Accuracy

2,3-dimethyl-2,3-butanediol   1118 2,3-Dimethyl-2,3-butanediol

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    #  Species Formula
  1108 Methyl 2-methylbutanoateC6H12O2
  1109 Methyl 2,2-dimethyl-propanoateC6H12O2
  1110 Methyl 3-methylbutanoateC6H12O2
  1111 Methyl pentanoateC6H12O2
  1112 t-Butyl acetateC6H12O2
  1113 trans 4,5-Dimethyl-1,3-dioxaneC6H12O2
  1114 1,1-Diethoxy ethaneC6H14O2
  1115 1,1-Dimethoxy-butaneC6H14O2
  1116 1,2-Diethoxy ethaneC6H14O2
  1117 1,6-HexanediolC6H14O2
  1118 2,3-Dimethyl-2,3-butanediol C6H14O2
  1119 DihydoxyphenylboraneH7BC6O2
  1120 3-(2-Furanyl)-2-propenalC7H6O2
  1121 Benzoic acidC7H6O2
  1122 Phenyl formateC7H6O2
  1123 TropoloneC7H6O2
  1124 3-Methyl-1,2-benzenediolC7H8O2
  1125 4-Methyl 1,2-BenzenediolC7H8O2
  1126 Ethyl 2-methylene-3-butenoateC7H10O2
  1127 Ethyl 2-pentynoateC7H10O2
  1128 Ethyl 3-pentynoateC7H10O2


ΔHf: -129.2 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
2,3-Dimethyl-2,3-butanediol
 H=-129.2 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.52924336 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.56559781 +1  112.0289731 +1    0.0000000 +0     2     1     0
  C     1.52915541 +1  111.9572098 +1 -179.9762402 +1     3     2     1
  C     1.52911344 +1  111.9197523 +1 -125.3753314 +1     3     2     4
  C     1.52913560 +1  110.9988863 +1 -125.9975533 +1     2     1     3
  O     1.42097569 +1  109.3484595 +1 -120.7708888 +1     2     1     6
  O     1.42081285 +1  102.8421076 +1 -117.3012960 +1     3     2     5
  H     1.09953091 +1  110.2391982 +1   50.5635143 +1     1     2     3
  H     1.09609868 +1  111.1340882 +1 -119.2462463 +1     1     2     9
  H     1.09289607 +1  112.1874135 +1 -120.6408129 +1     1     2    10
  H     1.09961356 +1  110.2253566 +1  -50.3216586 +1     4     3     2
  H     1.09613423 +1  111.1417283 +1  119.2513872 +1     4     3    12
  H     1.09301052 +1  112.2065272 +1  120.6466597 +1     4     3    13
  H     1.09601791 +1  111.1472937 +1  -68.8286133 +1     5     3     2
  H     1.09943892 +1  110.2428351 +1  119.4352506 +1     5     3    15
  H     1.09314484 +1  112.1593862 +1  120.0512226 +1     5     3    16
  H     1.09953811 +1  110.2535866 +1   76.0743738 +1     6     2     1
  H     1.09611247 +1  111.1225084 +1  119.2590186 +1     6     2    18
  H     1.09295735 +1  112.1920614 +1  120.6195476 +1     6     2    19
  H     0.97309070 +1  110.9055529 +1   60.8510369 +1     7     2     1
  H     0.97311260 +1  110.9149831 +1 -179.9570012 +1     8     3     2