! 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   -0.4136042766  -0.2878412479   0.7902040582
O   -1.5633610098  -0.2036723187  -1.1543429480
O    6.1647098310   1.5535983499   0.7193995621
O    6.0163278148  -0.2848121384  -0.5638555042
N   -2.5731335241   0.0682482054   0.8866423111
N    4.1744945335   0.6820491070   0.4010999257
C   -3.9308001322   0.2086447574   0.5794691381
C   -5.8459048955   0.1198391443  -0.8966418195
C   -4.4750391262  -0.0037470863  -0.6876252518
C    3.1328395893  -0.1590092058   0.0142087386
C    0.7773945587  -0.6243769413   0.1878918430
C   -4.7710448150   0.5544634996   1.6369110333
C   -6.6748626101   0.4624033544   0.1688107357
C    1.8637509046   0.1706546246   0.4959595213
C   -6.1335666911   0.6776590931   1.4259012638
C   -6.4305351610  -0.1304401825  -2.2556405614
C    3.2792809205  -1.2812473145  -0.8006749136
C    0.9059122574  -1.7520042823  -0.6082300484
C    2.1660083263  -2.0550925518  -1.0958487265
C   -1.5369869130  -0.1479862593   0.0485171937
C    5.4983699261   0.5678479701   0.1197071322
C    7.5768778756   1.5808447848   0.5322752755
H   -3.8437352849  -0.2731517578  -1.5203238983
H   -4.3592753325   0.7245862914   2.6248306277
H   -7.7430692071   0.5578931659   0.0150150670
H    1.7256479798   1.0397068558   1.1288591736
H   -6.7763734841   0.9441491427   2.2550173406
H   -2.3430001808   0.1249459314   1.8682870118
H    4.2392766727  -1.5652290146  -1.1984116604
H    0.0616955303  -2.3886877708  -0.8322664862
H   -5.6590950171  -0.3113880034  -3.0031641640
H   -7.0902443626  -1.0002317668  -2.2451088253
H   -7.0285379664   0.7173643716  -2.5934526184
H    2.2913285314  -2.9284802453  -1.7221748581
H    3.9154097769   1.4536162382   0.9985956313
H    7.9322243474   2.4430291077   1.0903665734
H    7.8433321258   1.7026303959  -0.5177856203
H    8.0535348400   0.6824456359   0.9252333301
*