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

All data (experiment and calculated) in the CCCBDB for CH3PH2 (Methyl phosphine)

Other names
Methylphosphine; Phosphine, methyl-;
INChI
InChI=1/CH5P/c1-2/h2H2,1H3

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   250  
Energy 298.15K   237  
Atomization Enthalpy 298.15K  232 
Atomization Enthalpy 0K  233 
Entropy (298.15K) entropy  201 
Entropy at any temperature   201  
Integrated Heat Capacity integrated heat capacity  201 
Heat Capacity (Cp) Heat capacity  201 
Nuclear Repulsion Energy   213  
HOMO-LUMO Energies HOMO energies   204  
Barriers to Internal Rotation internal rotation  14 
Geometries Cartesians  184  
Internal Coordinates bond lengths bond angles x184x
Products of moments of inertia moments of inertia  192 
Rotational Constants rotational constants  196 
Point Group  197 
Vibrations Vibrational Frequencies vibrations x195x
Vibrational Intensities  185 
Zero-point energies  195 
Vibrational scaling factors  
Anharmonic frequencies and constants   4  
Electronic States Electronic states x 0  
Electrostatics Atom charges   160  
Dipole dipole x152x
Quadrupole quadrupole  147 
Polarizability polarizability  138 
Other results Spin   0  
Number of basis functions   29  
Diagnostics   6  
Conformations   1