PM7 Accuracy

methyl ethyl ketone    768 Methyl ethyl ketone

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    #  Species Formula
   758 Methyl ethyl etherC3H8O
   759 PropanolC3H8O
   760 Acetyl acetyleneC4H4O
   761 FuranC4H4O
   762 Furan (Geo)C4H4O
   763 2,3-DihydrofuranC4H6O
   764 CrotonaldehydeC4H6O
   765 Divinyl etherC4H6O
   766 ButanalC4H8O
   767 IsobutanalC4H8O
   768 Methyl ethyl ketone C4H8O
   769 TetrahydrofuranC4H8O
   770 Diethyl etherC4H10O
   771 t-ButanolC4H10O
   772 C-C-C-C-C-O (Geo)C5O
   773 2,3-Dihydro-5-methyl-furanC5H8O
   774 2-EthylacroleinC5H8O
   775 3,4-Dihydro-2H-pyranC5H8O
   776 3-Penten-2-oneC5H8O
   777 CyclopentanoneC5H8O
   778 Diethyl ketoneC5H10O


DHf: -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