! 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  -4.8776198978   1.6602842067  -0.0448901314
F   -1.2260509484  -3.1181398599  -0.6531481549
F   -0.6429224456  -2.4376130767   1.3025305910
F   -2.6967173350  -2.9190633078   0.8980701760
O    1.7570628579   1.7548233709   0.6029170198
N    2.6711360094  -1.0300213844  -0.4429666552
N    0.4450124034  -0.7649497464  -0.8073985144
N    4.8481724020  -1.3595860390  -0.5447600378
C    1.4470249236  -0.4586984992  -0.1031847161
C    1.4344940929   0.4786842196   1.0790168181
C    1.5624643703   2.7633136635   1.5764100935
C   -0.7988423957  -0.1852352327  -0.5803523177
C    1.7595889065   4.1211477676   0.9402038147
C   -1.8517013865  -0.9330618548  -0.0416031516
C   -1.0370882259   1.1336819781  -0.9602328230
C   -3.1054100340  -0.3617062698   0.1264133906
C    2.8723575732  -2.0265318043  -1.3754846424
C    3.1541959421   4.3442910746   0.3759021530
C    3.9085204226  -0.6682553715   0.0178926125
C   -1.6073575271  -2.3513387602   0.3736180745
C   -2.2875502432   1.7028668975  -0.8040325601
C   -3.3133103392   0.9518758518  -0.2554853365
C    4.2133333216  -2.2164009115  -1.4122117690
H    2.1270793697   0.1335917725   1.8564652732
H    0.4337892479   0.4549294300   1.5274921937
H    2.2632529842   2.6258626840   2.4120315896
H    0.5485587841   2.6913549828   1.9929130450
H    1.0077247441   4.2656281440   0.1589970222
H    1.5482316867   4.8683109966   1.7094697787
H   -0.2367370860   1.7143391042  -1.3975810260
H   -3.9201643082  -0.9282590458   0.5545998264
H    2.0586092190  -2.5009150108  -1.8950020198
H    3.2534547222   5.3545372573  -0.0231969420
H    3.9187819494   4.2207787384   1.1457424558
H    3.3830732992   3.6502990402  -0.4330292814
H    4.0576572822   0.1130028725   0.7457373349
H   -2.4533101645   2.7279776843  -1.1063803598
H    4.7628406371  -2.9244943728  -2.0122215888
*