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

All data (experiment and calculated) in the CCCBDB for CSe- (Carbon monoselenide anion)


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      
Enthalpy 0K enthalpy of formation      
Energy 0K   228  
Energy 298.15K   9  
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   223  
HOMO-LUMO Energies HOMO energies   222  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  222  
Internal Coordinates bond lengths bond angles  222 
Products of moments of inertia moments of inertia  215 
Rotational Constants rotational constants  221 
Point Group  224 
Vibrations Vibrational Frequencies vibrations  221 
Vibrational Intensities  207 
Zero-point energies  221 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   123  
Dipole dipole  134 
Quadrupole quadrupole  132 
Polarizability polarizability  134 
Other results Spin   211  
Number of basis functions   4  
Diagnostics   1  
Conformations   1