! 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    2.4415831665   2.8531972006  -1.1109454253
F    2.7677599368   1.3713332684  -2.6813827017
O    0.5024817365   0.5999719816  -0.8863458164
N    0.5831457597  -1.4187601014   0.1431304497
N    4.5630444898  -0.3276611664   0.8711970417
N    4.6738854880   0.6709157528   0.0049580484
C   -3.2368713481   0.8232904753   0.6900113094
C   -1.9173265230   0.2154413030   1.2213414705
C   -4.0315283124  -0.4879728720   0.8751661224
C   -2.3672538160  -0.2593549065   2.6248194075
C   -3.8211350857  -0.7376168987   2.3885984735
C   -1.8229181284  -1.0289529666   0.3772066626
C   -3.1353811838  -1.4677359817   0.1687443944
C   -3.1977080123   1.4300451737  -0.7099926645
C   -0.7600084748  -1.7845534169  -0.0830675589
C   -3.4077164221  -2.6506473335  -0.4874008061
C   -2.3658135296   2.7080031698  -0.7131310303
C   -4.6055048893   1.7164269456  -1.2206656250
C   -1.0300896358  -2.9756016078  -0.7650610171
C   -2.3330416223  -3.4042774532  -0.9594836560
C    1.1332409759  -0.2545960877  -0.2873922750
C    2.5598373738  -0.0968890462   0.0280891531
C    3.4740971379   0.8312092535  -0.5136638984
C    3.3216025931  -0.8203428519   0.9241327208
C    3.2989055317   1.8881648257  -1.5401713484
C    5.6971955829  -0.7635892589   1.6579014815
H   -3.6089059174   1.5898357654   1.3821458821
H   -1.0457142336   0.8640996048   1.2317237760
H   -5.0752703707  -0.4939686136   0.5654244258
H   -2.3351585205   0.5744763418   3.3279098279
H   -1.7186247961  -1.0410397661   3.0210940110
H   -3.9766158415  -1.7828104367   2.6570953372
H   -4.5311223685  -0.1451067232   2.9678868100
H   -2.7234108588   0.7196273186  -1.3948948460
H   -4.4249290065  -2.9922771586  -0.6330385257
H   -1.3343516020   2.5227526827  -0.4148044665
H   -2.3408801472   3.1561855847  -1.7083757268
H   -2.7850384892   3.4520692460  -0.0307712098
H   -5.1938342320   0.8058341761  -1.3410811952
H   -5.1492461132   2.3726364117  -0.5361090433
H   -4.5762504655   2.2116957806  -2.1931819216
H   -0.2067903137  -3.5674180253  -1.1461289953
H   -2.5122756131  -4.3301788301  -1.4901621791
H    1.2089320397  -2.1668750569   0.4000745280
H    3.0666103979  -1.6254483768   1.5953989948
H    4.2507901932   2.3600877064  -1.7850134743
H    5.5553296102  -0.5110700278   2.7061751235
H    5.8259120321  -1.8383272803   1.5612501472
H    6.5869446854  -0.2655783025   1.2880862037
*