! 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  -4.6689930832   0.2495730258   1.3912158176
O    0.7185000290  -0.7817085499  -0.6341455434
O    4.2405304414   2.2087350400  -0.9105894972
O    4.2660496120   0.8274438635   0.8363203071
C    3.0372918592  -1.2830806886  -0.6492086799
C    1.7912995141  -1.1798662892   0.2056045508
C    3.4730989705   0.0237854009  -1.2944331850
C   -0.4971773881  -0.5642931068  -0.1010778085
C   -1.4929712446  -0.1628130978  -1.0067363425
C   -0.7968690757  -0.7160066002   1.2477618663
C   -2.7689509690   0.0805512937  -0.5248838362
C   -1.1720243848   0.0016977910  -2.4607625643
C   -2.0817069296  -0.4650187369   1.7146740204
C    4.0219355950   1.0339179168  -0.3270022262
C   -3.0587899890  -0.0678077801   0.8252409735
H    2.8672542250  -2.0218901714  -1.4353175390
H    3.8383374002  -1.6827378957  -0.0247842268
H    1.9299860018  -0.4596539283   1.0177200581
H    1.5761389557  -2.1532802052   0.6594226290
H    2.6579411403   0.4800567213  -1.8610141030
H    4.2595619199  -0.1730201664  -2.0297748634
H   -0.0464883215  -1.0306015590   1.9601018071
H   -3.5439765493   0.3914315806  -1.2140618362
H   -2.0647165745   0.2596343122  -3.0285419359
H   -0.4365405792   0.7919830495  -2.6243878245
H   -0.7583205301  -0.9117274059  -2.8910960282
H   -2.3008376048  -0.5845759942   2.7670079181
H    4.6158412297   2.8324648355  -0.2709183650
*