! 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   1.3881414369   1.7512095660   1.9989711709
Cl   4.7894743694   0.0185349406  -1.7158488920
O   -1.5130370216  -1.0991717192   0.0427183907
O   -0.8383042720  -0.2448348996   1.9971961965
N   -1.3984165188   1.6021217914  -1.0919686657
N   -0.4479800754   2.4292009039  -1.5313841054
N   -1.6055297866   1.5830616934  -3.2500285580
C   -0.7896595974  -0.0475167629   0.6210331610
C   -1.7748117741  -2.1048465429   1.0254709123
C   -0.9065379471  -1.6462174160   2.1917450579
C   -3.2617793811  -2.1608919040   1.3332992488
C   -1.5082406815   1.2709993617   0.3049267718
C    0.6408615372  -0.0522395681   0.0822818590
C   -3.6411096611  -3.3468568182   2.2118152378
C    1.6550946659   0.7375948846   0.6204911291
C    0.9611420610  -0.8206720776  -1.0321053482
C   -5.1253568851  -3.3693405196   2.5418532987
C    2.9309812293   0.7624483911   0.0794619574
C    2.2259812646  -0.8155740220  -1.5956696259
C   -2.0777260345   1.1003024155  -2.1262935338
C    3.2030303899  -0.0163267708  -1.0314238531
C   -0.6106418519   2.3884865299  -2.8275977455
H   -1.4357553399  -3.0684141361   0.6335074324
H   -1.3418000065  -1.8379480284   3.1722113426
H    0.0897958062  -2.1011855966   2.1622751550
H   -3.8117734008  -2.2236747605   0.3888630270
H   -3.5719527875  -1.2263383459   1.8153545987
H   -1.0907080240   2.0967974936   0.8751394065
H   -2.5604551031   1.1747191208   0.5734942514
H   -3.0688961403  -3.3254021314   3.1444043311
H   -3.3625539251  -4.2775050100   1.7080977259
H    0.2034703212  -1.4442741110  -1.4842407372
H   -5.3824651016  -4.2308258523   3.1596009790
H   -5.4237199229  -2.4730223332   3.0890504508
H   -5.7355446584  -3.4201680335   1.6379096455
H    3.6981341160   1.3843291796   0.5193783093
H    2.4363206334  -1.4256210780  -2.4631355926
H   -2.8976963351   0.4089715763  -2.0137473585
H    0.0081488946   2.9661533128  -3.4965751373
*