! 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   -2.5205732541  -0.5006036374   1.1409387710
O   -0.3440135472   3.1805720812  -1.2136608773
O   -1.7198216392   0.9604773422  -1.2494179052
O   -3.3719944837  -1.6481070239  -0.5727792192
N   -0.1385958589  -0.2811485528  -0.2427851526
C   -0.9875221747  -1.4639034647  -0.3879248847
C    1.2298464038  -0.4179995644   0.1407190836
C    1.6197184048  -0.1662857609   1.4575174763
C    2.1556568905  -0.8235412717  -0.8321903394
C   -0.4826175026  -2.6409550662   0.4383566083
C   -0.6083570546   0.8825146379  -0.7577156407
C   -2.4273433315  -1.1870154249   0.0166781731
C    2.9659725750  -0.3221056951   1.7870846256
C    3.4866596782  -0.9683555191  -0.4639392358
C    0.6616175495   0.2774550795   2.5218600378
C    1.7292678763  -1.1136748219  -2.2402598339
C    3.8905942896  -0.7197280014   0.8398403555
C    0.3186462288   2.0801385216  -0.6763184547
C   -3.8302075165  -0.1965461916   1.6169812725
C    0.4491309606   4.3416650493  -1.1842547084
H   -1.0280859861  -1.7658459120  -1.4386981660
H    0.5004044994  -2.9719670951   0.1070071707
H   -0.4255691766  -2.4038396679   1.5004475579
H   -1.1624838623  -3.4839053734   0.3146072508
H    3.2860654692  -0.1296069295   2.8042620520
H    4.2136626349  -1.2783463066  -1.2045190756
H    0.7409855825  -0.3643232138   3.4006319850
H    0.8942681506   1.2918033235   2.8526929798
H   -0.3740538080   0.2650978220   2.1960910659
H    2.5936336257  -1.1756348539  -2.9001087641
H    1.2057437097  -2.0701208837  -2.3123227914
H    1.0630058890  -0.3523522456  -2.6484935253
H    4.9311944633  -0.8360751313   1.1144407214
H    0.6067158825   2.2511954161   0.3717243768
H    1.2518878627   1.8633088208  -1.2178723463
H   -3.6908492256   0.3785422333   2.5281815707
H   -4.3951034310  -1.1003226610   1.8463309771
H   -4.3849628867   0.4044097381   0.8959825116
H   -0.1328801245   5.1524949800  -1.6213291710
H    1.3721739884   4.2276635292  -1.7652371090
H    0.7264024134   4.6285841777  -0.1627503492
*