PM7 Accuracy Date:Mon Feb 11 04:20:05 2019

1,3-dioxolane-2-phenyl   1157 1,3-Dioxolane-2-phenyl

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    #  Species Formula
  1147 Ethyl 3-methylbutanoateC7H14O2
  1148 Ethyl pentanoateC7H14O2
  1149 Methyl 3,3-dimethylbutanoateC7H14O2
  1150 Methyl hexanoateC7H14O2
  1151 1,3-DiethoxypropaneC7H16O2
  1152 1,7-HeptanediolC7H16O2
  1153 m-Methylbenzoic acidC8H8O2
  1154 Methyl benzoateC8H8O2
  1155 o-Methylbenzoic acidC8H8O2
  1156 p-Methylbenzoic acidC8H8O2
  1157 1,3-Dioxolane-2-phenyl C9H10O2
  1158 2,3-Dimethylbenzoic acidC9H10O2
  1159 2,4-Dimethylbenzoic acidC9H10O2
  1160 2,5-Dimethylbenzoic acidC9H10O2
  1161 2,6-Dimethylbenzoic acidC9H10O2
  1162 2-Ethylbenzoic acidC9H10O2
  1163 3,4-Dimethylbenzoic acidC9H10O2
  1164 3,5-Dimethylbenzoic acidC9H10O2
  1165 3-Ethylbenzoic acidC9H10O2
  1166 4-Ethylbenzoic acidC9H10O2
  1167 Methyl 4-methylbenzoateC9H10O2


ΔHf: -49.1 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
1,3-Dioxolane-2-phenyl
 H=-49.07 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.39427071 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.39334889 +1  120.0020033 +1    0.0000000 +0     2     1     0
  C     1.39369751 +1  119.6575978 +1    0.0330181 +1     3     2     1
  C     1.39357416 +1  120.5380502 +1   -0.0280747 +1     4     3     2
  C     1.39415664 +1  120.1334454 +1    0.0228786 +1     1     2     3
  C     1.50503260 +1  119.7277680 +1  179.2943256 +1     4     3     2
  O     1.41733800 +1  110.7930966 +1   30.8774413 +1     7     4     3
  C     1.42595649 +1  107.9092048 +1   94.7707756 +1     8     7     4
  C     1.53825252 +1  105.0486785 +1   16.2261611 +1     9     8     7
  O     1.41786041 +1  110.6070127 +1  149.6297776 +1     7     4     3
  H     1.08805430 +1  119.9402391 +1 -179.9617801 +1     1     2     3
  H     1.08787215 +1  120.0603900 +1 -179.9428761 +1     2     1     6
  H     1.09055300 +1  120.3906566 +1 -179.6277749 +1     3     2     1
  H     1.09054073 +1  119.9581706 +1 -179.5885137 +1     5     4     3
  H     1.08788396 +1  120.0648791 +1  179.8987181 +1     6     1     2
  H     1.10955531 +1  114.4960272 +1  -89.7708975 +1     7     4     3
  H     1.10103439 +1  107.7188054 +1 -105.0561685 +1     9     8     7
  H     1.10051090 +1  105.0556944 +1  137.1495366 +1     9     8     7
  H     1.10103606 +1  113.4511823 +1 -118.1971214 +1    10     9     8
  H     1.10059176 +1  114.3288487 +1  113.7850566 +1    10     9     8