! 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   0.4446273918  -0.0203139690   1.9992647301
Cl  -7.5121516995  -0.9575169016   0.8067086157
O    3.1597336230  -0.0400328045   0.8911730639
O    3.5423791979   0.4552991412  -1.2375579352
O   -2.3640292610  -1.5725287623  -1.9150633840
N    3.7004644737   2.6769611654   0.5428861101
N    3.9521193922   2.8281172820   1.8445324163
N    5.7221261489   3.4572474878   0.6270999256
C    2.6098158275   0.6071389941  -0.2088445708
C    3.9744372681  -1.1135770869   0.4325368133
C    2.4660488987   2.1023307605   0.0805227889
C    4.1449661106  -0.8148551279  -1.0653081208
C    1.2558084672   0.0242227423  -0.6127353717
C    3.3513846810  -2.4635534262   0.7133258427
C    0.2489272372  -0.2870621216   0.2986822585
C    0.9720934888  -0.1933976535  -1.9590130939
C   -0.9694917905  -0.8160769108  -0.0991741726
C   -0.2385275019  -0.7063877472  -2.3864444324
C   -1.2106369385  -1.0224187580  -1.4496932972
C    4.7666755800   3.0477420660  -0.1708467634
C    5.1710495752   3.2998928764   1.8474768555
C   -3.5400861363  -1.3980467162  -1.2364261651
C   -3.9641344961  -0.1426883395  -0.8202614267
C   -4.3349435133  -2.5148089252  -1.0324906210
C   -5.1879018020  -0.0091617093  -0.1854405261
C   -5.5661798318  -2.3799344725  -0.4096966684
C   -5.9810061189  -1.1285189425   0.0159090218
H    4.9299102557  -1.0372674302   0.9576481069
H    1.7102574969   2.2784494351   0.8425095179
H    2.1446008374   2.6133423748  -0.8267999985
H    5.1889717183  -0.7477442050  -1.3704521814
H    3.6538909390  -1.5721439058  -1.6869880218
H    4.0190558623  -3.2569564736   0.3726828089
H    2.3967510321  -2.5864022162   0.1992061854
H    3.1870112390  -2.6074150594   1.7813798147
H    1.7175437339   0.0500035435  -2.7036090955
H   -1.7126925714  -1.0648932494   0.6467840156
H   -0.4263155568  -0.8628947836  -3.4405271978
H    4.7960585654   3.0175483589  -1.2481145533
H    5.6826713157   3.5482533114   2.7643374380
H   -3.3547682258   0.7361364492  -0.9889132122
H   -3.9991254808  -3.4892513892  -1.3629143058
H   -5.5184715825   0.9678421678   0.1396459585
H   -6.1874334734  -3.2511411897  -0.2530319143
*