! 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  -0.9309097949  -1.3697320724   2.5205601100
Cl  -4.1901984821   1.2173831878  -0.8585008744
O    0.6535915394  -3.0378053867  -0.8503793115
N    1.5771644030  -2.3468286093  -0.1288924466
N    3.4156606832   2.2360746354  -1.2680322124
C    2.0936466710  -0.3733602512   1.0940378906
C    1.1478200801  -1.2335703394   0.3024978931
C   -0.2003969862  -0.6894137584   0.0109373246
C    2.2883325857   0.9573905492   0.4204815992
C   -1.2061418116  -0.6582980860   0.9679050954
C   -0.4669792821  -0.1292913408  -1.2346510145
C    1.5118391108   2.0636294920   0.7406419284
C    3.2228834326   1.1077931119  -0.5985365278
C   -2.4390218046  -0.0762987020   0.7170338695
C   -1.6878335815   0.4571130885  -1.5159675726
C   -2.6622627112   0.4800085996  -0.5306383099
C    1.7006730000   3.2476519417   0.0467594430
C    2.6637900628   3.2828800934  -0.9489581172
C    1.2213423415  -4.2380972408  -1.3399695341
H    1.6976452639  -0.2211407704   2.1012455314
H    3.0431530150  -0.9001015254   1.1993714741
H    0.3005926783  -0.1372584024  -1.9973421491
H    0.7693018008   2.0045247681   1.5276898009
H    3.8494263175   0.2671938450  -0.8825597356
H   -3.2066615289  -0.0623446333   1.4783479418
H   -1.8712818950   0.8924049561  -2.4882069619
H    1.1143746268   4.1280894836   0.2719443584
H    2.8357499459   4.1939862684  -1.5110038599
H    1.5380055855  -4.8995056535  -0.5295262817
H    2.0714990699  -4.0473853394  -1.9994629585
H    0.4374805636  -4.7321516837  -1.9115281009
*