! 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
Cl  -5.2896677567   1.1469764955   0.6920462105
F   -0.1322298309  -0.5806468219  -1.9541659000
F   -0.9289084319  -2.4889347457  -1.3617198107
F   -2.0863709588  -1.1836554725  -2.6116382839
O    2.2512268985   1.4138574959  -0.3142025383
N    2.4417347049  -1.0924699021   0.9018014190
N    0.1744370540  -1.0563246967   0.8836283100
N    4.5774498680  -1.5472686499   1.2180723216
C    1.2424462252  -0.3814320813   0.8377481914
C    1.3607493680   1.1134990453   0.7232953558
C    2.5284237839   2.7995841524  -0.4022060584
C   -1.0826344684  -0.4668860778   0.8141744128
C    3.5772166390   3.0362374288  -1.4667153750
C   -1.8502517757  -0.5699035056  -0.3514888291
C   -1.6382538521   0.1500207298   1.9312569000
C   -3.1430842599  -0.0679358406  -0.3885431585
C    2.5793438024  -2.4575201461   0.7445588692
C    3.8749819909   4.5201723452  -1.6193062222
C    3.6879322400  -0.6043726508   1.1851340286
C   -1.2534593181  -1.2077393519  -1.5680478130
C   -2.9270785640   0.6519390974   1.8993346529
C   -3.6729251963   0.5350561835   0.7388301673
C    3.8952432914  -2.7092548270   0.9354341304
H    1.7036412517   1.5121469684   1.6897710429
H    0.3695885486   1.5440327906   0.5443984309
H    2.8855314339   3.1751849065   0.5666552387
H    1.6109413485   3.3540698650  -0.6412731437
H    4.4914793924   2.4992378784  -1.2019527200
H    3.2308932122   2.6289949500  -2.4199119409
H   -1.0575245677   0.2265648811   2.8408579872
H   -3.7407233082  -0.1400069356  -1.2861135403
H    1.7493093662  -3.0958871823   0.4997158174
H    4.6443730206   4.6902998829  -2.3719555567
H    2.9870576578   5.0753563037  -1.9259097044
H    4.2300358361   4.9551714069  -0.6835131036
H    3.8844204146   0.4357913082   1.3822422244
H   -3.3400463503   1.1285740217   2.7776093488
H    4.3960329894  -3.6622274461   0.8817773190
*