PM7 Accuracy

5,5-dimethyl-2-phenyl-1,3-dioxane   1198 5,5-Dimethyl-2-phenyl-1,3-dioxane

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    #  Species Formula
  1188 1,10-DecanediolC10H22O2
  1189 1-Naphthoic acidC11H8O2
  1190 Isonaphthoic acidC11H8O2
  1191 2,3,4,5-Tetramethylbenzoic acidC11H14O2
  1192 2,3,4,6-Tetramethylbenzoic acidC11H14O2
  1193 2,3,5,6-Tetramethylbenzoic acidC11H14O2
  1194 p-tert-Butyl benzoic acidC11H14O2
  1195 Oxacyclododecan-2-oneC11H20O2
  1196 Ethyl nonanoateC11H22O2
  1197 1,1-DibutoxypropaneC11H24O2
  1198 5,5-Dimethyl-2-phenyl-1,3-dioxane C12H16O2
  1199 Pentamethylbenzoic acidC12H16O2
  1200 2,2,6,6-Tetramethyl-3,5-heptanedioneC12H22O2
  1201 Ethyl decanoateC12H24O2
  1202 XanthoneC13H8O2
  1203 Phenyl benzoateC13H10O2
  1204 9,10-AnthroquinoneC14H8O2
  1205 9,10-PhenanthroquinoneC14H8O2
  1206 Nitrogen dioxide, cationNO2
  1207 Nitrogen dioxideNO2
  1208 Nitrogen dioxide (Geo)NO2


DHf: -74.4 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
5,5-Dimethyl-2-phenyl-1,3-dioxane
 H=-74.4 HR=NIST
  C     0.00696331  1   0.00665583  1   0.00528792  1
  C     1.39534020  1  -0.10288438  1   0.03161540  1
  C     2.13733693  1   0.76276043  1   0.83463776  1
  C     1.50365607  1   1.73479325  1   1.60667389  1
  C     0.11385986  1   1.84047710  1   1.57676824  1
  C    -0.63242958  1   0.97669167  1   0.77724448  1
  C     3.63464057  1   0.64588730  1   0.86891261  1
  O     3.97170769  1   0.41142764  1   2.22298320  1
  C     5.36864800  1   0.40051389  1   2.44695879  1
  C     6.01167221  1   1.72567253  1   1.98908056  1
  C     5.53691340  1   1.99918111  1   0.54704584  1
  O     4.12877587  1   1.90378402  1   0.45018550  1
  C     7.53578896  1   1.59106742  1   2.01103640  1
  C     5.55634815  1   2.86220821  1   2.90513898  1
  H    -0.57759768  1  -0.66583122  1  -0.61834796  1
  H     1.89407696  1  -0.85907209  1  -0.56988563  1
  H     2.10174137  1   2.40274342  1   2.22789563  1
  H    -0.38605730  1   2.59695984  1   2.17746368  1
  H    -1.71717447  1   1.05820822  1   0.75487916  1
  H     4.06313074  1  -0.15660381  1   0.23112177  1
  H     5.43383862  1   0.26041126  1   3.54120306  1
  H     5.81106847  1  -0.47455953  1   1.94117926  1
  H     5.72721941  1   3.04188869  1   0.23502221  1
  H     5.99867025  1   1.31046995  1  -0.18065557  1
  H     8.02229257  1   2.51549163  1   1.67842360  1
  H     7.88565994  1   0.78260907  1   1.36006399  1
  H     7.90404088  1   1.38118716  1   3.02218236  1
  H     5.97201089  1   3.82682595  1   2.59703816  1
  H     4.45940306  1   2.95209464  1   2.88053597  1
  H     5.84840324  1   2.68999470  1   3.94576886  1