Accuracy

diethyl peroxide   1085 Diethyl peroxide

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    #  Species Formula
  1075 2-Methyl-2-propenic acidC4H6O2
  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 peroxide C4H10O2
  1086 Dimethyl acetalC4H10O2
  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


ΔHf: -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