Accuracy

trans-perfluorobicyclo(4,3,0)nonane   1655 trans-Perfluorobicyclo[4,3,0]nonane

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    #  Species Formula
  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]nonaneC9F16
  1655 trans-Perfluorobicyclo[4,3,0]nonane C9F16
  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
  1665 Sodium, atomNa


ΔHf: -768.9 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
trans-Perfluorobicyclo[4,3,0]nonane
 H=-768.88 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.57261542 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.57040976 +1  114.0418224 +1    0.0000000 +0     2     1     0
  C     1.57263482 +1  114.0418384 +1  -44.8828101 +1     3     2     1
  C     1.54625979 +1  110.1200863 +1   48.7705509 +1     4     3     2
  C     1.54599783 +1  110.1194860 +1   48.6829366 +1     1     2     3
  C     1.55852331 +1  118.5517895 +1 -178.0495671 +1     6     1     2
  C     1.57734464 +1  105.1406500 +1  154.9644629 +1     7     6     1
  C     1.55879826 +1  118.5296480 +1 -178.0970616 +1     5     4     3
  F     1.33220049 +1  109.9336363 +1  -74.2319764 +1     1     2     3
  F     1.33130869 +1  110.0684933 +1  171.2413301 +1     1     2     3
  F     1.33339159 +1  109.1799191 +1  -73.8190650 +1     2     1     6
  F     1.33141204 +1  109.8084403 +1  172.1543273 +1     2     1     6
  F     1.33146523 +1  109.5684571 +1 -168.3950029 +1     3     2     1
  F     1.33333364 +1  109.2759458 +1   77.6481428 +1     3     2     1
  F     1.33219734 +1  109.9130389 +1  -74.1342612 +1     4     3     2
  F     1.33134375 +1  110.0847110 +1  171.3346235 +1     4     3     2
  F     1.34400138 +1  107.2962444 +1   60.6094021 +1     5     4     3
  F     1.34411828 +1  107.2876831 +1   60.6799042 +1     6     1     2
  F     1.32937475 +1  111.8049477 +1   34.2865537 +1     7     6     1
  F     1.32761825 +1  112.0086984 +1  -83.1728975 +1     7     6     1
  F     1.32832080 +1  111.4833475 +1 -134.3527019 +1     8     7     6
  F     1.32856002 +1  111.1672004 +1  108.8875599 +1     8     7     6
  F     1.32939781 +1  111.7890810 +1   33.1617839 +1     9     5     4
  F     1.32774323 +1  111.9581314 +1  -84.2397808 +1     9     5     4