! 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   -2.2421492624   1.1882070665  -0.4053494385
O    3.2467107528  -2.0882048242  -0.8993367404
N    1.0436405653  -2.2421587652  -0.5175593690
C   -3.5474108308   1.7245546919  -0.1681402273
C   -1.9641174964  -0.1006654766  -0.1395140994
C   -0.2514185250  -1.7998788640  -0.2009317770
C    2.2656255793  -0.2677903458   0.2495900156
C   -0.6723348541  -0.5081098564  -0.4753408998
C    2.7793335149   0.8619527039  -0.3965679915
C   -3.3719196320   3.2252092976  -0.0617850642
C   -4.5004662925   1.3392034049  -1.2851062487
C    2.2301364708  -1.5869770912  -0.4473061424
C   -2.8532285122  -1.0127961059   0.4253450422
C   -1.1379296931  -2.7176346940   0.3621394759
C    1.8501504925  -0.2012419117   1.5757903138
C   -2.4264879941  -2.3140884052   0.6580726706
C    2.8417972766   2.0510695256   0.3254679096
C    3.2332873307   0.8287185564  -1.8269692234
C    1.9418194598   0.9863503251   2.2825475308
C    2.4343374084   2.1177521659   1.6497970362
H   -3.9271678894   1.3542939180   0.7901934593
H   -0.0129225421   0.2061070371  -0.9497242673
H    1.1145763885  -3.1992639612  -0.8388791720
H   -4.3320473963   3.6975138443   0.1465376879
H   -2.6908038307   3.4891564930   0.7481496248
H   -2.9851257646   3.6490156866  -0.9903684736
H   -4.6028423091   0.2590607049  -1.3963454507
H   -4.1656896702   1.7470975332  -2.2407033006
H   -5.4941968255   1.7390329471  -1.0797554457
H   -3.8665178397  -0.7408551728   0.6845866296
H   -0.8170892639  -3.7303022625   0.5704778372
H    1.4559701938  -1.0840519969   2.0641377467
H   -3.1193321454  -3.0233789226   1.0918702409
H    3.2188512740   2.9431059928  -0.1602477923
H    2.5126306924   0.3325344317  -2.4788638194
H    3.3755838823   1.8389402510  -2.2081566581
H    4.1804227662   0.3001738285  -1.9362866829
H    1.6239397238   1.0282875069   3.3159109810
H    2.5007518317   3.0560487153   2.1854577778
*