Accuracy

ethyl acetate   1082 Ethyl acetate

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    #  Species Formula
  1072 DimethoxymethaneC3H8O2
  1073 Propylene glycolC3H8O2
  1074 2-Butenoic acidC4H6O2
  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 acetate C4H8O2
  1083 1,2-DimethoxyethaneC4H10O2
  1084 1,4 ButandiolC4H10O2
  1085 Diethyl peroxideC4H10O2
  1086 Dimethyl acetalC4H10O2
  1087 AcetylacetoneC5H8O2
  1088 Ethyl propionateC5H10O2
  1089 Isopropyl acetateC5H10O2
  1090 1,5 PentandiolC5H12O2
  1091 p-BenzoquinoneC6H4O2
  1092 p-Benzoquinone (Geo)C6H4O2


ΔHf: -106.5 kcal/mol,     REF: NIST Chemistry WebBook, NIST Standard Reference Database, No. 69; W. G. Mallard, P. J. Linstrom, Eds., National Institute of Standards and Technology, Gaithersberg, http://webbook.nist.gov/chemistry.
  
 PM7
Ethyl acetate
 H=-106.46 HR=NIST
  O     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.24364737 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.20392600 +1   30.6891237 +1    0.0000000 +0     1     2     0
  C     1.49032143 +1  127.8411480 +1  179.9859576 +1     3     1     2
  C     1.43653966 +1   89.2802276 +1 -179.9928971 +1     2     1     3
  C     1.51929967 +1  104.2504438 +1  179.9766656 +1     5     2     1
  H     1.10126525 +1  111.3925738 +1  121.2173317 +1     4     3     1
  H     1.10123395 +1  111.3420371 +1  119.1899352 +1     4     3     7
  H     1.10135849 +1  110.8509464 +1  120.3898685 +1     4     3     8
  H     1.10443305 +1  108.4132448 +1  120.6966819 +1     5     2     6
  H     1.10449136 +1  108.4040301 +1  118.6274741 +1     5     2    10
  H     1.09803337 +1  111.3255536 +1  -59.9167415 +1     6     5     2
  H     1.09810920 +1  111.3128411 +1  119.0763869 +1     6     5    12
  H     1.09585821 +1  111.1467400 +1  120.4572433 +1     6     5    13