PM7 Accuracy

perfluoroheptane   1656 Perfluoroheptane

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    #  Species Formula
  1646 Perfluorodimethoxymethane (Geo)C3O2F8
  1647 PerfluorodimethoxymethaneC3O2F8
  1648 Perfluoro-n-butane (Geo)C4F10
  1649 n-PerfluorobutaneC4F10
  1650 DecafluorocyclohexeneC6F10
  1651 UndecafluoropiperidineC5NF11
  1652 Tetrakis(difluoroamine)-N-1,1-trifluorodimethylamineC2N5F11
  1653 DodecafluorocyclohexaneC6F12
  1654 Bis-(n-perfluoropropyl ether)C6OF14
  1655 PerfluorotriethylamineC6NF15
  1656 Perfluoroheptane C7F16
  1657 cis-Perfluorobicyclo[4,3,0]nonaneC9F16
  1658 trans-Perfluorobicyclo[4,3,0]nonaneC9F16
  1659 Perfluoro 3-ethyl 2,4 dimethyl pent-2-enC9F18
  1660 Perfluoro cis decalinC10F18
  1661 Perfluoro-di(n-butyl) etherC8OF18
  1662 Perfluoro-2,7-dimethyloctaneC10F22
  1663 PerfluorotributylamineC12NF27
  1664 Neon, atomNe
  1665 Neon fluoride anion (Geo)FNe
  1666 Sodium, cationNa


DHf: -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