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 CP- (carbon monophosphide anion)

1907021335
INChI
InChI=1S/CP/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   270  
Energy 298.15K   257  
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   262  
HOMO-LUMO Energies HOMO energies   265  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  265  
Internal Coordinates bond lengths bond angles  264 
Products of moments of inertia moments of inertia  255 
Rotational Constants rotational constants  263 
Point Group  266 
Vibrations Vibrational Frequencies vibrations  263 
Vibrational Intensities  254 
Zero-point energies  263 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Raman frequencies and intensities   5  
Electronic States Electronic states x 0  
Electrostatics Atom charges   150  
Dipole dipole  171 
Quadrupole quadrupole  166 
Polarizability polarizability  174 
Other results Spin   10  
Number of basis functions   29  
Conformations   1