Accuracy

cis-perfluorobicyclo(4,3,0)nonane   1654 cis-Perfluorobicyclo[4,3,0]nonane

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    #  Species Formula
  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 PerfluoroheptaneC7F16
  1654 cis-Perfluorobicyclo[4,3,0]nonane C9F16
  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
  1664 Sodium, 2P(u) - 3s(0)3p(1)Na


ΔHf: -767.7 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
cis-Perfluorobicyclo[4,3,0]nonane
 H=-767.73 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.56642856 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.56598691 +1  113.1037708 +1    0.0000000 +0     2     1     0
  C     1.56648620 +1  113.1431109 +1   -0.8526271 +1     3     2     1
  C     1.55533404 +1  112.7812293 +1  -49.1523550 +1     4     3     2
  C     1.55549561 +1  112.7330829 +1   50.1318273 +1     1     2     3
  C     1.56564591 +1  112.2990230 +1 -171.4504148 +1     6     1     2
  C     1.56467472 +1  107.3772928 +1  112.9320699 +1     7     6     1
  C     1.56556640 +1  112.2586959 +1  172.0993474 +1     5     4     3
  F     1.33431741 +1  109.4159576 +1  -73.2713452 +1     1     2     3
  F     1.33330075 +1  109.2185614 +1  -72.6318593 +1     2     1     6
  F     1.33199680 +1  109.6518577 +1  173.5664305 +1     2     1     6
  F     1.33331978 +1  109.9095155 +1 -123.2320706 +1     3     2     1
  F     1.33204009 +1  110.1905139 +1  122.2660589 +1     3     2     1
  F     1.33228800 +1  109.5618972 +1 -171.9248980 +1     4     3     2
  F     1.33428916 +1  109.4726370 +1   74.2593309 +1     4     3     2
  F     1.34200305 +1  106.9127620 +1  -69.1611567 +1     5     4     3
  F     1.34212030 +1  106.8669370 +1   69.8734169 +1     6     1     2
  F     1.32924197 +1  112.4976184 +1  -10.3192816 +1     7     6     1
  F     1.33141718 +1  110.4615081 +1 -126.4499686 +1     7     6     1
  F     1.33059307 +1  111.0779940 +1 -100.0069327 +1     8     7     6
  F     1.32831029 +1  111.9899434 +1  143.0422453 +1     8     7     6
  F     1.32920982 +1  112.5153114 +1   11.4406141 +1     9     5     4
  F     1.33144763 +1  110.4623857 +1  127.6223728 +1     9     5     4
  F     1.33215535 +1  109.6228836 +1  172.8999313 +1     1     2     3