return to home page Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
You are here: Home > All data for one species

All data (experiment and calculated) in the CCCBDB for NO- (nitric oxide anion)

1907021335
INChI
InChI=1S/NO/c1-2/q-1

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      
Enthalpy 0K enthalpy of formation      
Energy 0K   1005  
Energy 298.15K   968  
Atomization Enthalpy 298.15K  0 
Atomization Enthalpy 0K  0 
Entropy (298.15K) entropy  4 
Entropy at any temperature   4  
Integrated Heat Capacity integrated heat capacity  4 
Heat Capacity (Cp) Heat capacity  4 
Nuclear Repulsion Energy   971  
HOMO-LUMO Energies HOMO energies   878  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x884  
Internal Coordinates bond lengths bond angles x849x
Products of moments of inertia moments of inertia x978x
Rotational Constants rotational constants x991x
Point Group  996 
Vibrations Vibrational Frequencies vibrations fun. har.990x
Vibrational Intensities  1064 
Zero-point energies x990x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Raman frequencies and intensities   10  
Electronic States Electronic states x 292  
Electrostatics Atom charges   559  
Dipole dipole  674 
Quadrupole quadrupole  581 
Polarizability polarizability  592 
Other results Spin   700  
Number of basis functions   82  
Conformations   1