Accuracy

perfluorotributylamine   1660 Perfluorotributylamine

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    #  Species Formula
  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 decalinC10F18
  1658 Perfluoro-di(n-butyl) etherC8OF18
  1659 Perfluoro-2,7-dimethyloctaneC10F22
  1660 Perfluorotributylamine C12NF27
  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
  1668 Sodium hydrideHNa
  1669 Helium Sodium cation (Geo)HeNa
  1670 Na-Li, complex (Geo)LiNa


ΔHf:-1334.5 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
Perfluorotributylamine
 H=-1334.5 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.56880572 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.57194902 +1  113.7581211 +1    0.0000000 +0     2     1     0
  C     1.58355325 +1  112.1216304 +1  -95.6824124 +1     3     2     1
  N     1.46544566 +1  118.5104959 +1  166.6703201 +1     4     3     2
  C     1.46742002 +1  116.3755131 +1   40.9584554 +1     5     4     3
  C     1.58382221 +1  117.7201955 +1 -175.4600480 +1     6     5     4
  C     1.57102538 +1  112.3194260 +1  166.9810419 +1     7     6     5
  C     1.56940273 +1  113.7995654 +1  -94.7434610 +1     8     7     6
  C     1.46731182 +1  116.3961241 +1 -177.8339339 +1     5     4     3
  C     1.58308811 +1  118.9917358 +1   36.0012781 +1    10     5     4
  C     1.57183333 +1  112.2386126 +1  170.7024124 +1    11    10     5
  C     1.56947001 +1  113.7466956 +1  -96.5562012 +1    12    11    10
  F     1.32557219 +1  112.1143965 +1  -69.1495912 +1     1     2     3
  F     1.32481330 +1  112.1712930 +1  170.9154764 +1     1     2     3
  F     1.32571160 +1  112.4054614 +1   50.8523851 +1     1     2     3
  F     1.33249643 +1  109.4826811 +1  166.7602036 +1     2     1    14
  F     1.33295172 +1  109.0463313 +1   53.2589414 +1     2     1    14
  F     1.33113147 +1  109.1823994 +1  142.0814011 +1     3     2     1
  F     1.33090285 +1  109.1121274 +1   27.2453835 +1     3     2     1
  F     1.33551724 +1  106.1037180 +1   44.3703749 +1     4     3     2
  F     1.33802244 +1  108.4586370 +1  -66.8190390 +1     4     3     2
  F     1.33761076 +1  110.1306763 +1   59.0170907 +1     6     5     4
  F     1.33473522 +1  109.0912687 +1  -54.4051178 +1     6     5     4
  F     1.33098949 +1  110.5607873 +1   44.8445274 +1     7     6     5
  F     1.33121499 +1  110.0348657 +1  -71.1253798 +1     7     6     5
  F     1.33287264 +1  109.4122255 +1  143.0575854 +1     8     7     6
  F     1.33251204 +1  110.3572617 +1   28.8407509 +1     8     7     6
  F     1.32553646 +1  112.0281914 +1  -69.9163024 +1     9     8     7
  F     1.32483820 +1  112.1453444 +1  170.1992681 +1     9     8     7
  F     1.32554253 +1  112.4748378 +1   50.0723206 +1     9     8     7
  F     1.33824453 +1  109.8759085 +1  -89.7963843 +1    10     5     4
  F     1.33581146 +1  108.3598131 +1  157.1696719 +1    10     5     4
  F     1.33134694 +1  110.4332412 +1   48.8596680 +1    11    10     5
  F     1.33083574 +1  110.2848056 +1  -67.2629092 +1    11    10     5
  F     1.33279649 +1  109.4006970 +1  141.2138951 +1    12    11    10
  F     1.33242325 +1  110.5371388 +1   26.9196320 +1    12    11    10
  F     1.32544966 +1  112.0945747 +1  -69.3246097 +1    13    12    11
  F     1.32484965 +1  112.1124797 +1  170.7854221 +1    13    12    11
  F     1.32559954 +1  112.3915266 +1   50.7307753 +1    13    12    11