PM7 Accuracy

diethyl peroxide   1089 Diethyl peroxide

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    #  Species Formula
  1079 2-Methyl-2-propenic acidC4H6O2
  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 peroxide C4H10O2
  1090 Dimethyl acetalC4H10O2
  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


DHf: -46.1 kcal/mol,     REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
  
 NOINTER NOXYZ PM7
Diethyl peroxide
 H=-46.1 HR=C&P1970
  C    -0.02595625  1  -0.04088679  1  -0.06623967  1
  C     1.45205928  1  -0.35871481  1  -0.25671519  1
  O     2.23612985  1   0.81441730  1  -0.21648225  1
  O     2.11853496  1   1.41265694  1  -1.52660303  1
  C     2.16405883  1   2.80850830  1  -1.32030847  1
  C     0.81907552  1   3.33943081  1  -0.83963502  1
  H     0.82616861  1   4.42930028  1  -0.74291039  1
  H     0.56433076  1   2.91392330  1   0.14001181  1
  H     0.01303536  1   3.06353156  1  -1.52942381  1
  H     2.42512647  1   3.17714978  1  -2.33158229  1
  H     2.98107581  1   3.06625206  1  -0.62319798  1
  H     1.87048491  1  -0.94033851  1   0.58817732  1
  H     1.63508880  1  -0.91112744  1  -1.19599966  1
  H    -0.40126604  1   0.56703217  1  -0.90017970  1
  H    -0.63011526  1  -0.95148229  1  -0.01304469  1
  H    -0.19392022  1   0.53382719  1   0.85195692  1