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 ClONO (chlorine nitrite)

1907021335
Other names
Nitrosyl hypochlorite; hypochlorous nitrous anhydride; chlorine nitrite;
INChI
InChI=1S/ClNO2/c1-4-2-3

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   453  
Energy 298.15K   429  
Atomization Enthalpy 298.15K  0 
Atomization Enthalpy 0K  0 
Entropy (298.15K) entropy  0 
Entropy at any temperature   0  
Integrated Heat Capacity integrated heat capacity  0 
Heat Capacity (Cp) Heat capacity  0 
Nuclear Repulsion Energy   454  
HOMO-LUMO Energies HOMO energies   407  
Barriers to Internal Rotation internal rotation  323 
Geometries Cartesians  454  
Internal Coordinates bond lengths bond angles  454 
Products of moments of inertia moments of inertia x446x
Rotational Constants rotational constants x454x
Point Group  456 
Vibrations Vibrational Frequencies vibrations fun. 454x
Vibrational Intensities  414 
Zero-point energies  454 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Raman frequencies and intensities   5  
Electronic States Electronic states x 0  
Electrostatics Atom charges   277  
Dipole dipole  372 
Quadrupole quadrupole  291 
Polarizability polarizability  319 
Other results Spin   0  
Number of basis functions   30  
Conformations   2 x