! 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   0.2143549666   2.2531613767  -1.1663876073
Cl   4.4174568188  -0.4873975434   0.7600182476
O   -1.3341651369   0.0983728119  -0.1560184435
O   -3.4842182917   0.3615038143  -1.4172329237
O   -4.5184127480  -1.3481771804  -0.4219402592
C   -2.3078887586  -0.8278752266   0.2794715373
C   -0.0369359005  -0.1118317888   0.1008027857
C   -2.6440808485  -0.6468351138   1.7527726477
C    0.8482219572   0.8749466808  -0.3466455163
C    0.4928461406  -1.2176037102   0.7572483864
C   -3.5563079591  -0.6349233746  -0.5604940413
C    2.2115775414   0.7669841814  -0.1507215356
C    1.8602536113  -1.3370940084   0.9596412914
C    2.7108564152  -0.3465612000   0.5071141800
H   -1.9801378875  -1.8570702545   0.0910245110
H   -3.4094746904  -1.3591708581   2.0559629664
H   -3.0114397986   0.3609942303   1.9485050873
H   -1.7716623229  -0.8188212436   2.3823761561
H   -0.1435083060  -2.0099508231   1.1263028862
H    2.8724384646   1.5444761905  -0.5086755432
H    2.2452357459  -2.2065465309   1.4741406128
H   -4.3161012530   0.4270209256  -1.9121761229
*