! 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 4
end
%cpcm
    smd    true
    smdsolvent "1-OCTANOL"
end
*xyz 0 1
O   -3.7939230767   0.5367253649   0.0541568352
O   -2.4801512383  -1.2816300124  -0.0933758559
N    0.2262466003  -0.7286665910  -0.0403701954
N    0.6395164350   1.4592289123   0.0458872370
N   -1.6117989649   0.8233104035   0.0300639255
C    1.5954793467  -0.6075519545  -0.0337623439
C    1.8325696783   0.7757305125   0.0204994142
C   -0.2718088166   0.5291270711   0.0098618870
C    2.6171277455  -1.5436979206  -0.0641397178
C    3.1407095364   1.2511783474   0.0428816793
C    3.9133788015  -1.0515017788  -0.0387455325
C    4.1698585952   0.3237343482   0.0131352675
C   -2.6287030326  -0.0831892660  -0.0107529233
C   -4.9653619855  -0.2791328700   0.0209567820
H   -0.3156432887  -1.5784380757  -0.0794066878
H    2.4177240119  -2.6066269810  -0.1032718491
H    3.3446580398   2.3135166137   0.0835918668
H    4.7435342127  -1.7454586839  -0.0586179510
H    5.1958847713   0.6680016348   0.0310873033
H   -5.8040116191   0.4097848304   0.0686690111
H   -5.0068836521  -0.9537547512   0.8758818486
H   -5.0267631311  -0.8544355208  -0.9026018057
H   -1.8347077932   1.8070278414   0.1003328474
*