Accuracy

n-decane    312 n-Decane

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    #  Species Formula
   302 cis-DecalinC10H18
   303 Spiro(4-5)decaneC10H18
   304 trans-DecalinC10H18
   305 (E)-2,2,5,5-Tetramethyl-3-hexeneC10H20
   306 (Z)-2,2,5,5-Tetramethyl-3-hexeneC10H20
   307 1-DeceneC10H20
   308 Butyl cyclohexaneC10H20
   309 Pentyl cyclopentaneC10H20
   310 2,2,5,5-TetramethylhexaneC10H22
   311 3,3,4,4-TetramethylhexaneC10H22
   312 n-Decane C10H22
   313 PentamethylbenzeneC11H16
   314 1,1,4-TrimethylcycloheptaneC11H22
   315 Hexyl cyclopentaneC11H22
   316 Pentyl cyclohexaneC11H22
   317 UndecaneC11H24
   318 AcenaphthyleneC12H8
   319 BiphenyleneC12H8
   320 AcenaphtheneC12H10
   321 BiphenylC12H10
   322 Biphenyl, for torsion (Torsion angle) (Geo)C12H10


ΔHf: -59.7 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-Decane
 H=-59.67 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.52904020 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.53437257 +1  110.9413738 +1    0.0000000 +0     2     1     0
  C     1.53369154 +1  110.7592545 +1  179.9360760 +1     3     2     1
  C     1.53390728 +1  110.7266806 +1  179.9752394 +1     4     3     2
  C     1.53390796 +1  110.6740869 +1  179.9373586 +1     5     4     3
  C     1.53387335 +1  110.7071040 +1  179.9936241 +1     6     5     4
  C     1.53371119 +1  110.6957312 +1  179.9602287 +1     7     6     5
  C     1.53454081 +1  110.7878137 +1 -179.9681583 +1     8     7     6
  C     1.52850498 +1  110.8908303 +1 -179.9929109 +1     9     8     7
  H     1.09559902 +1  111.4513350 +1  -59.9740587 +1     1     2     3
  H     1.09559292 +1  111.4418720 +1  120.1244519 +1     1     2    11
  H     1.09552099 +1  111.2116635 +1  119.9307267 +1     1     2    12
  H     1.10635209 +1  109.9208479 +1  122.0043484 +1     2     1     3
  H     1.10640869 +1  109.9104105 +1  116.0836853 +1     2     1    14
  H     1.10584696 +1  109.9224550 +1  121.9987539 +1     3     2     4
  H     1.10593308 +1  109.9281144 +1  116.0746949 +1     3     2    16
  H     1.10597259 +1  109.9927386 +1  121.9381733 +1     4     3     5
  H     1.10604217 +1  109.9831225 +1  116.2188140 +1     4     3    18
  H     1.10594590 +1  109.9830019 +1  121.9218812 +1     5     4     6
  H     1.10603676 +1  109.9881918 +1  116.2270905 +1     5     4    20
  H     1.10597317 +1  110.0001774 +1  121.9335961 +1     6     5     7
  H     1.10605911 +1  109.9873868 +1  116.2282128 +1     6     5    22
  H     1.10594062 +1  109.9844319 +1  121.9206069 +1     7     6     8
  H     1.10603593 +1  109.9896462 +1  116.2219030 +1     7     6    24
  H     1.10584793 +1  110.0546296 +1  121.9353024 +1     8     7     9
  H     1.10592705 +1  110.0419609 +1  116.2147991 +1     8     7    26
  H     1.10632726 +1  109.9406240 +1  121.9563008 +1     9     8    10
  H     1.10638310 +1  109.9537158 +1  116.1450582 +1     9     8    28
  H     1.09564363 +1  111.4446915 +1  -59.9788281 +1    10     9     8
  H     1.09563344 +1  111.4357899 +1  120.1169914 +1    10     9    30
  H     1.09560583 +1  111.2256264 +1  119.9330250 +1    10     9    31