! 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  -0.5048737126  -0.6521546200   2.5423214716
Cl   2.1754169938  -4.0690974540  -0.5444174295
O   -1.7544448149   1.2836879488   0.7119958235
O   -0.7455080460   1.8722371329  -1.1841977922
N    1.7603733558   2.2116412962   0.3857695318
N    2.6688415157   1.4178894161   0.9571041831
N    3.5408400871   2.4456987840  -0.8296628865
C   -0.5143533560   1.3133908913   0.0738855203
C   -2.7924564296   1.3034354895  -0.2670626901
C   -2.0243928528   1.4118656381  -1.5868674284
C   -3.6789130006   0.0785905827  -0.1607308204
C    0.4035280346   2.2553655954   0.8628002181
C    0.1053463451  -0.0779064345  -0.0616642208
C   -4.8467536389   0.1319969489  -1.1395935728
C    0.1682146403  -0.9952054327   0.9843430998
C    0.7189531962  -0.4371052695  -1.2581730583
C   -5.7573650625  -1.0804695745  -1.0251583238
C    0.7955045432  -2.2240293123   0.8439758982
C    1.3547129765  -1.6549411927  -1.4269592788
C    2.2911146802   2.8127854667  -0.6833947725
C    1.3849475301  -2.5418835155  -0.3665035448
C    3.7194742721   1.5918263702   0.1983641345
H   -3.3913512537   2.2047635352  -0.0958729174
H   -1.9539679470   0.4425163195  -2.0962555423
H   -2.4499926342   2.1349446407  -2.2808328166
H   -4.0658941902   0.0071533913   0.8596872654
H   -3.0817198173  -0.8225686852  -0.3357575260
H    0.4120709851   1.9829312795   1.9157299653
H    0.0223405048   3.2737486632   0.7814103855
H   -4.4751974079   0.2047445319  -2.1666385689
H   -5.4271023567   1.0425265184  -0.9621186680
H    0.7089319044   0.2520769360  -2.0910270679
H   -5.2217517751  -2.0041533330  -1.2523099494
H   -6.1668566011  -1.1768045118  -0.0176917404
H   -6.5988302198  -1.0110219135  -1.7158540112
H    0.8281059006  -2.9175565797   1.6728557334
H    1.8202175331  -1.8985116871  -2.3717733929
H    1.7434928867   3.5032659234  -1.3054116064
H    4.6531371990   1.0886766589   0.3967887877
*