Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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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		266
	Energy 298.15K		255
	Atomization Enthalpy 298.15K		169
	Atomization Enthalpy 0K		170
	Entropy (298.15K)		151
	Entropy at any temperature		151
	Integrated Heat Capacity		151
	Heat Capacity (Cp)		151
	Nuclear Repulsion Energy		237
	HOMO-LUMO Energies		241
	Barriers to Internal Rotation	x	300	x
Geometries	Cartesians	x	240
	Internal Coordinates	x	239	x
	Products of moments of inertia	x	238	x
	Rotational Constants	x	242	x
	Point Group		243
Vibrations	Vibrational Frequencies	fun.	238	x
	Vibrational Intensities		259
	Zero-point energies	x	238	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants		1
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		165
	Dipole	x	210	x
	Quadrupole		195
	Polarizability		193
Other results	Spin		0
	Number of basis functions		7
	Conformations		1