! 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   0.4076094528   0.8942846882  -2.2192393949
Cl   2.8135630810   4.4124623098   0.9758729021
O   -1.3275908187  -0.6739464436  -0.3809032215
O   -0.5576738025  -1.2900828875   1.6111877958
N    0.0171721488  -3.1069370352  -0.5243148495
N   -0.4682663381  -3.3761862725  -1.7374850266
N   -1.0441965820  -4.9832388983  -0.2893400870
C   -0.1603205183  -0.8208296921   0.3584017968
C   -2.3991433015  -0.3695811816   0.5076996211
C   -1.8462434555  -0.7687554119   1.8841271142
C    0.7393317853  -1.8901043651  -0.2648776138
C    0.6037017335   0.4987845743   0.4823335354
C   -2.8278903543   1.0847798914   0.4405615998
C   -3.3340366585   1.5129129592  -0.9261621999
C    0.8773113466   1.3236775830  -0.6081326999
C    1.0699106118   0.9151000895   1.7251956295
C    1.5542593194   2.5251131214  -0.4662612152
C    1.7487091661   2.1100356823   1.8972104966
C   -0.3409570381  -4.0674185486   0.3315254254
C    1.9781244322   2.9110575423   0.7933330388
C   -1.0923253980  -4.5091938596  -1.5499633273
H   -3.2392550949  -1.0079028190   0.2194056029
H   -1.7864159690   0.0899419095   2.5616567113
H   -2.4377054341  -1.5449887539   2.3695557733
H    1.5676052870  -2.0937790043   0.4141190854
H    1.1645677184  -1.5532817870  -1.2069731912
H   -3.6204635379   1.2191056813   1.1835628191
H   -2.0034941152   1.7307152153   0.7575553653
H   -2.5556130457   1.4405059642  -1.6856478785
H   -4.1762982933   0.8989376134  -1.2518674728
H   -3.6744606245   2.5488653764  -0.9043400911
H    0.8993316718   0.2948942285   2.5941424241
H    1.7466138577   3.1473007043  -1.3292324803
H    2.0889553256   2.4041426205   2.8802166466
H   -0.0596112074  -4.0662002924   1.3723006358
H   -1.5975682506  -5.0193889494  -2.3555446578
*