! 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
O   -3.7849974914   1.0148447066  -0.5406090382
O    1.9852768933  -1.9836013261   0.1452314219
N    0.7350835776  -0.0915055553  -0.0735493064
C   -5.1919778401   0.7597899287  -0.6073201037
C   -2.9015756177  -0.0002294469  -0.5127143631
C   -0.5583917366  -0.5818562987  -0.2774833335
C    3.0939831444   0.1175577973   0.2323658653
C   -1.5752286369   0.3685460285  -0.3055754837
C    4.0149852730  -0.0739878492   1.2721163433
C   -5.7228531162   0.2998770791   0.7389359777
C   -5.8317307555   2.0568023224  -1.0579568341
C    1.8974583595  -0.7697879866   0.1021698141
C   -3.2190714460  -1.3459801600  -0.6890249451
C   -0.8701606828  -1.9315727023  -0.4566589105
C    3.3068468095   1.1055296936  -0.7263079613
C   -2.1950634771  -2.2810978375  -0.6588234123
C    5.1278921745   0.7613722431   1.3148889239
C    3.8303562815  -1.1156273547   2.3365942464
C    4.4323101671   1.9129871731  -0.6742610579
C    5.3432570030   1.7404156336   0.3552798579
H   -5.3907314526  -0.0040752264  -1.3668128459
H   -1.3422683529   1.4188123337  -0.1682499214
H    0.7989629552   0.9131227339  -0.0045938909
H   -6.7938361353   0.1064446568   0.6689313390
H   -5.2494592338  -0.6197326885   1.0849869147
H   -5.5691759938   1.0668039376   1.5003008501
H   -5.4512591316   2.3716576756  -2.0303511968
H   -5.6535981861   2.8599943969  -0.3406339085
H   -6.9096890578   1.9254687970  -1.1516043814
H   -4.2335720901  -1.6816710732  -0.8507670926
H   -0.1124105309  -2.6959646686  -0.4413507065
H    2.6008325927   1.2349469040  -1.5379850710
H   -2.4411927066  -3.3260136241  -0.7973452853
H    5.8423199608   0.6429557541   2.1206534579
H    3.9879426521  -2.1212343386   1.9500451506
H    4.5397134996  -0.9603949886   3.1471067058
H    2.8302653726  -1.0908040626   2.7691207546
H    4.5931421606   2.6681087192  -1.4321233006
H    6.2231689629   2.3677450802   0.4166759078
*