PM7 Accuracy

dimethyl acetal   1090 Dimethyl acetal

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    #  Species Formula
  1080 DiacetylC4H6O2
  1081 gamma ButyrolactoneC4H6O2
  1082 Methyl 2-propenoateC4H6O2
  1083 1,1 Dimethoxy etheneC4H8O2
  1084 1,3 DioxanC4H8O2
  1085 1,4-DioxaneC4H8O2
  1086 Ethyl acetateC4H8O2
  1087 1,2-DimethoxyethaneC4H10O2
  1088 1,4 ButandiolC4H10O2
  1089 Diethyl peroxideC4H10O2
  1090 Dimethyl acetal C4H10O2
  1091 AcetylacetoneC5H8O2
  1092 Ethyl propionateC5H10O2
  1093 Isopropyl acetateC5H10O2
  1094 1,5 PentandiolC5H12O2
  1095 p-BenzoquinoneC6H4O2
  1096 p-Benzoquinone (Geo)C6H4O2
  1097 1,2-BenzenediolC6H6O2
  1098 HydroquinoneC6H6O2
  1099 ResorcinolC6H6O2
  1100 1,3-CyclohexanedioneC6H8O2


DHf: -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