PM7 Accuracy

ethyl acetate   1086 Ethyl acetate

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    #  Species Formula
  1076 DimethoxymethaneC3H8O2
  1077 Propylene glycolC3H8O2
  1078 2-Butenoic acidC4H6O2
  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 acetate C4H8O2
  1087 1,2-DimethoxyethaneC4H10O2
  1088 1,4 ButandiolC4H10O2
  1089 Diethyl peroxideC4H10O2
  1090 Dimethyl acetalC4H10O2
  1091 AcetylacetoneC5H8O2
  1092 Ethyl propionateC5H10O2
  1093 Isopropyl acetateC5H10O2
  1094 1,5 PentandiolC5H12O2
  1095 p-BenzoquinoneC6H4O2
  1096 p-Benzoquinone (Geo)C6H4O2


DHf: -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