.4031446957   2.7072739874
H   -0.5773877560   2.1038241980   0.7632119436
H    3.6538290485   2.0097913970   0.1174782769
H   -3.0567718659  -1.2240382527  -1.2346443221
H   -2.4477502979  -2.0690288313   2.9271031055
H   -0.6553428612   4.1367666836  -0.6695168809
H    1.4587833557   5.0002816941  -1.6356716549
H    3.5496753410  -1.3860427984  -2.2756149314
H    3.9776774687  -2.5755175446  -1.0222532116
H    4.9675567037  -1.1194127704  -1.2429289128
*