PM7 Accuracy

2,3-dimethyl-2,3-butanediol   1122 2,3-Dimethyl-2,3-butanediol

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    #  Species Formula
  1112 Methyl 2-methylbutanoateC6H12O2
  1113 Methyl 2,2-dimethyl-propanoateC6H12O2
  1114 Methyl 3-methylbutanoateC6H12O2
  1115 Methyl pentanoateC6H12O2
  1116 t-Butyl acetateC6H12O2
  1117 trans 4,5-Dimethyl-1,3-dioxaneC6H12O2
  1118 1,1-Diethoxy ethaneC6H14O2
  1119 1,1-Dimethoxy-butaneC6H14O2
  1120 1,2-Diethoxy ethaneC6H14O2
  1121 1,6-HexanediolC6H14O2
  1122 2,3-Dimethyl-2,3-butanediol C6H14O2
  1123 DihydoxyphenylboraneH7BC6O2
  1124 3-(2-Furanyl)-2-propenalC7H6O2
  1125 Benzoic acidC7H6O2
  1126 Phenyl formateC7H6O2
  1127 TropoloneC7H6O2
  1128 3-Methyl-1,2-benzenediolC7H8O2
  1129 4-Methyl 1,2-BenzenediolC7H8O2
  1130 Ethyl 2-methylene-3-butenoateC7H10O2
  1131 Ethyl 2-pentynoateC7H10O2
  1132 Ethyl 3-pentynoateC7H10O2


DHf: -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