PM7 Accuracy

o-xylene    233 o-Xylene

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    #  Species Formula
   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-XyleneC8H10
   233 o-Xylene C8H10
   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
   243 3-OctyneC8H14


DHf: 4.6 kcal/mol,     REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
  
 PM7
o-Xylene
 H=4.56,0.26 HR=C&P1970
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     2.79668297  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.39309491  1   59.8607419  1    0.0000000  0     1     2     0
  C     1.39238828  1   59.9839487  1  179.9755753  1     1     2     3
  C     1.39560965  1  120.5539547  1    0.0084820  1     3     1     2
  C     1.39309169  1  119.9267067  1    0.0099077  1     4     1     2
  H     1.08731780  1  179.8330737  1  -22.5263370  1     1     2     3
  H     1.08833368  1  119.5323439  1 -179.9839691  1     3     1     2
  H     1.08777925  1  120.0981522  1  179.9881609  1     4     1     2
  C     1.49180096  1  119.6917105  1  179.9828855  1     5     3     1
  H     1.08805852  1  119.5465404  1  179.9852730  1     6     4     1
  C     1.49175217  1  179.2843018  1  176.7091118  1     2     1     3
  H     1.10040627  1  111.2800694  1   59.6747070  1    12     2     5
  H     1.09821399  1  112.6992727  1  179.8792162  1    12     2     5
  H     1.10039888  1  111.2698835  1  -59.9222345  1    12     2     5
  H     1.10034481  1  111.2754374  1  120.2524986  1    10     5     3
  H     1.10034293  1  111.2592095  1 -120.1496183  1    10     5     3
  H     1.09816603  1  112.6998332  1    0.0449163  1    10     5     3