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I.B.3. (II.A.2.)

All data (experiment and calculated) in the CCCBDB for C2H3NO3 (Oxamic acid)

Other names
Acetic acid, aminooxo-; Formic acid, (aminocarbonyl)-; Formic acid, carbamoyl-; Glycine, 2-oxo-; Glyoxylic acid, amino-; OA; Oxalamic acid; Oxalic acid monoamide; Oxamate; Oxamate, (aminocarbonyl)-; Oxamic acid; Oxamidic acid; 2-amino-2-oxoacetic acid;
INChI
InChI=1/C2H3NO3/c3-1(4)2(5)6/h(H2,3,4)(H,5,6)

An "x" indicates that data is available. A number indicates how many calculations have been completed.
Property Experiment Calculated Comparison
Energies
Entropies
Enthalpy 298.15K enthalpy of formation x    
Enthalpy 0K enthalpy of formation      
Energy 0K   421  
Energy 298.15K   215  
Atomization Enthalpy 298.15K x199x
Atomization Enthalpy 0K  361 
Entropy (298.15K) entropy  189 
Entropy at any temperature   189  
Integrated Heat Capacity integrated heat capacity  189 
Heat Capacity (Cp) Heat capacity  189 
Nuclear Repulsion Energy   408  
HOMO-LUMO Energies HOMO energies   235  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  386  
Internal Coordinates bond lengths bond angles  386 
Products of moments of inertia moments of inertia  392 
Rotational Constants rotational constants  404 
Point Group  410 
Vibrations Vibrational Frequencies vibrations x411x
Vibrational Intensities  409 
Zero-point energies x411x
Vibrational scaling factors x
Anharmonic frequencies and constants   2  
Electronic States Electronic states x 0  
Electrostatics Atom charges   277  
Dipole dipole  322 
Quadrupole quadrupole  266 
Polarizability polarizability  257 
Other results Spin   0  
Number of basis functions   7  
Diagnostics   4  
Conformations   2 x