! 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    4.0582232171  -0.3674932067   0.0182120743
O    0.3853288933   1.6027698530  -0.0268949939
N   -0.5145797295  -0.4868773974  -0.0028712946
C    1.8550770563  -0.2297969391  -0.0108478724
C    3.0221416251   0.4834376312   0.0251676640
C    0.5246262906   0.3884153083  -0.0150486842
C   -1.8878604962  -0.2290845538  -0.0022466894
C    2.2322443090  -1.6150516744  -0.0424874723
C    3.3345708422   1.9300662320   0.0691730446
C    3.5777339747  -1.6332508021  -0.0237180391
C   -2.7308580554  -1.3435554023   0.0440746595
C   -2.4566461376   1.0458558310  -0.0466709795
C   -4.1061121361  -1.1916058185   0.0468438784
C   -3.8386338675   1.1805949814  -0.0431334356
C   -4.6735142043   0.0750166120   0.0035452991
H    1.5994628201  -2.4881936440  -0.0796302518
H   -0.2790222183  -1.4666226178   0.0211747475
H    2.9426629104   2.4462306610  -0.8070359207
H    2.8923292881   2.4039459798   0.9453617132
H    4.4113665920   2.0890386383   0.1040417112
H    4.3053645022  -2.4283050580  -0.0364150871
H   -2.3048455068  -2.3399814213   0.0779002986
H   -1.8416109003   1.9292737195  -0.0839370768
H   -4.7357921632  -2.0712236417   0.0835865932
H   -4.2616667625   2.1765728162  -0.0773773713
H   -5.7485559846   0.1967453293   0.0064394156
*