PM7 Accuracy

m-xylene    232 m-Xylene

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    #  Species Formula
   222 2,4-Dimethyl pentaneC7H16
   223 2-Methyl hexaneC7H16
   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-Xylene C8H10
   233 o-XyleneC8H10
   234 p-XyleneC8H10
   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


DHf: 4.1 kcal/mol,     REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
  
 PM7
m-Xylene
 H=4.14,0.18 HR=C&P1970
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     2.79378171  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.39402814  1   59.8194266  1    0.0000000  0     1     2     0
  C     1.39558796  1   60.0348693  1  179.9595300  1     1     2     3
  C     1.39117117  1  120.3713472  1    0.0130349  1     3     1     2
  C     1.39766677  1  119.8527220  1   -0.0052686  1     4     1     2
  H     1.08637859  1  179.7173364  1   10.8634033  1     1     2     3
  H     1.08883461  1  119.6839707  1 -179.9940836  1     3     1     2
  C     1.49195108  1  120.5882671  1 -179.9924579  1     4     1     2
  H     1.08650147  1  120.1220272  1 -179.9790571  1     5     3     1
  H     1.08663890  1  119.6700844  1  179.9767916  1     6     4     1
  C     1.49185069  1  179.4998933  1   19.4976171  1     2     1     3
  H     1.10029971  1  111.1661266  1   60.6277832  1    12     2     5
  H     1.09793023  1  112.8049399  1 -179.1137278  1    12     2     5
  H     1.10017001  1  111.2446387  1  -58.8149444  1    12     2     5
  H     1.10010572  1  111.2025325  1  120.0842149  1     9     4     1
  H     1.10009406  1  111.2248874  1 -120.4731257  1     9     4     1
  H     1.09798445  1  112.7812451  1   -0.1857323  1     9     4     1