Accuracy

dimethyl acetal   1086 Dimethyl acetal

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    #  Species Formula
  1076 DiacetylC4H6O2
  1077 gamma ButyrolactoneC4H6O2
  1078 Methyl 2-propenoateC4H6O2
  1079 1,1 Dimethoxy etheneC4H8O2
  1080 1,3 DioxanC4H8O2
  1081 1,4-DioxaneC4H8O2
  1082 Ethyl acetateC4H8O2
  1083 1,2-DimethoxyethaneC4H10O2
  1084 1,4 ButandiolC4H10O2
  1085 Diethyl peroxideC4H10O2
  1086 Dimethyl acetal C4H10O2
  1087 AcetylacetoneC5H8O2
  1088 Ethyl propionateC5H10O2
  1089 Isopropyl acetateC5H10O2
  1090 1,5 PentandiolC5H12O2
  1091 p-BenzoquinoneC6H4O2
  1092 p-Benzoquinone (Geo)C6H4O2
  1093 1,2-BenzenediolC6H6O2
  1094 HydroquinoneC6H6O2
  1095 ResorcinolC6H6O2
  1096 1,3-CyclohexanedioneC6H8O2


ΔHf: -93.1 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
Dimethyl acetal
 H=-93.1 HR=G3-99
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.52769742 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     1.41205250 +1  104.2006217 +1    0.0000000 +0     2     1     0
  C     1.41138175 +1  115.9113526 +1 -158.6245918 +1     3     2     1
  O     1.41129629 +1  104.1317650 +1  115.4209121 +1     2     1     3
  C     1.41149659 +1  115.9207037 +1  160.2272424 +1     5     2     1
  H     1.09531098 +1  111.0040480 +1 -176.7807593 +1     1     2     3
  H     1.10104504 +1  110.3248337 +1  119.1202896 +1     1     2     7
  H     1.09532593 +1  110.9894691 +1  119.1039614 +1     1     2     8
  H     1.10669970 +1  114.8490886 +1  122.2910584 +1     2     1     5
  H     1.09442709 +1  110.5326991 +1  -72.0648221 +1     4     3     2
  H     1.09342476 +1  111.8028372 +1  124.3894246 +1     4     3    11
  H     1.09862715 +1  102.9609586 +1  118.2802664 +1     4     3    12
  H     1.09341569 +1  111.8422391 +1  -51.3149452 +1     6     5     2
  H     1.09455921 +1  110.3996302 +1  124.4299543 +1     6     5    14
  H     1.09849665 +1  103.0318102 +1  117.3399648 +1     6     5    15