! 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   -3.7940091035   0.5299106390   0.0008907092
O   -2.4630663446  -1.2796079186  -0.0027106799
N    0.2230655091  -0.7182091106  -0.0023604746
N    0.6438400224   1.4697740538   0.0006674719
N   -1.6111539638   0.8353514381  -0.0030082826
C    1.5917962679  -0.6024596805  -0.0007319821
C    1.8346611854   0.7805854853   0.0007105454
C   -0.2706416623   0.5419315188  -0.0015804932
C    2.6077690944  -1.5450123168  -0.0002689550
C    3.1455860068   1.2492697991   0.0012668608
C    3.9065706418  -1.0593176365   0.0008134941
C    4.1700282475   0.3157240737   0.0012038892
C   -2.6220207174  -0.0790064862  -0.0012651598
C   -4.9530376878  -0.3050778528   0.0024961212
H   -0.3250363507  -1.5649864325  -0.0030323724
H    2.4015691891  -2.6073926730  -0.0002052195
H    3.3565312350   2.3111065456   0.0011153702
H    4.7327619184  -1.7583387530   0.0017731027
H    5.1978852125   0.6549934614   0.0014849285
H   -4.9927080899  -0.9313978920   0.8933047967
H   -4.9945756988  -0.9317227713  -0.8879352902
H   -5.8029459939   0.3715026498   0.0031207150
H   -1.8396434553   1.8203616178   0.0005519432
*