Accuracy

perfluoroheptane   1653 Perfluoroheptane

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    #  Species Formula
  1643 Perfluorodimethoxymethane (Geo)C3O2F8
  1644 PerfluorodimethoxymethaneC3O2F8
  1645 Perfluoro-n-butane (Geo)C4F10
  1646 n-PerfluorobutaneC4F10
  1647 DecafluorocyclohexeneC6F10
  1648 UndecafluoropiperidineC5NF11
  1649 Tetrakis(difluoroamine)-N-1,1-trifluorodimethylamineC2N5F11
  1650 DodecafluorocyclohexaneC6F12
  1651 Bis-(n-perfluoropropyl ether)C6OF14
  1652 PerfluorotriethylamineC6NF15
  1653 Perfluoroheptane C7F16
  1654 cis-Perfluorobicyclo[4,3,0]nonaneC9F16
  1655 trans-Perfluorobicyclo[4,3,0]nonaneC9F16
  1656 Perfluoro 3-ethyl 2,4 dimethyl pent-2-enC9F18
  1657 Perfluoro cis decalinC10F18
  1658 Perfluoro-di(n-butyl) etherC8OF18
  1659 Perfluoro-2,7-dimethyloctaneC10F22
  1660 PerfluorotributylamineC12NF27
  1661 Neon, atomNe
  1662 Neon fluoride anion (Geo)FNe
  1663 Sodium, cationNa


ΔHf: -809.1 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
Perfluoroheptane
 H=-809.13 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.56714771 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.56611305 +1  113.5146677 +1    0.0000000 +0     2     1     0
  C     1.56777407 +1  113.9632585 +1  164.0020637 +1     3     2     1
  C     1.56965055 +1  114.2036191 +1  -89.5331650 +1     4     3     2
  C     1.56685941 +1  114.3050150 +1  -94.1552803 +1     5     4     3
  C     1.56862502 +1  113.8065540 +1  -89.4036498 +1     6     5     4
  F     1.32492861 +1  112.3692505 +1  171.6942620 +1     1     2     3
  F     1.32595147 +1  112.1606432 +1   51.6697757 +1     1     2     3
  F     1.32572936 +1  112.1359635 +1  -68.2826046 +1     1     2     3
  F     1.33284937 +1  109.4767280 +1   49.1132670 +1     2     1     8
  F     1.33287276 +1  109.2972683 +1  -64.7538001 +1     2     1     8
  F     1.33370413 +1  109.9141903 +1   40.3068613 +1     3     2     1
  F     1.33320502 +1  108.9638143 +1  -73.2201640 +1     3     2     1
  F     1.33359977 +1  109.3793329 +1  147.0335345 +1     4     3     2
  F     1.33318502 +1  109.5485347 +1   33.7933197 +1     4     3     2
  F     1.33359475 +1  109.4484544 +1  142.6332913 +1     5     4     3
  F     1.33366177 +1  109.8312363 +1   29.1875584 +1     5     4     3
  F     1.33296429 +1  109.6603994 +1  148.2615773 +1     6     5     4
  F     1.33310952 +1  110.1111734 +1   34.0832782 +1     6     5     4
  F     1.32472450 +1  112.2973028 +1  169.3995164 +1     7     6     5
  F     1.32598859 +1  112.4701547 +1   49.2234037 +1     7     6     5
  F     1.32572149 +1  112.0035632 +1  -70.6529498 +1     7     6     5