! 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  -0.3788172978   3.0109748736   1.8442689700
Cl   1.3371499331   5.0421855577   0.1564362795
F    5.2543364014  -3.0890200951   0.2629574574
F   -3.9255444800  -2.9084816355   1.3045766673
F   -3.7550986459  -3.4303531624  -0.8086284742
O   -1.0658789168  -2.7735375459   0.4354780497
N    0.1591139185  -1.2666722186  -0.7365755888
N   -3.4497119144   0.8950654200  -0.6238675860
N   -4.2813406132  -0.1111736386  -0.3937196615
C    2.4601496964  -0.8369571860  -0.1327144711
C    1.4463431235  -1.7524891499  -0.4493769301
C   -2.1587097450  -0.8520956892  -0.3763160293
C    2.1880258063   0.6150808206  -0.0466448626
C   -3.5249936536  -1.1747296461  -0.2287539802
C   -0.9951626264  -1.7306693054  -0.1855488713
C   -2.1710343021   0.5058877056  -0.6303094671
C    3.7539271200  -1.3005649559   0.0871431141
C    1.7368455023  -3.1112338211  -0.5116314968
C    1.1748332621   1.0998173619   0.7776231231
C    2.9432558116   1.5233990497  -0.7833042385
C    4.0071911645  -2.6544849469   0.0296910368
C    3.0185044796  -3.5720949221  -0.2595957244
C   -4.1971232558  -2.4704926212   0.0467578742
C   -3.9529906042   2.2285209333  -0.8668861655
C    0.9068455306   2.4568678221   0.8407018705
C    2.6860642871   2.8817894550  -0.7111521263
C    1.6621419695   3.3550191689   0.0936615019
H    0.1148110818  -0.4174415946  -1.2773974811
H   -1.3743609374   1.2123083430  -0.8044152935
H    4.5499109876  -0.6091510145   0.3332707091
H    0.9679504618  -3.8196644273  -0.7812231461
H    0.5963772217   0.4225502313   1.3918718084
H    3.7319335474   1.1723275622  -1.4355949973
H   -5.2794655127  -2.3806563789  -0.0587049998
H    3.2421145954  -4.6295762124  -0.3064725796
H   -3.3729457151   2.9535056386  -0.3009160330
H   -3.8984749733   2.4733680608  -1.9258681726
H   -4.9871888242   2.2725296386  -0.5409879745
H    3.2772267574   3.5756756566  -1.2929232109
*