PM7 Accuracy

p-xylene    234 p-Xylene

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    #  Species Formula
   224 3,3-Dimethyl pentaneC7H16
   225 3-Ethyl pentaneC7H16
   226 3-Methyl hexaneC7H16
   227 n-HeptaneC7H16
   228 CubaneC8H8
   229 CyclooctatetraeneC8H8
   230 StyreneC8H8
   231 EthylbenzeneC8H10
   232 m-XyleneC8H10
   233 o-XyleneC8H10
   234 p-Xylene C8H10
   235 1,5-CyclooctadieneC8H12
   236 4-Vinyl cyclohexeneC8H12
   237 1-OctyneC8H14
   238 2,5-Dimethyl 2,4-hexadieneC8H14
   239 2-OctyneC8H14
   240 3,4-Dimethyl-(E,E)-2,4-hexadieneC8H14
   241 3,4-Dimethyl-(E,Z)-2,4-hexadieneC8H14
   242 3,4-Dimethyl-(Z,Z)-2,4-hexadieneC8H14
   243 3-OctyneC8H14
   244 4-OctyneC8H14


DHf: 4.3 kcal/mol,     REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
  
 PM7
p-Xylene
 H=4.31,0.24 HR=C&P1970
  C    -0.00374677  1   0.00169714  1   0.00000844  1
  C     2.79556825  1   0.00651752  1   0.00264822  1
  C     0.69872811  1   1.21087819  1   0.00258297  1
  C     0.70121531  1  -1.20229224  1  -0.00114772  1
  C     2.08886513  1   1.21328441  1   0.00378818  1
  C     2.09476247  1  -1.19983704  1   0.00010006  1
  C    -1.49530123  1   0.01255419  1  -0.00143425  1
  H     0.15478809  1   2.15254436  1   0.00349326  1
  H     0.16508152  1  -2.14848935  1  -0.00311103  1
  H     2.62950995  1   2.15687440  1   0.00584119  1
  H     2.63413076  1  -2.14423961  1  -0.00073623  1
  C     4.28705485  1   0.02261325  1   0.00496906  1
  H     4.67792446  1   0.51694848  1   0.90685208  1
  H     4.72248881  1  -0.98463988  1  -0.02396459  1
  H     4.68203473  1   0.56939011  1  -0.86378906  1
  H    -1.88909777  1   0.53212531  1  -0.88755648  1
  H    -1.92721645  1  -0.99659847  1  -0.00217511  1
  H    -1.89106367  1   0.53181684  1   0.88377751  1