! 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   0.0045819202  -1.7116857661   2.1767565840
Cl   4.3638960048  -0.5266082946  -0.6517762991
O   -2.2242780169  -0.1212150344  -1.4100974234
O   -2.2242692636  -1.6582755632   0.1920180912
N   -1.4619113406   1.8772678060   0.6409614144
N   -0.3527536867   2.1940357410   1.3135390660
N   -0.8379825147   3.7815327574  -0.1876952089
C   -1.6660480785  -0.4350016639  -0.1657834415
C   -2.1236678456   0.6164885244   0.8499272213
C   -0.1418510101  -0.5029189533  -0.2724560526
C   -2.4824408431  -1.3450046798  -2.0904796175
C   -2.3075173316  -2.4129277588  -1.0045263766
C    0.6695419884  -1.0411445486   0.7241222107
C    0.4945056467   0.0364944002  -1.3855413433
C    2.0512651861  -1.0563908419   0.6164252897
C    1.8726995533   0.0366240959  -1.5212885324
C   -1.7353652234   2.8287953827  -0.2569866633
C    2.6405817032  -0.5141638124  -0.5123994286
C   -0.0163142457   3.3428074350   0.7871769065
H   -1.9081321669   0.2912338691   1.8648069377
H   -3.2016482114   0.7527073878   0.7613076992
H   -1.7871946776  -1.4900246064  -2.9207918748
H   -3.4963546453  -1.3087985745  -2.4904216648
H   -3.1545902760  -3.0932538963  -0.9279646084
H   -1.4006080923  -3.0048594330  -1.1607434412
H   -0.0958133873   0.4775724080  -2.1760631293
H    2.6559848534  -1.4818899887   1.4053134577
H    2.3312830403   0.4637721430  -2.4021522739
H   -2.5875674428   2.7904368499  -0.9169851582
H    0.8528025098   3.8879816259   1.1215021601
*