Accuracy

perfluoro cis decalin   1657 Perfluoro cis decalin

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    #  Species Formula
  1647 DecafluorocyclohexeneC6F10
  1648 UndecafluoropiperidineC5NF11
  1649 Tetrakis(difluoroamine)-N-1,1-trifluorodimethylamineC2N5F11
  1650 DodecafluorocyclohexaneC6F12
  1651 Bis-(n-perfluoropropyl ether)C6OF14
  1652 PerfluorotriethylamineC6NF15
  1653 PerfluoroheptaneC7F16
  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 decalin C10F18
  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
  1664 Sodium, 2P(u) - 3s(0)3p(1)Na
  1665 Sodium, atomNa
  1666 Sodium, anionNa
  1667 Sodium hydride (Geo)HNa


ΔHf: -866.2 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 cis decalin
 H=-866.18 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.56503372 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.56520560 +1  112.1654450 +1    0.0000000 +0     2     1     0
  C     1.56771366 +1  112.4586105 +1  -22.5540418 +1     3     2     1
  C     1.55951157 +1  112.1662743 +1  -35.3157344 +1     4     3     2
  C     1.56135839 +1  112.9049942 +1   59.3337377 +1     1     2     3
  C     1.55992101 +1  111.1916828 +1 -160.1232437 +1     6     1     2
  C     1.56793333 +1  112.0939690 +1 -171.2544506 +1     7     6     1
  C     1.56537941 +1  112.3560995 +1  -35.2679397 +1     8     7     6
  C     1.56179210 +1  111.2048960 +1 -171.5025080 +1     5     4     3
  F     1.33398985 +1  109.0465658 +1  -64.0829223 +1     1     2     3
  F     1.33185198 +1  109.9285058 +1 -177.8259332 +1     1     2     3
  F     1.33342904 +1  109.4165049 +1  -62.9489179 +1     2     1     6
  F     1.33102541 +1  110.1276776 +1 -177.2519588 +1     2     1     6
  F     1.33233285 +1  110.0470607 +1 -145.1568873 +1     3     2     1
  F     1.33201242 +1  110.0847855 +1  100.2158307 +1     3     2     1
  F     1.33145658 +1  109.8937718 +1 -158.3022688 +1     4     3     2
  F     1.33348362 +1  109.5565196 +1   87.4963941 +1     4     3     2
  F     1.34554019 +1  106.6857357 +1  -55.6237970 +1     5     4     3
  F     1.34545413 +1  106.6202763 +1   83.9268138 +1     6     1     2
  F     1.33333161 +1  110.3459213 +1   66.2494332 +1     7     6     1
  F     1.33152711 +1  110.2037917 +1  -48.5498722 +1     7     6     1
  F     1.33188332 +1  109.8631983 +1 -158.2225470 +1     8     7     6
  F     1.33228428 +1  109.6850596 +1   87.4770054 +1     8     7     6
  F     1.33093738 +1  110.4582193 +1 -146.2481313 +1     9     8     7
  F     1.33336242 +1  109.9863309 +1   98.9375713 +1     9     8     7
  F     1.33166733 +1  109.7486121 +1   76.4336755 +1    10     5     4
  F     1.33390232 +1  110.6897402 +1  -38.1314860 +1    10     5     4