! 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  -0.3589057673  -1.1108067762   2.1828301154
Cl   0.7490556144  -5.3065881876  -0.9041598542
O   -0.7576672860   1.1185042923   0.2786908938
O    0.5227115497   1.3086859838  -1.5287455074
N    1.5813900176   2.6545355582   0.6886708070
N    2.2588405696   3.4396510592  -0.1516340369
N    1.0268334381   4.6734696632   1.2528702464
C    0.4502023462   0.7044046443  -0.2769114310
C   -1.6796009516   1.4019001566  -0.7708303895
C   -0.7982027729   1.4054668374  -2.0282587856
C   -2.8035462126   0.3847623140  -0.8403691607
C    1.6134733491   1.2220698179   0.5725484793
C    0.5248127786  -0.8194231589  -0.3936785757
C   -3.6700344117   0.2880039115   0.4106405555
C    0.1661483353  -1.6880437118   0.6360764509
C    0.9904384138  -1.3926255440  -1.5733552720
C   -4.4095706035   1.5714489533   0.7604578863
C    0.2305524670  -3.0654693992   0.4875392486
C    1.0678761054  -2.7637014704  -1.7490948822
C    0.8448821652   3.4022831130   1.5143835232
C    0.6759926299  -3.5912849769  -0.7122655331
C    1.9002592879   4.6382421181   0.2264014159
H   -2.0826634721   2.4003813061  -0.5812474397
H   -1.0338829732   0.5634732300  -2.6893475361
H   -0.8839095833   2.3262719870  -2.6046014044
H   -2.3825747081  -0.5991561119  -1.0708929388
H   -3.4311022248   0.6545506706  -1.6972315020
H    2.5609429888   0.9364669702   0.1184068442
H    1.5815706374   0.7832969746   1.5684244437
H   -3.0573865986  -0.0291487638   1.2575541988
H   -4.3987703321  -0.5113402934   0.2531798278
H    1.3023741279  -0.7537349123  -2.3878995355
H   -5.0951347056   1.4102057334   1.5937642435
H   -3.7323979438   2.3741417000   1.0571115968
H   -5.0011438600   1.9346221022  -0.0829833012
H   -0.0626437785  -3.7151931458   1.3004850047
H    1.4285528554  -3.1724870009  -2.6826082250
H    0.2131492554   2.9852655820   2.2823688330
H    2.2864770003   5.5247983269  -0.2524996087
*