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

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


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   231  
Energy 298.15K   209  
Atomization Enthalpy 298.15K  190 
Atomization Enthalpy 0K  189 
Entropy (298.15K) entropy  202 
Entropy at any temperature   202  
Integrated Heat Capacity integrated heat capacity  202 
Heat Capacity (Cp) Heat capacity  202 
Nuclear Repulsion Energy   224  
HOMO-LUMO Energies HOMO energies   224  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x224  
Internal Coordinates bond lengths bond angles x224x
Products of moments of inertia moments of inertia x218x
Rotational Constants rotational constants x223x
Point Group  225 
Vibrations Vibrational Frequencies vibrations x223x
Vibrational Intensities  204 
Zero-point energies x223x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   126  
Dipole dipole  125 
Quadrupole quadrupole  123 
Polarizability polarizability  127 
Other results Spin   9  
Number of basis functions   4  
Diagnostics   0  
Conformations   1