PM7 Accuracy Date:Mon Feb 11 04:20:05 2019

methyl formate   1058 Methyl formate

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    #  Species Formula
  1048 Carbon dioxideCO2
  1049 Carbon dioxide (Geo)CO2
  1050 Formate, anionHCO2
  1051 Formic acidCH2O2
  1052 Formic acid (Geo)CH2O2
  1053 trans Glyoxal (Geo)C2H2O2
  1054 trans GlyoxalC2H2O2
  1055 Acetate, anionC2H3O2
  1056 Acetic acidC2H4O2
  1057 Methyl formate (Geo)C2H4O2
  1058 Methyl formate C2H4O2
  1059 Dimethyl peroxideC2H6O2
  1060 Ethylene glycolC2H6O2
  1061 H2O - CH3OCH3 (Geo)C2H8O2
  1062 DimethoxyboraneH7BC2O2
  1063 Carbon suboxide (Geo)C3O2
  1064 Carbon suboxideC3O2
  1065 2-Oxo-propanalC3H4O2
  1066 2-Propenoic acidC3H4O2
  1067 beta-PropiolactoneC3H4O2
  1068 1,3-DioxalaneC3H6O2


ΔHf: -83.6 kcal/mol,     REF: D. R. Stull, E. F. Westrum, Jr., G. C. Sinke, "The Chemical Thermodynamics of Organic Compounds," Wiley, New York, N.Y., 1969.
Dipole: 1.8 Debye,     REF: R. D. Nelson, D. R. Lide, A. A. Maryott, Nat. Stand. Ref. Data Set., Natl. Bur. Stand. No. 10 (1967).
I.P.: 11.0 eV,     REF: D. A. Sweigart, D. W. Turner, J. Am. Chem. Soc., 94, 5592 (1972).
  
 SYMMETRY PM7
Methyl formate
 DR=NLM1967 I=11.02 IR=ST1972 D=1.77 H=-83.6000 HR=SWS1969
  O     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.20124667 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     1.35167167 +1  123.2046337 +1    0.0000000 +0     2     1     0
  C     1.42282127 +1  116.9104847 +1    0.0000000 +0     3     2     1
  H     1.08929783 +1  128.9276146 +1  180.0000000 +0     2     1     3
  H     1.09679863 +1  103.2144782 +1  180.0000000 +0     4     3     2
 XX     1.00000000 +0  128.7891454 +1    0.0000000 +0     4     3     2
  H     1.09513482 +1   55.1798541 +1   88.7928844 +1     4     7     3
  H     1.09513482 +0   55.1798541 +0  -88.7928844 +0     4     7     3