Accuracy

hexafluoropentanedioic acid, dimethyl ester   1635 Hexafluoropentanedioic acid, dimethyl ester

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    #  Species Formula
  1625 PentafluoroguanidineCN3F5
  1626 PentafluorophenolHC6OF5
  1627 Hexafluoroethane (Geo)C2F6
  1628 HexafluoroethaneC2F6
  1629 PerfluorobutadieneC4F6
  1630 HexafluorobenzeneC6F6
  1631 HexafluorodimethylamineCN2F6
  1632 Dimethyl perfluoroether (Geo)C2OF6
  1633 Dimethyl perfluoroetherC2OF6
  1634 PerfluoroacetoneC3OF6
  1635 Hexafluoropentanedioic acid, dimethyl ester C7H6O4F6
  1636 Heptafluoromethane triamineCN3F7
  1637 Perfluoropropane (Geo)C3F8
  1638 PerfluoropropaneC3F8
  1639 Perfluorobut-2-eneC4F8
  1640 PerfluorocyclobutaneC4F8
  1641 OctafluorotolueneC7F8
  1642 OctafluoromethanetetramineCN4F8
  1643 Perfluorodimethoxymethane (Geo)C3O2F8
  1644 PerfluorodimethoxymethaneC3O2F8
  1645 Perfluoro-n-butane (Geo)C4F10


ΔHf: -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