! 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   -3.8831290288   0.3821475449  -0.3114788414
O    2.4265698166  -2.5643369808   0.5280908352
N    0.4991009868  -1.5956595147  -0.0798563544
C   -4.4669598037  -0.5772211599   0.5770465861
C   -2.5758573627   0.3430428668  -0.6207498721
C   -0.3445344147  -0.5787876633  -0.5599831623
C    2.4485642052  -0.2033717858   0.4118377657
C   -1.6770146814  -0.6086050176  -0.1475133370
C    3.6319405064   0.0924264692  -0.2741091054
C   -4.1820127150  -0.2178252649   2.0234762901
C   -5.9506801905  -0.5816320936   0.2741148194
C    1.8072681218  -1.5435168528   0.2744877844
C   -2.1240106484   1.3427033310  -1.4856914780
C    0.0978485838   0.3924370092  -1.4471147402
C    1.8959771212   0.7114023970   1.3030138526
C   -0.8016693984   1.3549031657  -1.8858039282
C    4.2224876956   1.3323440123  -0.0439121698
C    4.2527745866  -0.8584265232  -1.2555188864
C    2.5111217737   1.9312393476   1.5324256209
C    3.6775721463   2.2421654231   0.8501358705
H   -4.0669809619  -1.5727067586   0.3535407305
H   -1.9822916567  -1.3802793547   0.5466262431
H    0.0780898612  -2.5108479168   0.0198490827
H   -4.6248684710   0.7460995300   2.2804569249
H   -4.6135154585  -0.9711740583   2.6837870722
H   -3.1150039055  -0.1680104166   2.2437817878
H   -6.1433626739  -0.8440888883  -0.7667342406
H   -6.4024286431   0.3918309329   0.4743075051
H   -6.4555103464  -1.3184840494   0.8995040560
H   -2.8180347140   2.0906582527  -1.8475483736
H    1.1165748340   0.4051762656  -1.8065069089
H    0.9813811779   0.4684192978   1.8300070683
H   -0.4631069196   2.1202557483  -2.5720232648
H    5.1299443555   1.5909767343  -0.5761425519
H    4.7099243582  -1.7142434183  -0.7598590456
H    3.5247464340  -1.2508726025  -1.9671895801
H    5.0306949474  -0.3577797557  -1.8293972616
H    2.0791949143   2.6336426285   2.2329528114
H    4.1651327648   3.1950891915   1.0098938110
*