! 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 "WATER"
end
*xyz 0 1
F    0.4743293440   1.6078292657   2.1019386748
F    5.4306415323  -0.4407913001  -0.8065669480
O   -0.2881603567  -0.9416196103   1.6394496647
N   -2.1227032229  -1.6652313251  -0.5343524868
N   -2.7292763008  -1.7146340331   0.6565270192
N   -4.2433042646  -1.8235707972  -0.9853582546
C   -0.0864819407  -0.4904977239   0.3233023164
C   -0.6849921218  -1.5209967632  -0.6574770622
C    1.4120515221  -0.4627593840   0.0494209858
C   -0.6526633686   0.9161569472   0.1477114014
C    2.3252668743  -1.0241148636   0.9338194092
C    1.8863139174   0.1072686873  -1.1297701199
C   -0.3460394318   1.9004798779   1.0834930618
C   -1.4413821526   1.3121775063  -0.9294432835
C    3.6852065281  -1.0173881407   0.6517439653
C    3.2383606645   0.1161113971  -1.4312798105
C   -0.8229098413   3.1928499238   1.0023161541
C   -1.9299814717   2.6072028240  -1.0409913048
C   -3.0383085291  -1.7287572667  -1.4980822857
C    4.1171707118  -0.4488474907  -0.5278958523
C   -1.6306425022   3.5466855048  -0.0683788378
C   -3.9949829477  -1.8071102996   0.3343253077
H   -0.4736525579  -1.2702057854  -1.6953337538
H   -0.2110150021  -2.4830889350  -0.4570025890
H    1.9942227508  -1.4764267994   1.8566771650
H    1.2014357195   0.5614947499  -1.8351958094
H   -1.6806987226   0.6150016289  -1.7192647614
H   -1.2322825634  -1.1569060277   1.7307754234
H    4.3937579336  -1.4503778764   1.3452884731
H    3.5984296564   0.5600947698  -2.3496370668
H   -0.5553293749   3.9128746885   1.7645845116
H   -2.5430132956   2.8749136879  -1.8903961335
H   -2.7873684984  -1.7073549030  -2.5469368406
H   -2.0113015430   4.5562550066  -0.1419041364
H   -4.7657077689  -1.8649502786   1.0861682164
*