Accuracy

methyl ethyl ketone    765 Methyl ethyl ketone

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    #  Species Formula
   755 Methyl ethyl etherC3H8O
   756 PropanolC3H8O
   757 Acetyl acetyleneC4H4O
   758 FuranC4H4O
   759 Furan (Geo)C4H4O
   760 2,3-DihydrofuranC4H6O
   761 CrotonaldehydeC4H6O
   762 Divinyl etherC4H6O
   763 ButanalC4H8O
   764 IsobutanalC4H8O
   765 Methyl ethyl ketone C4H8O
   766 TetrahydrofuranC4H8O
   767 Diethyl etherC4H10O
   768 t-ButanolC4H10O
   769 C-C-C-C-C-O (Geo)C5O
   770 2,3-Dihydro-5-methyl-furanC5H8O
   771 2-EthylacroleinC5H8O
   772 3,4-Dihydro-2H-pyranC5H8O
   773 3-Penten-2-oneC5H8O
   774 CyclopentanoneC5H8O
   775 Diethyl ketoneC5H10O


ΔHf: -57.1 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
Methyl ethyl ketone
 H=-57.1 HR=G3-99
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.50304192 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.51074648 +1  116.0562004 +1    0.0000000 +0     2     1     0
  C     1.52420658 +1  111.1871101 +1 -179.8620609 +1     3     2     1
  O     1.20412333 +1  121.4163664 +1 -179.9874764 +1     2     1     3
  H     1.09673263 +1  111.6225285 +1  -59.6772253 +1     1     2     3
  H     1.09683196 +1  111.5507659 +1  120.7129763 +1     1     2     6
  H     1.10120560 +1  111.0690204 +1  119.5865266 +1     1     2     7
  H     1.10854458 +1  109.6053271 +1  122.3116540 +1     3     2     4
  H     1.10871419 +1  109.5888206 +1  115.4449691 +1     3     2     9
  H     1.09849072 +1  111.2917424 +1  -59.4491256 +1     4     3     2
  H     1.09854952 +1  111.2770425 +1  118.3511750 +1     4     3    11
  H     1.09461103 +1  111.7488798 +1  120.8054232 +1     4     3    12