PM7 Accuracy

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


DHf: -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