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 CH (Methylidyne)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		971
	Energy 298.15K		330
	Atomization Enthalpy 298.15K	x	60	x
	Atomization Enthalpy 0K	x	63	x
	Entropy (298.15K)	x	24	x
	Entropy at any temperature		24
	Integrated Heat Capacity	x	24	x
	Heat Capacity (Cp)	x	24	x
	Nuclear Repulsion Energy		932
	HOMO-LUMO Energies		839
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	888
	Internal Coordinates	x	888	x
	Products of moments of inertia	x	890	x
	Rotational Constants	x	907	x
	Point Group		935
Vibrations	Vibrational Frequencies	fun. har.	901	x
	Vibrational Intensities		1041
	Zero-point energies		901
	Vibrational scaling factors
	Anharmonic frequencies and constants
	Raman frequencies and intensities		422
Electronic States	Electronic states	x	264
Electrostatics	Atom charges		563
	Dipole	x	693	x
	Quadrupole		597
	Polarizability		609
Other results	Spin		923
	Number of basis functions		95
	Conformations		1