PM7 Accuracy

hexafluoropentanedioic acid, dimethyl ester   1638 Hexafluoropentanedioic acid, dimethyl ester

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    #  Species Formula
  1628 PentafluoroguanidineCN3F5
  1629 PentafluorophenolHC6OF5
  1630 Hexafluoroethane (Geo)C2F6
  1631 HexafluoroethaneC2F6
  1632 PerfluorobutadieneC4F6
  1633 HexafluorobenzeneC6F6
  1634 HexafluorodimethylamineCN2F6
  1635 Dimethyl perfluoroether (Geo)C2OF6
  1636 Dimethyl perfluoroetherC2OF6
  1637 PerfluoroacetoneC3OF6
  1638 Hexafluoropentanedioic acid, dimethyl ester C7H6O4F6
  1639 Heptafluoromethane triamineCN3F7
  1640 Perfluoropropane (Geo)C3F8
  1641 PerfluoropropaneC3F8
  1642 Perfluorobut-2-eneC4F8
  1643 PerfluorocyclobutaneC4F8
  1644 OctafluorotolueneC7F8
  1645 OctafluoromethanetetramineCN4F8
  1646 Perfluorodimethoxymethane (Geo)C3O2F8
  1647 PerfluorodimethoxymethaneC3O2F8
  1648 Perfluoro-n-butane (Geo)C4F10


DHf: -460.5 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
Hexafluoropentanedioic acid, dimethyl ester
 H=-460.47 HR=NIST
  C     2.05813656  1  -0.21873010  1   0.31929599  1
  O     2.82365854  1   0.12913693  1  -0.83742229  1
  C     2.26625202  1   1.03703200  1  -1.65371631  1
  C     3.25234585  1   1.29553951  1  -2.81194025  1
  C     3.26895849  1   0.15399304  1  -3.88198571  1
  C     4.25836275  1  -1.01796756  1  -3.57141235  1
  C     5.71216092  1  -0.70736323  1  -3.98361957  1
  O     6.31593213  1  -0.10130063  1  -2.94915354  1
  C     7.68891787  1   0.24487704  1  -3.14988919  1
  O     1.20059305  1   1.56203782  1  -1.53158322  1
  O     6.18877491  1  -0.96759139  1  -5.04761191  1
  F     4.48356330  1   1.49604177  1  -2.33845639  1
  F     2.93593643  1   2.45363277  1  -3.39436872  1
  F     3.55900269  1   0.66164505  1  -5.08194548  1
  F     2.03117689  1  -0.32516559  1  -4.02595082  1
  F     3.85919695  1  -2.12124555  1  -4.20794411  1
  F     4.19143147  1  -1.34746985  1  -2.28098614  1
  H     2.59942207  1  -1.09129172  1   0.70792193  1
  H     1.02881497  1  -0.47600741  1   0.04767110  1
  H     2.07752289  1   0.61356748  1   1.03027325  1
  H     7.92306155  1   0.81556860  1  -2.24176787  1
  H     7.80930057  1   0.86003322  1  -4.04812691  1
  H     8.29225109  1  -0.66592081  1  -3.21686730  1