! 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  -0.4943321324  -0.3118593559  -2.0142285069
Cl  -4.5452796603  -2.1051936918   0.9719298106
O    3.2402047406  -0.8072353834  -0.3114866039
N    1.9521636548  -1.2363137701  -0.2608120910
N    2.5761531286   3.5211156996  -0.8377634832
C    1.6884193037   0.6047879480   1.3717901877
C    1.2325075726  -0.5704998686   0.5457178751
C   -0.1954891355  -0.9557424180   0.6117140519
C    1.5464905032   1.8647915303   0.5587770814
C   -1.0528870405  -0.8875364130  -0.4852383872
C   -0.7328725477  -1.3745867959   1.8270903549
C    0.3137862368   2.4823533953   0.3819048901
C    2.6426098596   2.4335516576  -0.0817072356
C   -2.3914334574  -1.2385606832  -0.3827852209
C   -2.0610197655  -1.7375524663   1.9550025769
C   -2.8795399306  -1.6661678181   0.8393354485
C    0.2318403709   3.6152723710  -0.4100005949
C    1.3907657290   4.0953206584  -0.9992287958
C    3.9687835091  -1.5655985528  -1.2579008848
H    1.0739387430   0.6753909810   2.2705249937
H    2.7205150411   0.4763923824   1.6977269782
H   -0.0919040975  -1.4299937986   2.6978941795
H   -0.5736109435   2.0897052728   0.8641649881
H    3.6250773605   1.9881852732   0.0341097450
H   -3.0409679811  -1.1723347679  -1.2444338045
H   -2.4466691116  -2.0692936466   2.9086996064
H   -0.7109433981   4.1215408156  -0.5663957658
H    1.3604605763   4.9806038526  -1.6246673721
H    3.9851750498  -2.6275338309  -1.0025745435
H    4.9870719287  -1.1814679869  -1.2349122147
H    3.5682939274  -1.4458475845  -2.2669604628
*