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

3-ethyl pentane    225 3-Ethyl pentane

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    #  Species Formula
   215 1,3-cis-Dimethyl cyclopentaneC7H14
   216 1-HepteneC7H14
   217 Ethyl cyclopentaneC7H14
   218 Methyl-cyclohexaneC7H14
   219 2,2,3-Trimethyl butaneC7H16
   220 2,2-Dimethyl pentaneC7H16
   221 2,3-Dimethyl pentaneC7H16
   222 2,4-Dimethyl pentaneC7H16
   223 2-Methyl hexaneC7H16
   224 3,3-Dimethyl pentaneC7H16
   225 3-Ethyl pentane C7H16
   226 3-Methyl hexaneC7H16
   227 n-HeptaneC7H16
   228 CubaneC8H8
   229 CyclooctatetraeneC8H8
   230 StyreneC8H8
   231 EthylbenzeneC8H10
   232 m-XyleneC8H10
   233 o-XyleneC8H10
   234 p-XyleneC8H10
   235 1,5-CyclooctadieneC8H12


ΔHf: -45.3 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
3-Ethyl pentane
 HR=NIST H=-45.34
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.52940445 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.54414921 +1  111.9251802 +1    0.0000000 +0     2     1     0
  C     1.54315427 +1  111.5471824 +1  102.0802307 +1     3     2     1
  C     1.52848946 +1  112.3898855 +1  -65.6164272 +1     4     3     2
  C     1.54419982 +1  110.5424808 +1  121.1028993 +1     3     2     4
  C     1.52883143 +1  111.7417089 +1   73.8891785 +1     6     3     2
  H     1.09548032 +1  111.7022165 +1  -57.8330024 +1     1     2     3
  H     1.09562645 +1  111.3958877 +1  120.2515625 +1     1     2     8
  H     1.09570909 +1  111.0830394 +1  119.7389940 +1     1     2     9
  H     1.10546033 +1  110.0306362 +1  122.8062014 +1     2     1     3
  H     1.10680171 +1  109.1231906 +1  114.9280139 +1     2     1    11
  H     1.11480142 +1  109.1699039 +1  119.1068675 +1     3     2     6
  H     1.10581694 +1  109.8376385 +1  122.7351336 +1     4     3     5
  H     1.10730450 +1  109.3301165 +1  115.8431768 +1     4     3    14
  H     1.09530911 +1  111.4508792 +1  -55.0429265 +1     5     4     3
  H     1.09635443 +1  111.3369502 +1  120.1372459 +1     5     4    16
  H     1.09542344 +1  111.1369916 +1  119.7498519 +1     5     4    17
  H     1.10697631 +1  109.7928677 +1  121.3203253 +1     6     3     7
  H     1.10528239 +1  109.9592006 +1  115.8518390 +1     6     3    19
  H     1.09585230 +1  111.6540417 +1  -58.3743952 +1     7     6     3
  H     1.09569969 +1  111.3881063 +1  119.9971657 +1     7     6    21
  H     1.09551700 +1  111.1397845 +1  119.9417432 +1     7     6    22