! 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    0.6116725436   2.4731415382   0.2712992467
N   -1.1623912351   1.0965304173   0.0754073243
N   -1.0504261423  -1.1966034997   0.4429459664
N   -3.0351657287  -0.2360211825  -0.1721632486
C    2.4094999037   0.3227835692   0.9049714727
C    3.2309368930   0.5888690187  -0.3638530017
C    0.9394049424   0.1482178554   0.6509485018
C    3.2986814012  -0.5815504430  -1.3397606401
C    0.2677765874  -1.0520163131   0.7048567789
C    0.1862284620   1.3227425922   0.3306492621
C   -1.7349295320  -0.1265220320   0.1222627018
C    4.1885935001  -1.7235455534  -0.8685211730
C    0.9643451681  -2.3279663440   1.0703897561
C   -3.9229021144   0.8591474725  -0.5043859621
C   -5.2870487498   0.3284719399  -0.8923626359
H    2.5557345488   1.1656772519   1.5863720362
H    2.8111530918  -0.5468640380   1.4281956394
H    2.8180961873   1.4637209826  -0.8705413117
H    4.2480567482   0.8670203201  -0.0682702668
H    2.2885965126  -0.9515471477  -1.5430210549
H    3.6767077204  -0.2190264554  -2.2997045416
H   -1.7117152528   1.9156065205  -0.1526020764
H    4.1689762817  -2.5586982044  -1.5707756356
H    3.8865209735  -2.1147541019   0.1046426926
H    5.2271427097  -1.3987700918  -0.7757913126
H    1.4706055268  -2.2521663962   2.0337325601
H    1.7207336901  -2.5953951402   0.3314098579
H    0.2487807637  -3.1454475237   1.1267862012
H   -3.4201111848  -1.1628298540  -0.0783277348
H   -4.0242263469   1.5443365952   0.3433615016
H   -3.5119815282   1.4341534659  -1.3394039436
H   -5.2277288320  -0.3173156838  -1.7689392478
H   -5.7428505146  -0.2358968840  -0.0777300271
H   -5.9501924344   1.1584084450  -1.1318734236
*