Accuracy

n-perfluorobutane   1646 n-Perfluorobutane

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    #  Species Formula
  1636 Heptafluoromethane triamineCN3F7
  1637 Perfluoropropane (Geo)C3F8
  1638 PerfluoropropaneC3F8
  1639 Perfluorobut-2-eneC4F8
  1640 PerfluorocyclobutaneC4F8
  1641 OctafluorotolueneC7F8
  1642 OctafluoromethanetetramineCN4F8
  1643 Perfluorodimethoxymethane (Geo)C3O2F8
  1644 PerfluorodimethoxymethaneC3O2F8
  1645 Perfluoro-n-butane (Geo)C4F10
  1646 n-Perfluorobutane C4F10
  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


ΔHf: -515.3 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
n-Perfluorobutane
 HR=NIST H=-515.3
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.56895362 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.56361373 +1  113.5501272 +1    0.0000000 +0     2     1     0
  C     1.56819746 +1  113.5972935 +1 -171.2237850 +1     3     2     1
  F     1.32577755 +1  112.2243589 +1  -52.5892966 +1     4     3     2
  F     1.32494918 +1  112.2559107 +1 -172.6021459 +1     4     3     2
  F     1.32563416 +1  112.1260362 +1   67.4156268 +1     4     3     2
  F     1.33274720 +1  109.6067197 +1   66.0292465 +1     3     2     1
  F     1.33284491 +1  109.8381945 +1  -48.4480267 +1     3     2     1
  F     1.33272822 +1  109.2309117 +1 -123.0678475 +1     2     1     3
  F     1.32571014 +1  112.2663092 +1  -51.6002892 +1     1     2     3
  F     1.32561645 +1  112.0983075 +1   68.4135909 +1     1     2     3
  F     1.33254146 +1  109.4317449 +1   71.3457748 +1     2     1    11
  F     1.32486830 +1  112.2206755 +1 -171.6278346 +1     1     2     3