PM7 Accuracy

perfluorotributylamine   1663 Perfluorotributylamine

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    #  Species Formula
  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 Perfluorotributylamine C12NF27
  1664 Neon, atomNe
  1665 Neon fluoride anion (Geo)FNe
  1666 Sodium, cationNa
  1667 Sodium, 2P(u) - 3s(0)3p(1)Na
  1668 Sodium, atomNa
  1669 Sodium, anionNa
  1670 Sodium hydride (Geo)HNa
  1671 Sodium hydrideHNa
  1672 Helium Sodium cation (Geo)HeNa
  1673 Na-Li, complex (Geo)LiNa


DHf:-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