! 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   2.9590306221  -1.9230148554   0.1464584764
Cl   3.8878856585   1.0857951239  -0.0689891916
O   -2.9831097742   1.5856123918   0.0738377337
N   -1.8359669423  -0.3797524604   0.0055098276
C   -0.5082049610   0.0399182346  -0.0143251022
C    0.4590137633  -0.9627786091   0.0650057901
C   -0.0953084346   1.3691425839  -0.1150926913
C   -2.9708434913   0.3687129605   0.0166867084
C    1.8048111520  -0.6498206965   0.0476682543
C    1.2562187201   1.6683107495  -0.1309149917
C    2.2163705441   0.6741678308  -0.0491138693
C   -4.2443369489  -0.4136901998  -0.0287885671
C   -5.3891478070   0.1858001793   0.7239605943
C   -4.3470204699  -1.5201965516  -0.7626302773
H   -1.9651678901  -1.3786176135   0.0669253199
H    0.1597347367  -2.0006890238   0.1407039275
H   -0.8048049157   2.1760797292  -0.1819631583
H    1.5641579811   2.7020111113  -0.2099336120
H   -5.6226319986   1.1867017723   0.3585637409
H   -6.2837094975  -0.4270902098   0.6245430723
H   -5.1583053435   0.2803079594   1.7870688557
H   -5.2827922846  -2.0605388655  -0.8278911373
H   -3.5268952946  -1.9235928194  -1.3434955102
*