return to home page Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All data (experiment and calculated) in the CCCBDB for NH2 (Amino radical)

1907021335
Other names
Amidogen; Amino radical;
INChI
InChI=1S/H2N/h1H2

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 x    
Energy 0K   784  
Energy 298.15K   475  
Atomization Enthalpy 298.15K x53x
Atomization Enthalpy 0K x56x
Entropy (298.15K) entropy x20x
Entropy at any temperature   20  
Integrated Heat Capacity integrated heat capacity x20x
Heat Capacity (Cp) Heat capacity x20x
Nuclear Repulsion Energy   748  
HOMO-LUMO Energies HOMO energies   599  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x703  
Internal Coordinates bond lengths bond angles x703x
Products of moments of inertia moments of inertia x712x
Rotational Constants rotational constants x722x
Point Group  750 
Vibrations Vibrational Frequencies vibrations fun. 459x
Vibrational Intensities  862 
Zero-point energies x459x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Raman frequencies and intensities   421  
Electronic States Electronic states x 0  
Electrostatics Atom charges   407  
Dipole dipole  536 
Quadrupole quadrupole  445 
Polarizability polarizability  434 
Other results Spin   746  
Number of basis functions   110  
Conformations   1