! 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
Cl  -4.7376049189   1.8088740721  -0.4500553598
F   -0.8420219540  -2.7737237912   0.2190594580
F   -0.0938917184  -1.4091218153   1.7009948585
F   -2.1412320977  -2.0517974079   1.7676350565
O    0.8924489926   1.4778742892   0.6482241717
N    2.7753805771  -1.1803573341  -0.9479558150
N    0.5766171146  -0.6632534924  -1.0925669566
N    4.8181648668  -2.0075007367  -1.0301110688
C    1.6842414952  -0.3894145337  -0.5663042730
C    2.0073059816   0.6789771524   0.4511076295
C    0.7396034840   1.9926164655   1.9561613554
C   -0.6391670446  -0.0377078035  -0.8719692683
C    1.7188498255   3.1031831175   2.2915802904
C   -1.5509309245  -0.5344193797   0.0662503785
C   -1.0389831590   1.0084406869  -1.7014125941
C   -2.8089588444   0.0401345569   0.1980749334
C    2.7378526812  -2.2298692482  -1.8424329815
C    1.6430099343   4.2872620979   1.3407535493
C    4.0636117343  -1.1013378002  -0.4932279033
C   -1.1618539486  -1.6883486497   0.9346977189
C   -2.2893538886   1.5792448820  -1.5750739921
C   -3.1678455169   1.0957079331  -0.6176680671
C    4.0014906143  -2.7174369925  -1.8768312806
H    2.8664199177   1.2580319527   0.0882509134
H    2.3342674025   0.1789152469   1.3737003750
H    0.8208714792   1.1850551347   2.6951252221
H   -0.2846291533   2.3698262019   2.0021924462
H    1.4959212704   3.4301195416   3.3111764988
H    2.7399670054   2.7098020756   2.3223954411
H   -0.3537822298   1.3803519741  -2.4513036522
H   -3.5123680534  -0.3304692822   0.9303158800
H    1.8363320698  -2.5187693322  -2.3526639542
H    0.6421139614   4.7237312668   1.3287137976
H    2.3388045749   5.0728055317   1.6379437378
H    1.8905189441   4.0055094132   0.3164145608
H    4.3881393896  -0.3653739307   0.2247335982
H   -2.5738012937   2.3981208459  -2.2220026691
H    4.3731775869  -3.5428184562  -2.4633123100
*