! 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  -0.0455476053   1.1123778395  -1.8100568834
Cl   4.4407679689  -1.1882220244  -0.1339220830
O   -2.2708143741  -0.4498389144  -0.8407763931
O   -2.0832572284  -1.9940379192   0.7351372491
N   -1.4133883929   1.5642815510   1.2031697982
N   -2.0891288164   2.4678604379   0.4914082832
N   -0.1447633363   3.3229490060   1.2001649646
C   -1.5800202636  -0.7538663970   0.3212381771
C   -1.9283728571   0.2413575611   1.4313412055
C   -0.0637153906  -0.8450184938   0.1165294849
C   -2.3811083071  -1.6712561556  -1.5510375437
C   -2.4292426081  -2.7237227427  -0.4367495126
C    0.6771620750  -0.0616299413  -0.7674757103
C    0.6477181050  -1.7292558507   0.9265229803
C    2.0596763710  -0.1695759803  -0.8530368958
C    2.0240600937  -1.8489535540   0.8687987765
C   -0.2542238246   2.0864634664   1.6160530647
C    2.7209736386  -1.0625267238  -0.0319287461
C   -1.2919061773   3.5032291908   0.5148051504
H   -1.5198118334  -0.1258708014   2.3727106092
H   -3.0113800754   0.3050202985   1.5364727053
H   -1.5244845220  -1.8231054533  -2.2154556366
H   -3.2854466549  -1.6399882333  -2.1570828006
H   -3.4236086461  -3.1491791136  -0.2965097363
H   -1.7238195945  -3.5386986839  -0.6137698474
H    0.1128414623  -2.3504983396   1.6317767103
H    2.6078972673   0.4454321838  -1.5530667450
H    2.5375060864  -2.5461377265   1.5158850304
H    0.4546879168   1.5414893356   2.2197483737
H   -1.5481453899   4.4302191551   0.0265380766
*