! 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  -0.2891042699  -0.4777397032   2.7155752331
Cl   2.0093060255  -4.1971115824  -0.3287547031
O   -1.7474485564   1.2765663641   0.8163522553
O   -0.8163823698   1.7175891959  -1.1833438129
N    1.7305345614   2.2139069002   0.2638488361
N    2.6743597528   1.4431892437   0.8090662050
N    3.4381131592   2.4108250247  -1.0588625636
C   -0.5405136842   1.2671432720   0.1153977765
C   -2.8216604269   1.3466891800  -0.1156176972
C   -2.1742542451   2.1243869998  -1.2508120530
C   -3.3391051451  -0.0324251937  -0.4989684069
C    0.4020729924   2.2641626809   0.8137486725
C    0.0789125478  -0.1240593493   0.0275987346
C   -4.6461508012   0.0272453633  -1.2808739471
C    0.2303720880  -0.9557003031   1.1346476569
C    0.5636375803  -0.5919778519  -1.1900006092
C   -5.1578440806  -1.3566374707  -1.6509046920
C    0.8159273612  -2.2085607452   1.0341970421
C    1.1613815547  -1.8340152172  -1.3178338806
C    2.1966611477   2.7790268454  -0.8540877577
C    1.2770889373  -2.6365290832  -0.1977909522
C    3.6798124225   1.5941986059  -0.0132541546
H   -3.6203388418   1.9222409285   0.3590241771
H   -2.5649124025   1.8765862706  -2.2384634061
H   -2.2668628602   3.2054718590  -1.1047863402
H   -3.4938173661  -0.6075607212   0.4186331443
H   -2.5860942159  -0.5728466298  -1.0823015893
H    0.4733074674   2.0566902827   1.8788361456
H    0.0021316590   3.2720554980   0.6966792630
H   -4.5149361126   0.6175006215  -2.1928128863
H   -5.4024598056   0.5499155728  -0.6872583182
H    0.4744202757   0.0247824813  -2.0723073535
H   -5.3218418748  -1.9701017554  -0.7626921254
H   -6.1043881420  -1.3007455576  -2.1902415131
H   -4.4471480515  -1.8861136897  -2.2885485861
H    0.9112308607  -2.8375495091   1.9083966993
H    1.5259210897  -2.1654887104  -2.2801825484
H    1.6121587579   3.4466800547  -1.4672338678
H    4.6258407597   1.1006059650   0.1477584145
*