PM7 Accuracy

perfluoro 3-ethyl 2,4 dimethyl pent-2-en   1659 Perfluoro 3-ethyl 2,4 dimethyl pent-2-en

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    #  Species Formula
  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 PerfluoroheptaneC7F16
  1657 cis-Perfluorobicyclo[4,3,0]nonaneC9F16
  1658 trans-Perfluorobicyclo[4,3,0]nonaneC9F16
  1659 Perfluoro 3-ethyl 2,4 dimethyl pent-2-en C9F18
  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
  1667 Sodium, 2P(u) - 3s(0)3p(1)Na
  1668 Sodium, atomNa
  1669 Sodium, anionNa


DHf: -897.1 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
Perfluoro 3-ethyl 2,4 dimethyl pent-2-en
 H=-897.06 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.52509454  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.33735584  1  123.1150868  1    0.0000000  0     2     1     0
  C     1.51348636  1  126.6129968  1 -176.0897792  1     3     2     1
  C     1.57407359  1  114.3573938  1   49.7428031  1     4     3     2
  C     1.52863543  1  121.2843413  1    3.9627755  1     3     2     1
  C     1.57672819  1  112.4800616  1  -94.0444350  1     6     3     2
  C     1.51899870  1  109.7267201  1  179.9269181  1     2     1     3
  C     1.57164240  1  110.5018690  1  -80.2706741  1     4     3     2
  F     1.32872553  1  113.4436926  1  160.8565031  1     1     2     3
  F     1.32974932  1  113.2476814  1   41.8207780  1     1     2     3
  F     1.32801155  1  112.7803519  1  -79.1679826  1     1     2     3
  F     1.35084615  1  109.2093504  1  165.0360676  1     4     3     2
  F     1.32601344  1  111.2807797  1  123.8499636  1     5     4     3
  F     1.32677457  1  112.6711702  1    5.3893185  1     5     4     3
  F     1.32388133  1  114.2044923  1 -116.3190716  1     5     4     3
  F     1.33605794  1  111.3456678  1  143.2034482  1     6     3     2
  F     1.33459492  1  112.1319398  1   29.6928885  1     6     3     2
  F     1.32335221  1  112.6375392  1  143.0414209  1     7     6     3
  F     1.32737443  1  112.0550575  1   22.8802546  1     7     6     3
  F     1.32496597  1  112.1694634  1  -96.4212482  1     7     6     3
  F     1.32735347  1  115.4319809  1 -167.0243687  1     8     2     1
  F     1.32868521  1  112.4826921  1   71.9808104  1     8     2     1
  F     1.32971557  1  111.9942539  1  -47.4088592  1     8     2     1
  F     1.32385224  1  113.1714119  1  161.4086106  1     9     4     3
  F     1.32543933  1  113.5086416  1   39.5294138  1     9     4     3
  F     1.32670749  1  110.9321137  1  -79.2710052  1     9     4     3