! 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    1.0374838303   0.7359278493  -1.2505535711
N    0.7925771680  -2.0314291396  -0.5627774875
N    0.6420559903  -2.8570206129   0.4755221086
N   -1.1854045516  -2.8882770568  -0.8157932541
C    3.3774978048   0.8069711342  -0.4157398540
C    1.9552069899   0.1643123615  -0.3626788662
C    4.0432955753   0.2248054579   0.8394631673
C    1.6268261321   0.2652035904   1.1135895438
C    2.9160315694   0.0690777064   1.8762600121
C    2.0253531341  -1.3135300234  -0.7792532235
C    3.2491902328   2.3260725726  -0.2698601530
C    4.1509032373   0.5032859538  -1.6915200342
C    0.4636849944   0.5125940881   1.7102224241
C   -0.3060265005  -2.0570150028  -1.3215312302
C   -0.5559964477  -3.3487271508   0.2828622539
H    4.8495357185   0.8666632057   1.1976910550
H    4.4999635826  -0.7418773050   0.6155898347
H    2.9995626416   0.7952914847   2.6858570531
H    2.9413286776  -0.9177230985   2.3447783660
H    2.8004953308  -1.8493104500  -0.2359013091
H    2.2680895595  -1.3771828953  -1.8403591570
H    2.6912984774   2.6245195459   0.6213537380
H    4.2404787216   2.7753702037  -0.1890579928
H    2.7696195333   2.7866168901  -1.1366594030
H    5.1102165436   1.0248081671  -1.6836637182
H    4.3726682998  -0.5580181813  -1.8119710545
H    3.6093214252   0.8374229013  -2.5791770013
H    0.8558222597   1.6446456481  -0.9936278920
H   -0.4147293736  -1.4721116640  -2.2204412662
H   -0.9905962142  -4.0697916938   0.9581096592
C   -0.8699082822   0.7263601719   1.1078511392
C   -3.4319025382   1.1024481977   0.0829642199
C   -1.8493672904  -0.2533304226   1.2496934516
C   -1.2191645174   1.9167704244   0.4738940031
C   -2.4896296258   2.1099742774  -0.0468476999
C   -3.1240663086  -0.0800621037   0.7354609302
H   -1.6126831660  -1.1734914432   1.7673876744
H   -0.4998764890   2.7243268067   0.4009509878
H   -2.7392190273   3.0388439174  -0.5419312404
H   -3.8647356453  -0.8607220400   0.8446460277
Cl  -5.0227950001   1.3312427661  -0.5683022062
H    0.4706426006   0.5320374956   2.7987493955
*