! 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   -2.6411223870   1.0897373698   0.0029471360
N    0.2323754571  -1.1396559516  -0.0027797576
N    0.1876098950   1.0843184894   0.0008368022
C    1.5415086866  -0.7470169762  -0.0017808071
C    1.4913999104   0.6577678913   0.0004389485
C   -0.5259490386  -0.0104105536  -0.0010145339
C   -1.9644253981  -0.0756864229  -0.0004855064
C    2.7358920019  -1.4561252177  -0.0021800349
C    2.6771479981   1.3921952676   0.0022284225
C    3.9003339352  -0.7078718248  -0.0002756896
C   -2.8346283498  -1.1211762064  -0.0025859499
C    3.8718417415   0.6949528036   0.0018911058
C   -4.1364127453  -0.5489137682  -0.0001129619
C   -3.9534322541   0.7930732149   0.0030552484
H   -0.1030122945  -2.0904707966  -0.0036659956
H    2.7596657952  -2.5380921954  -0.0037550950
H    2.6583066385   2.4746885214   0.0041139334
H   -2.5879393867  -2.1715641497  -0.0057860855
H    4.8072014797   1.2396064646   0.0039244306
H   -5.0799541258  -1.0700890079  -0.0011825600
H   -4.6385170156   1.6260364274   0.0054569727
H    4.8552829896  -1.2173010044   0.0000348340
*