! 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  -0.3447646526  -1.6852991362  -2.3375276873
Cl  -4.3138997947  -0.8540600326   1.1571023195
O    3.6163114930  -1.3248427124   0.2689918044
N    2.2883681223  -1.4924468046   0.5079477274
N    1.3446704787   3.5849698252   0.9182182216
C    1.9732514570   0.4387508815  -1.0330617491
C    1.5389067582  -0.6835986892  -0.1214682797
C    0.0915964773  -0.8008071554   0.1859727776
C    1.3277757348   1.7256570048  -0.5985240452
C   -0.8522548422  -1.1896659474  -0.7583531967
C   -0.3681397475  -0.4516245260   1.4522217636
C    0.1327999931   2.1788641559  -1.1428678820
C    1.8853658411   2.4772349989   0.4303211167
C   -2.2080448247  -1.2150586542  -0.4741408895
C   -1.7152420637  -0.4694810394   1.7681849999
C   -2.6245967181  -0.8445935972   0.7933002830
C   -0.4439436732   3.3335482007  -0.6403242318
C    0.1975375153   3.9977054995   0.3931562175
C    4.3640942763  -2.2543723108   1.0303477580
H    3.0577452295   0.5363005988  -1.0276051414
H    1.6873894604   0.2059576698  -2.0607847783
H    0.3452501921  -0.1414351647   2.2042315635
H   -0.3440561163   1.6373341024  -1.9512084922
H    2.8212305526   2.1600312014   0.8815159868
H   -2.9216071507  -1.5230389346  -1.2258117345
H   -2.0462009434  -0.1854099280   2.7572493646
H   -1.3747239078   3.7132086192  -1.0390659010
H   -0.2299957058   4.9025092469   0.8103507446
H    5.4098786994  -2.0693303902   0.7917924852
H    4.1185837991  -3.2858015919   0.7676722178
H    4.2159273468  -2.1135075625   2.1035999714
*