PM7 Accuracy

di-isopropyl ether    786 Di-isopropyl ether

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    #  Species Formula
   776 3-Penten-2-oneC5H8O
   777 CyclopentanoneC5H8O
   778 Diethyl ketoneC5H10O
   779 TetrahydropyranC5H10O
   780 t-Butyl methyl etherC5H12O
   781 Phenoxy, anionC6H5O
   782 PhenolC6H6O
   783 4-Methyl-3-penten-2-oneC6H10O
   784 CyclohexanoneC6H10O
   785 Methyl neopentyl ketoneC6H12O
   786 Di-isopropyl ether C6H14O
   787 BenzaldehydeC7H6O
   788 AnisoleC7H8O
   789 m-CresolC7H8O
   790 o-CresolC7H8O
   791 p-CresolC7H8O
   792 2-Methyl-5-hexen-3-yn-2-olC7H10O
   793 2-NorbornanoneC7H10O
   794 cis-2,3-Epoxybicyclo[2.2.1]heptaneC7H10O
   795 Norbornan-7-oneC7H10O
   796 1-Methoxy cyclohexeneC7H12O


DHf: -76.3 kcal/mol,     REF: Assessment of Gaussian-3 and Density Functional Theories for a Larger Test Set" L. A. Curtiss, K. Raghavachari, P. C. Redfern, and J. A. Pople, Journal of Chemical Physics, 112, 7374 (2000).
  
 PM7
Di-isopropyl ether
 H=-76.3 HR=G3-99
  C     0.10883275  1   0.03895494  1   0.08378618  1
  C     1.06348275  1  -1.04906807  1  -0.41163341  1
  C     0.50075565  1  -1.79016038  1  -1.62610215  1
  O     2.35613856  1  -0.54342058  1  -0.65402081  1
  C     2.51531938  1   0.43650968  1  -1.67189304  1
  C     3.10029341  1   1.67119443  1  -0.97889093  1
  C     3.50209107  1  -0.16189621  1  -2.67889209  1
  H     0.57485581  1   0.61912911  1   0.88954526  1
  H    -0.16475700  1   0.74190279  1  -0.70862876  1
  H    -0.81631515  1  -0.39724933  1   0.47414538  1
  H     1.30152751  1  -1.76869876  1   0.41252409  1
  H     0.25584285  1  -1.10968390  1  -2.44711391  1
  H     1.23180144  1  -2.51352598  1  -2.00742891  1
  H    -0.41110613  1  -2.33745347  1  -1.36722105  1
  H     1.54713433  1   0.67565055  1  -2.15861871  1
  H     2.39977398  1   2.07462238  1  -0.24064503  1
  H     4.01873106  1   1.41156687  1  -0.43709149  1
  H     3.33848666  1   2.45882754  1  -1.69802544  1
  H     4.43016202  1  -0.46460019  1  -2.17706280  1
  H     3.08771496  1  -1.06099644  1  -3.14682749  1
  H     3.75584874  1   0.55375785  1  -3.46496662  1