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

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

INChI
InChI=1S/CSe/c1-2

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   220  
Energy 298.15K   207  
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   213  
HOMO-LUMO Energies HOMO energies   213  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x213  
Internal Coordinates bond lengths bond angles x213x
Products of moments of inertia moments of inertia x210x
Rotational Constants rotational constants x213x
Point Group  214 
Vibrations Vibrational Frequencies vibrations x213x
Vibrational Intensities  194 
Zero-point energies x213x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   120  
Dipole dipole  120 
Quadrupole quadrupole  120 
Polarizability polarizability  121 
Other results Spin   11  
Number of basis functions   25  
Diagnostics   0  
Conformations   1