! 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    3.7149961585   2.1426495437  -1.8168755272
F   -2.9990577831  -2.2820079864   1.6193609056
F   -4.7879044634  -1.9488104244   0.4125331676
O   -2.0968738769   0.3531742174   2.8016665035
N   -0.0957047610   0.9584459855   1.9984070533
N   -2.3769689368   0.3639569059  -1.6580386880
N   -3.2854401622  -0.4393374486  -1.1160571250
C    3.4955083704  -0.6802003602  -0.8402732909
C    2.6079305856  -1.8191905357  -0.3101888693
C    1.7817853610  -1.2513249841   0.8513792333
C    2.6508875469   0.5233061360  -0.4810165573
C    1.6872661523   0.2142812322   0.4812979067
C    4.8166979459  -0.6145641503  -0.0670357326
C    3.7704927808  -0.8508284311  -2.3312595639
C    0.4876224496  -2.0286749761   1.0471905201
C    0.8712875648   1.2180022492   0.9942061306
C    2.7781494170   1.8290963044  -0.9068901054
C    1.0270059038   2.5257655640   0.5426052204
C    1.9744968091   2.8413100260  -0.4161530966
C   -1.3722137827   0.5601256187   1.8301925595
C   -1.8998506675   0.3571652442   0.4733406819
C   -3.0149498765  -0.4547633636   0.1696964830
C   -1.5236077568   0.8617667080  -0.7582529816
C   -3.8057462005  -1.3106409064   1.0992514441
C   -2.4307704055   0.6794576916  -3.0670703005
H    3.1893939782  -2.6959225914  -0.0197094665
H    1.9203858483  -2.1347226974  -1.1021022097
H    2.3620847388  -1.3158772006   1.7798215895
H    5.4026725631   0.2604624929  -0.3531045393
H    4.6547704155  -0.5664390883   1.0115579795
H    5.4219825743  -1.4999373250  -0.2721966329
H    2.8574028326  -0.7550401380  -2.9210717868
H    4.4959786479  -0.1307889430  -2.7085247172
H    4.1785407177  -1.8464616307  -2.5167044751
H   -0.0308725054  -1.7694755058   1.9673624441
H    0.7150684052  -3.0947940445   1.1038496691
H   -0.1957819460  -1.8845542139   0.2100527329
H    0.3895983480   3.3051685272   0.9388859155
H    2.0913490139   3.8570211137  -0.7698225123
H    0.1899151941   1.0903835475   2.9599866228
H   -0.7470546286   1.5446676019  -1.0553861151
H   -4.2606495462  -0.7646074692   1.9225003394
H   -3.2142172065   1.4063388460  -3.2675274938
H   -1.4758582709   1.0916895486  -3.3754204567
H   -2.6247697757  -0.2241362258  -3.6359665456
*