PM7 Accuracy

tert-butyl ether    850 tert-Butyl ether

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    #  Species Formula
   840 3,3,4-Trimethyl pentan-2-oneC8H16O
   841 3-OctanoneC8H16O
   842 4-OctanoneC8H16O
   843 OctanalC8H16O
   844 1-OctanolC8H18O
   845 1-Tert-butoxybutaneC8H18O
   846 2-(1,1-Dimethylethoxy)-butaneC8H18O
   847 Di-n-butyl etherC8H18O
   848 Di-sec-butyl etherC8H18O
   849 sec-Butyl-tert-butyl etherC8H18O
   850 tert-Butyl ether C8H18O
   851 tert-Butyl isobutyl etherC8H18O
   852 3,4-Dihydro-1H-2-benzopyranC9H10O
   853 3,4-Dihydro-2H-1-benzopyranC9H10O
   854 Benzyl methyl ketoneC9H10O
   855 2(-1-Methylethyl)-phenolC9H12O
   856 2,4,6-Trimethyl phenolC9H12O
   857 3(-1-Methylethyl)-phenolC9H12O
   858 4-(-1-Methylethyl)-phenolC9H12O
   859 2,6,6-Trimethyl-2-cyclohexen-1-oneC9H14O
   860 Bicycle[3.3.1]nonan-9-one -check -3-oneC9H14O


DHf: -86.3 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
tert-Butyl ether
 H=-86.3 HR=NIST
  C    -0.03333080  1   0.06459084  1  -0.01102691  1
  C    -1.38736990  1  -0.62058467  1  -0.24913829  1
  O    -1.86435327  1  -1.17416587  1   0.95997020  1
  C    -2.55321065  1  -0.47251752  1   1.97503946  1
  C    -4.03627256  1  -0.33371731  1   1.60098612  1
  C    -2.39990242  1  -1.45952973  1   3.15363465  1
  C    -1.94065860  1   0.88031482  1   2.33942181  1
  C    -2.36914390  1   0.31751950  1  -0.95219557  1
  C    -1.18716960  1  -1.90111490  1  -1.08989139  1
  H    -0.14458199  1   1.07335192  1   0.39270325  1
  H     0.56408616  1  -0.51482710  1   0.70339885  1
  H     0.53930107  1   0.14265736  1  -0.94010245  1
  H    -4.22000210  1   0.51236276  1   0.93546432  1
  H    -4.38074846  1  -1.23963587  1   1.08774900  1
  H    -4.65650360  1  -0.19413556  1   2.49123542  1
  H    -2.76693039  1  -2.45282106  1   2.86824195  1
  H    -1.34560739  1  -1.57589779  1   3.42673212  1
  H    -2.95511293  1  -1.12213017  1   4.03062547  1
  H    -0.87043442  1   0.77967877  1   2.55270442  1
  H    -2.05534071  1   1.61372973  1   1.53634861  1
  H    -2.41736491  1   1.29486369  1   3.23427381  1
  H    -3.34718074  1  -0.16081621  1  -1.07671714  1
  H    -2.51868212  1   1.24819950  1  -0.39747428  1
  H    -2.00299561  1   0.58420743  1  -1.94955527  1
  H    -0.54491285  1  -2.61217676  1  -0.55680863  1
  H    -2.14481816  1  -2.40287075  1  -1.26376163  1
  H    -0.73059367  1  -1.67518295  1  -2.05507736  1