Accuracy

styrene    229 Styrene

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    #  Species Formula
   219 2,2-Dimethyl pentaneC7H16
   220 2,3-Dimethyl pentaneC7H16
   221 2,4-Dimethyl pentaneC7H16
   222 2-Methyl hexaneC7H16
   223 3,3-Dimethyl pentaneC7H16
   224 3-Ethyl pentaneC7H16
   225 3-Methyl hexaneC7H16
   226 n-HeptaneC7H16
   227 CubaneC8H8
   228 CyclooctatetraeneC8H8
   229 Styrene C8H8
   230 EthylbenzeneC8H10
   231 m-XyleneC8H10
   232 o-XyleneC8H10
   233 p-XyleneC8H10
   234 1,5-CyclooctadieneC8H12
   235 4-Vinyl cyclohexeneC8H12
   236 1-OctyneC8H14
   237 2,5-Dimethyl 2,4-hexadieneC8H14
   238 2-OctyneC8H14
   239 3,4-Dimethyl-(E,E)-2,4-hexadieneC8H14


ΔHf: 35.3 kcal/mol,     REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
  
 SYMMETRY PM7
Styrene
 H=35.3,0.25 HR=C&P1970
 
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     2.80290577 +1    0.0000000 +0    0.0000000 +0     1     0     0
 XX     1.00000000 +0   90.0000000 +0    0.0000000 +0     2     1     0
 XX     1.00000000 +0   90.0000000 +0    0.0000000 +0     1     2     3
  C     1.39373144 +1   59.8643458 +1    0.0000000 +0     1     2     3
  C     1.39373144 +0   59.8643458 +0  180.0000000 +0     1     2     3
  C     1.40043022 +1   59.4838104 +1    0.0000000 +0     2     1     4
  C     1.40043022 +0   59.4838104 +0  180.0000000 +0     2     1     4
  H     1.08757111 +1   90.0000000 +0  180.0000000 +0     1     4     2
  H     1.08835808 +1  119.9451545 +1  180.0000000 +0     5     1     2
  H     1.08835808 +0  119.9451545 +0  180.0000000 +0     6     1     2
  H     1.08855542 +1  119.9403699 +1  180.0000000 +0     7     2     1
  H     1.08855542 +0  119.9403699 +0  180.0000000 +0     8     2     1
  C     1.46259752 +1   91.6672956 +1  179.9934000 +1     2     3     1
  C     1.33613648 +1  125.1502412 +1    0.6661562 +1    14     2     3
  H     1.09508115 +1  114.7454108 +1 -179.3613999 +1    14     2     3
  H     1.07960797 +1  123.0359792 +1  179.9908531 +1    15    14     2
  H     1.07844072 +1  124.3998612 +1    0.0097702 +1    15    14     2
 
   5  1    6
   5  2    6
   7  1    8
   7  2    8
  10  1   11
  10  2   11
  12  1   13
  12  2   13