! 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    0.4548888842  -0.9332971992   0.7017913894
O   -1.7446462384  -0.4263608530  -1.6692222531
O   -0.4843750191  -0.5975046019   2.6985529656
O   -0.2046716215   2.8394106477  -1.8760294224
N   -0.3729485388   1.6310980427   0.0397337285
N    1.7193932768   2.3136649930  -0.8041704151
N    3.8188641750   1.6510272453  -0.7839273803
C    0.1525737628   1.3087944252   1.3616876563
C   -0.4265071587   2.1952434424   2.4637448815
C   -1.8140232882   1.4594885461  -0.1457660073
C   -0.0190908764  -0.1768470287   1.6710624237
C    0.3046891538   2.2835069957  -0.9287728767
C   -0.2650980704   3.6757882831   2.1609281888
C   -2.1876960320   0.0662354118  -0.4926783379
C    0.3796206951  -2.3596061971   0.8568308893
C    1.0201448264  -2.9895681158  -0.3591623684
C   -2.9336547484  -0.8661882554   0.1471425639
C    0.9412432937  -4.5169341330  -0.3050940435
C    2.4831618804   3.4301976599  -1.0579657462
C    2.5850323291   1.2664212124  -0.6640285021
C   -2.9478130377  -2.0166955308  -0.6993262636
C   -2.2059724226  -1.6900462697  -1.7814535084
C    3.7703338655   3.0006551012  -1.0190225364
C   -0.4608154941  -5.0294224241  -0.4024739124
C   -1.0832383142  -5.7437668694   0.5271824788
H    1.2294606826   1.4842826090   1.3585202842
H   -1.4747720654   1.9614168362   2.6591612580
H    0.1085447061   1.9541947581   3.3835208833
H   -2.1567349149   2.1544709602  -0.9107301257
H   -2.3357067409   1.7366843049   0.7697304640
H   -0.5894016574   4.2715802302   3.0141995734
H    0.7762806521   3.9374264868   1.9610205823
H   -0.8609704296   3.9957584751   1.3045793131
H   -0.6668618669  -2.6553982847   0.9550443002
H    0.9045103394  -2.6578213438   1.7683041482
H    2.0691982076  -2.6891668294  -0.4189138773
H    0.5302582031  -2.6280337719  -1.2674514675
H   -3.4141675435  -0.7512090560   1.1057174455
H    1.4161083067  -4.8856921387   0.6085522753
H    1.5253444325  -4.9136427037  -1.1404341570
H    2.0508434728   4.4036446967  -1.2157809113
H    2.2464356259   0.2557090133  -0.5021204683
H   -3.4367185194  -2.9596618556  -0.5168432400
H   -1.9399790223  -2.2235796638  -2.6798433593
H    4.6653395128   3.5891901396  -1.1449510607
H   -0.9951242303  -4.7746739525  -1.3143532694
H   -2.1033557260  -6.0811103445   0.3922467490
H   -0.6003180904  -6.0200539835   1.4580703077
*