Accuracy

fluorodinitrophenylmethane   1526 Fluorodinitrophenylmethane

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    #  Species Formula
  1516 Nitrosyl fluoride (Geo)NOF
  1517 Nitrosyl fluorideNOF
  1518 Fluorine dioxideO2F
  1519 Fluorodihydroxyborane (Geo)H2BO2F
  1520 FluorodihydroxyboraneH2BO2F
  1521 p-Fluorobenzoic acidC7H5O2F
  1522 Fluorine nitriteNO2F
  1523 B3O3H2FH2B3O3F
  1524 Fluorine nitrateNO3F
  1525 FluorodinitromethaneHCN2O4F
  1526 Fluorodinitrophenylmethane C7H5N2O4F
  1527 Li(+)(H2O)5.FH10LiO5F
  1528 Li(+)(H2O)5.F (Geo)H10LiO5F
  1529 Fluorine (Geo)F2
  1530 FluorineF2
  1531 Hydrogen fluoride dimer (Geo)H2F2
  1532 Lithium fluoride dimer (Geo)Li2F2
  1533 Lithium fluoride, dimerLi2F2
  1534 Beryllium difluoride (Geo)BeF2
  1535 Beryllium difluorideBeF2
  1536 BHF2HBF2


ΔHf: -16.9 kcal/mol,     REF: NIST Chemistry WebBook, NIST Standard Reference Database, No. 69; W. G. Mallard, P. J. Linstrom, Eds., National Institute of Standards and Technology, Gaithersberg, http://webbook.nist.gov/chemistry.
  
 PM7
Fluorodinitrophenylmethane
 H=-16.9 HR=NIST
  C    -0.00641243 +1   0.01115305 +1   0.00479286 +1
  C     1.38837955 +1  -0.05046978 +1   0.09102086 +1
  C     2.13774376 +1   1.12242632 +1   0.08573266 +1
  C     1.49924683 +1   2.35810346 +1  -0.00593380 +1
  C     0.10928671 +1   2.41897285 +1  -0.09326701 +1
  C    -0.64742871 +1   1.24912279 +1  -0.08857285 +1
  C    -0.79771989 +1  -1.25897605 +1   0.01620957 +1
  N    -0.40762566 +1  -2.18187300 +1  -1.15770709 +1
  F    -2.11443862 +1  -1.06874961 +1  -0.10353712 +1
  N    -0.61269905 +1  -2.04373697 +1   1.33390366 +1
  O    -1.62697810 +1  -2.33759755 +1   1.92220773 +1
  O     0.52358183 +1  -2.28546800 +1   1.66993186 +1
  O     0.71144885 +1  -2.64243867 +1  -1.13767949 +1
  O    -1.25260961 +1  -2.35002501 +1  -2.00445328 +1
  H     1.90055657 +1  -1.01743503 +1   0.16564763 +1
  H     3.22463626 +1   1.07223260 +1   0.15434220 +1
  H     2.08634818 +1   3.27703292 +1  -0.00926601 +1
  H    -0.39023327 +1   3.38465907 +1  -0.16549167 +1
  H    -1.73351864 +1   1.33058158 +1  -0.15806691 +1