! 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  -0.4470164333  -0.8758807914  -2.1879605714
Cl   4.0378737162  -2.0916942287   0.4484275917
O   -0.7688055450   2.5350708355   0.5024375633
N   -2.4035667321  -0.7092726704   0.6968010776
N   -2.3445668208  -2.9112593790   0.6512494266
C   -0.9876254094   1.2200241039   0.0669649632
C   -2.0429943404   0.6484231875   1.0211273780
C    0.2789305205   0.3926242539   0.1067402540
C    0.5974927857  -0.5749189800  -0.8394638715
C    1.1662267818   0.5646321310   1.1669102707
C   -3.3576749304  -1.1047023063  -0.1997021554
C   -1.8214601617  -1.8338028784   1.1714912436
C   -0.0137083238   3.3271770073  -0.3971428713
C    1.7492054877  -1.3438324118  -0.7479347050
C    2.3209631328  -0.1865316043   1.2883677780
C    2.6010107211  -1.1394732499   0.3219256931
C   -3.3066044038  -2.4668574497  -0.2107400726
C    0.1577275285   4.6824070106   0.2004428736
C   -0.1081094799   5.8123801663  -0.4406752573
H   -1.3996470883   1.2216576628  -0.9502159842
H   -1.6701811881   0.6762568055   2.0461224007
H   -2.9387481673   1.2679779159   0.9803211279
H    0.9524814161   1.3113758534   1.9213457588
H   -3.9738858492  -0.3996032524  -0.7327347147
H   -1.0314085694  -1.8025729361   1.9069541538
H    0.9737795378   2.8783568687  -0.5698351060
H   -0.5128930953   3.3906616136  -1.3724638339
H    1.9725315578  -2.0878547258  -1.4999248051
H    2.9895528675  -0.0281007746   2.1231021007
H   -3.9137172822  -3.1468966206  -0.7883141225
H    0.5617033682   4.7144346632   1.2082925452
H    0.0694707063   6.7764110384   0.0184069946
H   -0.5113876048   5.8209607532  -1.4468991569
*