return to home page

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

All data (experiment and calculated) in the CCCBDB for NH2 (Amino radical)

Other names
Amidogen; Amino radical;

An "x" indicates that data is available. A number indicates how many calculations have been completed.
Property Experiment Calculated Comparison
Enthalpy 298.15K enthalpy of formation x    
Enthalpy 0K enthalpy of formation x    
Energy 0K   320  
Energy 298.15K   290  
Atomization Enthalpy 298.15K x286x
Atomization Enthalpy 0K x292x
Entropy (298.15K) entropy x247x
Entropy at any temperature   247  
Integrated Heat Capacity integrated heat capacity x247x
Heat Capacity (Cp) Heat capacity x247x
Nuclear Repulsion Energy   272  
HOMO-LUMO Energies HOMO energies   268  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x228  
Internal Coordinates bond lengths bond angles x228x
Products of moments of inertia moments of inertia x246x
Rotational Constants rotational constants x250x
Point Group  251 
Vibrations Vibrational Frequencies vibrations x249x
Vibrational Intensities  224 
Zero-point energies x249x
Vibrational scaling factors x
Anharmonic frequencies and constants   2  
Electronic States Electronic states x 0  
Electrostatics Atom charges   184  
Dipole dipole  166 
Quadrupole quadrupole  167 
Polarizability polarizability  149 
Other results Spin   176  
Number of basis functions   8  
Diagnostics   6  
Conformations   1