Accuracy

gamma butyrolactone   1077 gamma Butyrolactone

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    #  Species Formula
  1067 Ethyl formateC3H6O2
  1068 Methyl acetateC3H6O2
  1069 Propionic acidC3H6O2
  1070 1,3-PropanediolC3H8O2
  1071 2-MethoxyethanolC3H8O2
  1072 DimethoxymethaneC3H8O2
  1073 Propylene glycolC3H8O2
  1074 2-Butenoic acidC4H6O2
  1075 2-Methyl-2-propenic acidC4H6O2
  1076 DiacetylC4H6O2
  1077 gamma Butyrolactone C4H6O2
  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 peroxideC4H10O2
  1086 Dimethyl acetalC4H10O2
  1087 AcetylacetoneC5H8O2


ΔHf: -87.0 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
gamma Butyrolactone
 H=-87 HR=NIST
  O     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.42953510 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.53993778 +1  108.1916469 +1    0.0000000 +0     2     1     0
  C     1.53124678 +1  104.5891543 +1    0.1450422 +1     3     2     1
  C     1.37149237 +1  111.1196973 +1   -0.0934739 +1     1     2     3
  O     1.19708136 +1  119.5091102 +1 -179.9651834 +1     5     1     2
  H     1.10218675 +1  105.3514224 +1 -121.8415073 +1     2     1     5
  H     1.10219134 +1  105.3698681 +1  121.6361197 +1     2     1     5
  H     1.10318582 +1  111.3953728 +1 -120.8095042 +1     3     2     1
  H     1.10315926 +1  111.4127194 +1  121.0990948 +1     3     2     1
  H     1.10643369 +1  112.6402929 +1 -120.3577992 +1     4     3     2
  H     1.10645429 +1  112.6446429 +1  120.1714437 +1     4     3     2