! 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  -4.7588636661   1.7203888009  -0.3165484312
F    0.1877019957  -1.2126146714   1.6577517114
F   -1.8372706003  -1.8239603072   2.0170951511
F   -0.7267845060  -2.6897123000   0.3952658739
O    0.9277399464   1.6609929126   0.3254506503
N    2.7943444326  -1.0767600886  -1.1385526418
N    0.5712160220  -0.6431589600  -1.1889311865
N    3.9021074351  -2.7458655800  -2.0572808435
C    1.7002212500  -0.2826774037  -0.7698358060
C    2.0583709919   0.8936804374   0.1004028528
C    1.1796684982   2.9249343810   0.9077166196
C   -0.6489638629  -0.0403475593  -0.9302060503
C    1.5403362778   2.8698998396   2.3820293149
C   -1.4554129534  -0.4701672251   0.1291493984
C   -1.1581241996   0.9051802130  -1.8173711189
C   -2.7173137441   0.0787691673   0.3190973254
C    4.1224401513  -0.9016600849  -0.8020588955
C    0.4753462393   2.2063855891   3.2405262052
C    2.7319810161  -2.2123360256  -1.8984427821
C   -0.9619153173  -1.5437483913   1.0472529399
C   -2.4135599453   1.4490675074  -1.6342017725
C   -3.1844019916   1.0389557833  -0.5574703032
C    4.7797653741  -1.9378030459  -1.3773945457
H    2.8427336982   1.4704133508  -0.4122097738
H    2.5104758867   0.5085821177   1.0255097015
H    0.2565872729   3.4937560873   0.7752659888
H    1.9660027226   3.4495220669   0.3479083644
H    2.5050847289   2.3736215071   2.5245952600
H    1.6903778306   3.9027949684   2.7089381483
H   -0.5551027267   1.2197862435  -2.6586071543
H   -3.3413567807  -0.2393722062   1.1422572917
H    4.4818304135  -0.0851516826  -0.2002576761
H    0.7573812018   2.2178582763   4.2941589825
H   -0.4828716968   2.7228471454   3.1525061712
H    0.3130263673   1.1668893074   2.9566084339
H    1.8005426157  -2.5829090043  -2.2934004118
H   -2.7849167799   2.1904415844  -2.3287582773
H    5.8371555669  -2.1474424459  -1.3408555423
*