! 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  -4.6408067702   1.7900749830   0.9341378316
F   -2.3396348500  -1.9664859570  -1.7321402875
F   -0.2915187779  -1.3366952428  -1.8605251863
F   -0.8844928813  -2.7710554666  -0.3741359387
O    0.8493167477   1.4494519022  -0.9093148654
N    2.8397635980  -1.2891193926   0.4873442610
N    0.6805584055  -0.7499756597   0.9081395143
N    4.0829972655  -2.8656730568   1.3969783254
C    1.7195371614  -0.4820254347   0.2528581606
C    1.9329320657   0.5913361862  -0.7951402307
C    0.9845738805   2.6762528370  -0.2060280255
C   -0.5452600095  -0.1097997834   0.8426232745
C    1.7905092469   3.7082774370  -0.9749932123
C   -1.5516386262  -0.5410460781  -0.0316923925
C   -0.8551789972   0.8759732027   1.7781243179
C   -2.8082956575   0.0488607668  -0.0034283540
C    4.0562431847  -1.2602916821  -0.1668347920
C    1.1652772781   4.0967981614  -2.3057957777
C    2.9244386418  -2.2861869011   1.4206836323
C   -1.2705378278  -1.6499126836  -0.9962765136
C   -2.1036409276   1.4664441076   1.8065318808
C   -3.0736001637   1.0546679735   0.9072062180
C    4.7989312439  -2.2370517722   0.4083089418
H    2.1023587874   0.0965658813  -1.7573151987
H    2.8619184616   1.1226123250  -0.5564901041
H    1.4295745673   2.5117539365   0.7827806498
H   -0.0306084972   3.0440530416  -0.0415801969
H    1.8793915424   4.5903948731  -0.3346465141
H    2.8133648609   3.3501244992  -1.1307486326
H   -0.1011268744   1.1847943296   2.4897535597
H   -3.5845087721  -0.2707864133  -0.6845631864
H    4.2860035857  -0.5808100821  -0.9690078339
H    0.1569377986   4.4934368343  -2.1688912253
H    1.7543211066   4.8674140311  -2.8045045108
H    1.0968924642   3.2476770261  -2.9867843603
H    2.1047957360  -2.5228440909   2.0788400026
H   -2.3152715878   2.2410124982   2.5312972323
H    5.8097096340  -2.5240919665   0.1651086538
*