PM7 Accuracy

fluorodinitrophenylmethane   1529 Fluorodinitrophenylmethane

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    #  Species Formula
  1519 Nitrosyl fluoride (Geo)NOF
  1520 Nitrosyl fluorideNOF
  1521 Fluorine dioxideO2F
  1522 Fluorodihydroxyborane (Geo)H2BO2F
  1523 FluorodihydroxyboraneH2BO2F
  1524 p-Fluorobenzoic acidC7H5O2F
  1525 Fluorine nitriteNO2F
  1526 B3O3H2FH2B3O3F
  1527 Fluorine nitrateNO3F
  1528 FluorodinitromethaneHCN2O4F
  1529 Fluorodinitrophenylmethane C7H5N2O4F
  1530 Li(+)(H2O)5.FH10LiO5F
  1531 Li(+)(H2O)5.F (Geo)H10LiO5F
  1532 Fluorine (Geo)F2
  1533 FluorineF2
  1534 Hydrogen fluoride dimer (Geo)H2F2
  1535 Lithium fluoride dimer (Geo)Li2F2
  1536 Lithium fluoride, dimerLi2F2
  1537 Beryllium difluoride (Geo)BeF2
  1538 Beryllium difluorideBeF2
  1539 BHF2HBF2


DHf: -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