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 CH₂NH (Methanimine)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K
	Enthalpy 0K	x
	Energy 0K		711
	Energy 298.15K		92
	Atomization Enthalpy 298.15K		48
	Atomization Enthalpy 0K	x	48	x
	Entropy (298.15K)		21
	Entropy at any temperature		21
	Integrated Heat Capacity		21
	Heat Capacity (Cp)		21
	Nuclear Repulsion Energy		679
	HOMO-LUMO Energies		576
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	635
	Internal Coordinates	x	635	x
	Products of moments of inertia	x	637	x
	Rotational Constants	x	647	x
	Point Group		677
Vibrations	Vibrational Frequencies	fun.	639	x
	Vibrational Intensities		796
	Zero-point energies	x	639	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants		1
	Raman frequencies and intensities		10
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		371
	Dipole	x	490	x
	Quadrupole		399
	Polarizability		431
Other results	Spin		0
	Number of basis functions		41
	Conformations		1