! 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  -0.3450982380  -1.2336049955   2.0686619840
Cl   0.9595881903  -5.3435633420  -1.0591018566
O   -0.8087909794   0.9894410303   0.1984886983
O    0.5025688549   1.2697555798  -1.5950427233
N    1.4489471986   2.5895824090   0.7282714359
N    2.0428678379   3.4763116259  -0.0729503388
N    0.7822786893   4.5214440006   1.4543921311
C    0.4273565207   0.6408013036  -0.3543188035
C   -1.6087667399   1.6556463251  -0.7778465218
C   -0.8257844979   1.4139287498  -2.0593115941
C   -3.0251067613   1.1199282736  -0.8261270862
C    1.5709404188   1.1729000555   0.5167536817
C    0.5458176019  -0.8764685387  -0.4957602402
C   -3.9234183772   1.5157215239   0.3417452123
C    0.2168786537  -1.7712792641   0.5215270164
C    1.0332324306  -1.4153209011  -1.6827225147
C   -3.5459792989   0.9134984595   1.6876825221
C    0.3415576740  -3.1429328794   0.3568010801
C    1.1656627853  -2.7799504941  -1.8755344777
C    0.6940870520   3.2254702069   1.6284043533
C    0.8105473819  -3.6352838855  -0.8481767428
C    1.6179711343   4.6183829415   0.4005586073
H   -1.6278572299   2.7278369196  -0.5433933981
H   -1.1676952381   0.5085928399  -2.5777446197
H   -0.8677569182   2.2492407532  -2.7570150094
H   -2.9937478193   0.0305133699  -0.9311461099
H   -3.4736400668   1.5036465017  -1.7487657755
H    2.5296290066   0.9748421896   0.0396349666
H    1.5760393239   0.6737091333   1.4841832784
H   -4.9444450078   1.2127927997   0.0947827528
H   -3.9488279130   2.6071566922   0.4207424647
H    1.3180179481  -0.7543075227  -2.4893546988
H   -2.5926150075   1.2877172081   2.0579112849
H   -4.3038077681   1.1480592952   2.4374606605
H   -3.4675766912  -0.1733120243   1.6283304458
H    0.0754741869  -3.8144284243   1.1613025543
H    1.5406935640  -3.1621862811  -2.8146723074
H    0.1192478474   2.7123094956   2.3827943467
H    1.9286958347   5.5609355651  -0.0229832492
*