! 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   -2.6409759820   1.0898021895   0.0019099427
N    0.1875651223   1.0842095124   0.0016420421
N    0.2324074841  -1.1397714449  -0.0024473451
C    1.4913619116   0.6577158027   0.0009779388
C    1.5415334851  -0.7470722085  -0.0016380687
C   -0.5259580702  -0.0105402734  -0.0003210482
C   -1.9644384584  -0.0757176560  -0.0000743608
C    2.6770526243   1.3922314152   0.0026378334
C    2.7359794709  -1.4560822088  -0.0027324690
C    3.8717965535   0.6950778858   0.0015942120
C   -2.8347884256  -1.1210858727  -0.0016699769
C    3.9003735155  -0.7077412433  -0.0010910711
C   -4.1364924511  -0.5486379252  -0.0006818442
C   -3.9533236010   0.7933264878   0.0016379289
H    2.6581030276   2.4747209569   0.0048571995
H    2.7598614141  -2.5380439285  -0.0047679263
H   -2.5882536861  -2.1715007357  -0.0038147719
H    4.8071246862   1.2397857242   0.0034350868
H    4.8553530851  -1.2171105586  -0.0014465999
H   -5.0801011750  -1.0696845959  -0.0019132150
H   -4.6382607891   1.6264034979   0.0028222637
H   -0.1029659961  -2.0905948735  -0.0036968086
*