! 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  -4.6618269771   1.9635321821  -0.1896046955
F   -1.1280949283  -2.9405235884  -0.4470760456
F   -0.4600303664  -2.0693746177   1.4023655505
F   -2.5357564243  -2.5469882702   1.1240297924
O    2.4479750959   1.4817409051   0.7938534372
N    2.7550585928  -1.1032272867  -0.4929616272
N    0.5712878158  -0.6553754489  -0.9385742928
N    4.8456689100  -1.7966825779  -0.3454929489
C    1.5606807030  -0.4617569342  -0.1739118231
C    1.5807546487   0.4077138782   1.0554614866
C    2.3240790417   2.5408260887   1.7334032264
C   -0.6502246231  -0.0273415272  -0.7094349992
C    1.1802352287   3.4873450465   1.4125924141
C   -1.6919390602  -0.6889129282  -0.0498035993
C   -0.8751863561   1.2544525877  -1.2024001392
C   -2.9258082163  -0.0736047028   0.1100647441
C    2.9763174169  -1.9199097932  -1.5852249147
C    1.3151788677   4.1496555417   0.0506104412
C    3.9281823423  -1.0722591070   0.2135021832
C   -1.4593867069  -2.0609190130   0.5034062491
C   -2.1015526015   1.8735975102  -1.0422158060
C   -3.1206667522   1.2020998813  -0.3882787330
C    4.2609153553  -2.3291259868  -1.4725161354
H    1.9088788375  -0.1771568497   1.9246004367
H    0.5616699046   0.7406265364   1.2679551732
H    3.2713278634   3.0834666238   1.7017805712
H    2.2155950095   2.1381589591   2.7473158224
H    0.2190616268   2.9701359406   1.4870952583
H    1.1678566285   4.2494630421   2.1959981381
H   -0.0803479463   1.7680507167  -1.7256823871
H   -3.7338153917  -0.5765015113   0.6220311828
H    2.2173605209  -2.1267173972  -2.3180013290
H    2.2465726310   4.7145422681  -0.0227271970
H    1.3108012082   3.4197128300  -0.7589639215
H    0.4944493764   4.8433740817  -0.1323674216
H    4.0543078609  -0.5103234109   1.1233404463
H   -2.2553028083   2.8722604608  -1.4271547069
H    4.8033197253  -2.9821499194  -2.1367535406
*