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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   396  
Energy 298.15K   213  
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   383  
HOMO-LUMO Energies HOMO energies   209  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  362  
Internal Coordinates bond lengths bond angles  362 
Products of moments of inertia moments of inertia  369 
Rotational Constants rotational constants  379 
Point Group  385 
Vibrations Vibrational Frequencies vibrations x389x
Vibrational Intensities  387 
Zero-point energies x389x
Vibrational scaling factors x
Anharmonic frequencies and constants   2  
Electronic States Electronic states x 0  
Electrostatics Atom charges   263  
Dipole dipole  307 
Quadrupole quadrupole  256 
Polarizability polarizability  243 
Other results Spin   0  
Number of basis functions   30  
Diagnostics   4  
Conformations   2 x