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

All data (experiment and calculated) in the CCCBDB for CH₃SeH (Methane selenol)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K
	Enthalpy 0K
	Energy 0K		205
	Energy 298.15K		190
	Atomization Enthalpy 298.15K		187
	Atomization Enthalpy 0K		189
	Entropy (298.15K)		169
	Entropy at any temperature		169
	Integrated Heat Capacity		169
	Heat Capacity (Cp)		169
	Nuclear Repulsion Energy		182
	HOMO-LUMO Energies		182
	Barriers to Internal Rotation	x	12	x
Geometries	Cartesians	x	182
	Internal Coordinates	x	182	x
	Products of moments of inertia	x	179	x
	Rotational Constants	x	182	x
	Point Group		184
Vibrations	Vibrational Frequencies		182
	Vibrational Intensities		177
	Zero-point energies		182
	Vibrational scaling factors
	Anharmonic frequencies and constants		4
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		124
	Dipole	x	151	x
	Quadrupole		149
	Polarizability		150
Other results	Spin		0
	Number of basis functions		25
	Diagnostics		4
	Conformations		1