! 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   0.6233976780  -1.0757038935   2.5725000519
Cl   4.2397898023  -1.6588545715  -1.2969020871
O   -2.0944463831   0.2650956639  -0.7712725835
O   -1.9817829979  -0.8850016516   1.1256227494
N   -0.3111128628   2.3097556574   0.6901169164
N   -0.4674169744   2.9299934123  -0.4798524927
N    1.5149459378   3.4479670511   0.4238450120
C   -1.3128780989   0.0746845339   0.3700388290
C   -2.8538321674  -0.9197055605  -1.0216095111
C   -2.5281593500  -1.7985142479   0.1931496497
C   -1.2804066425   1.3730280007   1.1892667662
C    0.0929998095  -0.3861374056  -0.0221007957
C   -4.3216889669  -0.5573554961  -1.1606835384
C   -5.1640508750  -1.7386389487  -1.6163117947
C    1.0066009509  -0.9097211383   0.8907427855
C    0.5200385994  -0.2496521687  -1.3395164499
C    2.2801469519  -1.3042870604   0.5096431842
C    1.7848820232  -0.6353634154  -1.7492902161
C    0.8782165821   2.6195383596   1.2134707763
C    2.6555057056  -1.1659932910  -0.8149440622
C    0.6489000132   3.6028006399  -0.5967459804
H   -2.5007244163  -1.3899629638  -1.9458615616
H   -3.4050030533  -2.2646081103   0.6431061623
H   -1.8107535221  -2.5873615034  -0.0551470803
H   -1.0234045115   1.1526345504   2.2231369866
H   -2.2700827931   1.8298084618   1.1813300520
H   -4.4159793992   0.2549906493  -1.8856356640
H   -4.6923839867  -0.1739452490  -0.2051265885
H   -5.1302539946  -2.5684369166  -0.9076656862
H   -6.2098409183  -1.4501491423  -1.7228794026
H   -4.8292000442  -2.1186811005  -2.5832507742
H   -0.1519675876   0.1730818726  -2.0723854272
H    2.9670234824  -1.7102164806   1.2392694449
H    2.0804316898  -0.5192733841  -2.7827243827
H    1.2248655922   2.2302700031   2.1584926600
H    0.8470724706   4.2334463326  -1.4494157424
*