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

di-isopropyl ether    785 Di-isopropyl ether

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    #  Species Formula
   775 3-Penten-2-oneC5H8O
   776 CyclopentanoneC5H8O
   777 Diethyl ketoneC5H10O
   778 TetrahydropyranC5H10O
   779 t-Butyl methyl etherC5H12O
   780 Phenoxy, anionC6H5O
   781 PhenolC6H6O
   782 4-Methyl-3-penten-2-oneC6H10O
   783 CyclohexanoneC6H10O
   784 Methyl neopentyl ketoneC6H12O
   785 Di-isopropyl ether C6H14O
   786 BenzaldehydeC7H6O
   787 AnisoleC7H8O
   788 m-CresolC7H8O
   789 o-CresolC7H8O
   790 p-CresolC7H8O
   791 2-Methyl-5-hexen-3-yn-2-olC7H10O
   792 2-NorbornanoneC7H10O
   793 cis-2,3-Epoxybicyclo[2.2.1]heptaneC7H10O
   794 Norbornan-7-oneC7H10O
   795 1-Methoxy cyclohexeneC7H12O


ΔHf: -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