! 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  -0.9648800251  -1.4432645941   2.4852650354
Cl  -4.1895407355   1.2487237236  -0.8470326108
O    0.6938328025  -2.9906715644  -0.8965757778
N    1.5964183657  -2.3041965608  -0.1450331034
N    3.5038778262   2.2537174254  -1.1672926451
C    2.0654570166  -0.3502341206   1.1306006933
C    1.1448705053  -1.2088796208   0.3081886656
C   -0.2058441687  -0.6752349188   0.0103645364
C    2.2850097106   0.9785229947   0.4593898626
C   -1.2252391721  -0.6817698712   0.9535218913
C   -0.4607312934  -0.0827872161  -1.2224963331
C    1.4736206469   2.0773439005   0.7143107523
C    3.2838491049   1.1316408834  -0.4963507653
C   -2.4577227913  -0.0985421860   0.7050591862
C   -1.6811779689   0.5057783931  -1.5011982230
C   -2.6663967023   0.4979685611  -0.5266119750
C    1.6918940884   3.2553593747   0.0185487320
C    2.7173592269   3.2924819136  -0.9129163619
C    1.2770867517  -4.1817720673  -1.3894508100
H    1.6357001864  -0.1962050621   2.1234994220
H    3.0110272357  -0.8768188131   1.2659471928
H    0.3153647739  -0.0665313904  -1.9763637909
H    0.6806560954   2.0175131384   1.4503876349
H    3.9408212880   0.2977633026  -0.7255848002
H   -3.2349834236  -0.1117266471   1.4565359331
H   -1.8549324541   0.9669242571  -2.4631389271
H    1.0803297645   4.1302997874   0.1920042262
H    2.9120555135   4.1987130550  -1.4754059003
H    0.5122954029  -4.6609018509  -1.9979687651
H    1.5634703125  -4.8604872573  -0.5822669001
H    2.1505086931  -3.9804193754  -2.0145042360
*