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

All data (experiment and calculated) in the CCCBDB for CH2PH (H2CPH)

Other names
Phosphethene; methylenephosphine;

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 x    
Energy 0K   604  
Energy 298.15K   118  
Atomization Enthalpy 298.15K  106 
Atomization Enthalpy 0K x119x
Entropy (298.15K) entropy  138 
Entropy at any temperature   138  
Integrated Heat Capacity integrated heat capacity  138 
Heat Capacity (Cp) Heat capacity  138 
Nuclear Repulsion Energy   618  
HOMO-LUMO Energies HOMO energies   545  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  655  
Internal Coordinates bond lengths bond angles x655x
Products of moments of inertia moments of inertia x588x
Rotational Constants rotational constants x599x
Point Group  615 
Vibrations Vibrational Frequencies vibrations  593 
Vibrational Intensities  530 
Zero-point energies  593 
Vibrational scaling factors  
Anharmonic frequencies and constants   2  
Electronic States Electronic states x 0  
Electrostatics Atom charges   357  
Dipole dipole x437x
Quadrupole quadrupole  403 
Polarizability polarizability  344 
Other results Spin   0  
Number of basis functions   38  
Diagnostics   5  
Conformations   1