! 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   -0.4357666347  -0.8363196231  -0.7228439027
O   -1.4549921917   0.1283890024   1.0440363675
O    5.9916767192   1.5214471618  -1.0762892113
O    5.9806942186  -0.2089201139   0.3563794818
N   -2.5992733057  -0.4790225074  -0.8481237856
N    4.0500229251   0.6463437550  -0.5342376124
C   -3.9182027854  -0.1001951425  -0.5722457301
C   -5.7144976844   0.6011776962   0.8895868950
C   -4.3786449324   0.2616453421   0.6939134761
C    3.0698285056  -0.1771326170   0.0183385622
C    0.7735996464  -0.8841795126  -0.0623054212
C   -4.8091352711  -0.1244612659  -1.6439776220
C   -6.5944458720   0.5739992380  -0.1896434941
C    1.7997411426  -0.1063794836  -0.5590321616
C   -6.1379629964   0.2101100400  -1.4462283558
C   -6.2026097668   0.9954550379   2.2524304066
C    3.2759661973  -1.0246248022   1.1062857164
C    0.9622863513  -1.7410174821   1.0092487915
C    2.2223751264  -1.7929389845   1.5807794023
C   -1.5102456651  -0.3459300068  -0.0620723005
C    5.3943183323   0.5785608791  -0.3500315290
C    7.4135879915   1.5807585268  -1.0050543627
H   -3.7093230893   0.2765790245   1.5401958604
H   -4.4637174758  -0.4059661369  -2.6318133324
H   -7.6363015699   0.8342078256  -0.0463029425
H    1.6165066938   0.5454838858  -1.4052388072
H   -6.8208760866   0.1859394702  -2.2856556659
H   -2.4410024799  -0.8659928022  -1.7676775925
H    4.2370764657  -1.0962019621   1.5878953964
H    0.1568872049  -2.3584560801   1.3836267726
H   -5.4298890157   0.8745544680   3.0106408662
H   -6.5210317758   2.0395640916   2.2701176044
H   -7.0625229650   0.3960494595   2.5554181303
H    2.3947299215  -2.4496964752   2.4231480001
H    3.7264905801   1.3278380664  -1.2056829948
H    7.8747390784   0.6648719365  -1.3742865721
H    7.7600837766   1.7761739848   0.0095827985
H    7.7077649977   2.4078813560  -1.6448694562
*