PM7 Accuracy

isopropyl acetate   1093 Isopropyl acetate

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    #  Species Formula
  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 acetalC4H10O2
  1091 AcetylacetoneC5H8O2
  1092 Ethyl propionateC5H10O2
  1093 Isopropyl acetate C5H10O2
  1094 1,5 PentandiolC5H12O2
  1095 p-BenzoquinoneC6H4O2
  1096 p-Benzoquinone (Geo)C6H4O2
  1097 1,2-BenzenediolC6H6O2
  1098 HydroquinoneC6H6O2
  1099 ResorcinolC6H6O2
  1100 1,3-CyclohexanedioneC6H8O2
  1101 1,4-CyclohexanedioneC6H8O2
  1102 2,4-HexanedioneC6H10O2
  1103 2-OxepanoneC6H10O2


DHf: -115.1 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
Isopropyl acetate
 H=-115.1 HR=G3-99
  C     0.00917035  1  -0.01640056  1   0.01312171  1
  C     1.31642752  1  -0.69958833  1   0.23485759  1
  O     1.99092741  1  -0.78515856  1  -0.93374925  1
  C     3.28092464  1  -1.42720808  1  -0.92450572  1
  C     3.06811994  1  -2.93520911  1  -0.96332656  1
  C     3.94078475  1  -0.88948202  1  -2.19080419  1
  O     1.75109681  1  -1.12296616  1   1.27555632  1
  H    -0.08749991  1   0.85607302  1   0.67826658  1
  H    -0.11647024  1   0.33125057  1  -1.02374075  1
  H    -0.82415196  1  -0.69903640  1   0.24283233  1
  H     3.82574542  1  -1.11312258  1  -0.00550347  1
  H     2.57796324  1  -3.28548873  1  -0.04357472  1
  H     2.43186596  1  -3.22988151  1  -1.80611532  1
  H     4.01939281  1  -3.47004523  1  -1.05545713  1
  H     3.35059342  1  -1.13525904  1  -3.08294791  1
  H     4.02739671  1   0.20378042  1  -2.15688701  1
  H     4.94371049  1  -1.30846712  1  -2.32177287  1