PM7 Accuracy

bis-(n-perfluoropropyl ether)   1654 Bis-(n-perfluoropropyl ether)

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    #  Species Formula
  1644 OctafluorotolueneC7F8
  1645 OctafluoromethanetetramineCN4F8
  1646 Perfluorodimethoxymethane (Geo)C3O2F8
  1647 PerfluorodimethoxymethaneC3O2F8
  1648 Perfluoro-n-butane (Geo)C4F10
  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-enC9F18
  1660 Perfluoro cis decalinC10F18
  1661 Perfluoro-di(n-butyl) etherC8OF18
  1662 Perfluoro-2,7-dimethyloctaneC10F22
  1663 PerfluorotributylamineC12NF27
  1664 Neon, atomNe


DHf: -769.3 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
Bis-(n-perfluoropropyl ether)
 H=-769.3 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.56587394  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.56723075  1  113.5158229  1    0.0000000  0     2     1     0
  O     1.38628845  1  104.0333131  1 -178.8909992  1     3     2     1
  C     1.38673853  1  120.3056207  1 -179.9243717  1     4     3     2
  C     1.56719505  1  103.9613021  1 -179.9517953  1     5     4     3
  C     1.56621816  1  113.4699140  1 -178.5959041  1     6     5     4
  F     1.32601280  1  112.1500949  1  -59.1436210  1     1     2     3
  F     1.32593339  1  112.1478097  1  119.9023474  1     1     2     8
  F     1.32491169  1  112.2957133  1  120.0573897  1     1     2     9
  F     1.33159416  1  109.9650996  1  122.5669215  1     2     1     3
  F     1.33172029  1  109.8991239  1  114.9490153  1     2     1    11
  F     1.32694159  1  112.7536354  1 -120.5038906  1     3     2     4
  F     1.32699612  1  112.6721560  1 -119.1055820  1     3     2    13
  F     1.32686837  1  111.0947672  1 -121.5224200  1     5     4     6
  F     1.32679281  1  111.1039906  1 -116.9937104  1     5     4    15
  F     1.33160641  1  109.1620947  1  122.9730867  1     6     5     7
  F     1.33159894  1  109.0932906  1  114.0657943  1     6     5    17
  F     1.32595245  1  112.1491247  1   60.8673217  1     7     6     5
  F     1.32599295  1  112.1346948  1 -119.8869958  1     7     6    19
  F     1.32488040  1  112.2977649  1 -120.0552584  1     7     6    20