PM7 Accuracy Date:Mon Feb 11 04:20:05 2019

Isopentane    165 Isopentane

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    #  Species Formula
   155 Methylene cyclobutaneC5H8
   156 Spiropentane (Geo)C5H8
   157 SpiropentaneC5H8
   158 Cyclopentyl, cationC5H9
   159 2-Methyl-2-buteneC5H10
   160 cis-2-PenteneC5H10
   161 cis-DimethylcyclopropaneC5H10
   162 CyclopentaneC5H10
   163 trans-2-PenteneC5H10
   164 Neopentyl, anionC5H11
   165 Isopentane C5H12
   166 n-PentaneC5H12
   167 Neopentane (Geo)C5H12
   168 NeopentaneC5H12
   169 Lithium cyclopentadienide (Geo)H5LiC5
   170 Cyclopentadienylberyllium hydrideH6BeC5
   171 C6H5 radicalC6H5
   172 BenzeneC6H6
   173 Benzene (Geo)C6H6
   174 FulveneC6H6
   175 Fulvene (Geo)C6H6


ΔHf: -36.8 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
Isopentane
 H=-36.8 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.53369912 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.53402903 +1  109.8345216 +1    0.0000000 +0     2     1     0
  C     1.54123761 +1  111.1101349 +1  121.6223149 +1     2     1     3
  C     1.52859864 +1  112.0253642 +1   71.7671884 +1     4     2     1
  H     1.09523127 +1  111.3048995 +1  178.9820925 +1     1     2     3
  H     1.09509746 +1  111.4757848 +1  120.0200419 +1     1     2     6
  H     1.09507327 +1  111.2279989 +1  120.1110504 +1     1     2     7
  H     1.11698103 +1  108.5740111 +1  119.5565048 +1     2     1     4
  H     1.09511451 +1  111.4329296 +1   63.1182051 +1     3     2     1
  H     1.09505335 +1  111.4084170 +1  120.2949278 +1     3     2    10
  H     1.09547506 +1  111.1488662 +1  119.8101827 +1     3     2    11
  H     1.10690661 +1  109.4604300 +1  121.7599173 +1     4     2     5
  H     1.10569089 +1  109.7465782 +1  115.5848329 +1     4     2    13
  H     1.09548370 +1  111.5533224 +1  -61.2364930 +1     5     4     2
  H     1.09545226 +1  111.4697767 +1  120.1402284 +1     5     4    15
  H     1.09562328 +1  111.1264088 +1  119.9735297 +1     5     4    16