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

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

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K
	Enthalpy 0K	x
	Energy 0K		135
	Energy 298.15K		108
	Atomization Enthalpy 298.15K		106
	Atomization Enthalpy 0K	x	119	x
	Entropy (298.15K)		138
	Entropy at any temperature		138
	Integrated Heat Capacity		138
	Heat Capacity (Cp)		138
	Nuclear Repulsion Energy		148
	HOMO-LUMO Energies		143
	Barriers to Internal Rotation		0
Geometries	Cartesians		200
	Internal Coordinates	x	200	x
	Products of moments of inertia	x	140	x
	Rotational Constants	x	143	x
	Point Group		145
Vibrations	Vibrational Frequencies		140
	Vibrational Intensities		130
	Zero-point energies		140
	Vibrational scaling factors
	Anharmonic frequencies and constants		4
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		105
	Dipole	x	102	x
	Quadrupole		106
	Polarizability		92
Other results	Spin		0
	Number of basis functions		30
	Diagnostics		5
	Conformations		1