! 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    2.1516336801  -2.6029490379   0.7077590594
O    1.8452010897  -1.8580456678  -1.3765063859
O    0.0319335216   1.9631177165  -1.3664061211
O    2.6310568206   2.5415168571  -0.9128583371
N    0.7844383683  -0.9157721278   0.4449622244
N    0.0656212163   0.0509217133  -0.1931288753
C    0.8790692214  -1.0210718904   1.8869788214
C   -1.3593851624  -0.0292364731  -0.0964383266
C    1.5607810515  -2.3800496238   1.9977719409
C   -2.0545326196  -0.9667633136  -0.8653228680
C   -2.0154093233   0.8255085203   0.7974871241
C    1.5996785183  -1.7986126014  -0.2005893859
C    0.6773201370   1.1447196563  -0.7517029531
C   -3.4355158864  -1.0454949614  -0.7114422265
C   -3.3975854448   0.7138811624   0.9179156002
C   -1.3654641089  -1.8784224418  -1.8329283146
C   -1.2945881066   1.8699048219   1.5966212506
C   -4.1032824070  -0.2154211395   0.1730792040
C    2.1863325480   1.2684642462  -0.5703781428
C    2.4006296563   3.5154202645   0.0797817228
H   -0.1029697049  -1.0201805687   2.3589432238
H    1.4776468086  -0.2097953979   2.3100674162
H    2.3458841285  -2.4057437310   2.7486464883
H    0.8457692397  -3.1790564377   2.1950983770
H   -3.9926023108  -1.7636569541  -1.3004729399
H   -3.9231970510   1.3642387777   1.6063346210
H   -2.0819780851  -2.2812685999  -2.5478123306
H   -0.5825104015  -1.3728556383  -2.3950255440
H   -0.9091398005  -2.7315625964  -1.3270930303
H   -0.3137979781   1.5500929835   1.9480994368
H   -1.1475496006   2.7784336863   1.0093780731
H   -1.8756048034   2.1483169846   2.4750277778
H   -5.1778465949  -0.2904428167   0.2794637510
H    2.6787716134   0.5611883203  -1.2434875184
H    2.4810075293   0.9982469318   0.4535934286
H    2.8259365800   4.4533261762  -0.2759166908
H    2.8898272878   3.2539409698   1.0255769210
H    1.3373120724   3.6827724027   0.2792308285
*