! 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   1.1713711822  -1.7200872581  -1.8562745791
Cl   5.1055934824   1.3807222219  -0.0461788623
O   -0.8685707068  -1.6978439523   0.2545717869
O   -1.2083205163   0.1663495445   1.4516570762
N   -1.4056752494   1.7234758565  -0.9505579342
N   -2.2982491835   2.4469149272  -0.2717061177
N   -0.7769712385   3.7807201629  -1.2307640561
C   -0.6829205339  -0.3108772788   0.2544274187
C   -1.7737696788  -2.0616146769   1.2992608811
C   -2.2528512189  -0.7110881407   1.8231661430
C   -2.8784001335  -2.9520473531   0.7695868531
C   -1.4485703497   0.2851563253  -0.9488245337
C    0.7889988880   0.0585893726   0.1890694318
C   -3.8229379022  -3.4154197383   1.8734135681
C    1.6727797870  -0.5036465925  -0.7306112030
C    1.2885238373   1.0526340658   1.0263921521
C   -4.9227305485  -4.3244238547   1.3479649112
C    3.0004498146  -0.1086518560  -0.8048170691
C    2.6071708128   1.4694148858   0.9690070856
C   -0.5023144238   2.5311885435  -1.5133067123
C    3.4556136911   0.8788588525   0.0500837293
C   -1.8843188225   3.6713388137  -0.4700571491
H   -1.2084593761  -2.5930277817   2.0738230644
H   -3.2060565175  -0.4093793630   1.3709544491
H   -2.3619750972  -0.6774661580   2.9061545974
H   -2.4347553374  -3.8255148060   0.2833519551
H   -3.4417164307  -2.4128693290   0.0001645614
H   -2.4944654177  -0.0215259968  -0.9226544060
H   -1.0316826177  -0.0787622490  -1.8865475656
H   -4.2784664919  -2.5508076890   2.3662162477
H   -3.2516652987  -3.9390644145   2.6456924610
H    0.6359795255   1.5261720648   1.7455122385
H   -4.5093132297  -5.2164277814   0.8733600271
H   -5.5823625172  -4.6555581659   2.1510257784
H   -5.5399048488  -3.8135954849   0.6063875101
H    3.6652239125  -0.5670771038  -1.5237227331
H    2.9585961270   2.2467094800   1.6328683639
H    0.3161087057   2.1703110835  -2.1167577612
H   -2.4032597781   4.5216122791  -0.0552676477
*