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 CHONH₂ (formamide)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K
	Energy 0K		851
	Energy 298.15K		714
	Atomization Enthalpy 298.15K	x	46	x
	Atomization Enthalpy 0K		47
	Entropy (298.15K)		16
	Entropy at any temperature		16
	Integrated Heat Capacity		16
	Heat Capacity (Cp)		16
	Nuclear Repulsion Energy		810
	HOMO-LUMO Energies		735
	Barriers to Internal Rotation		719
Geometries	Cartesians	x	799
	Internal Coordinates	x	799	x
	Products of moments of inertia	x	789	x
	Rotational Constants	x	804	x
	Point Group		818
Vibrations	Vibrational Frequencies	fun.	794	x
	Vibrational Intensities		968
	Zero-point energies	x	794	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants		1
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		497
	Dipole	x	646	x
	Quadrupole	x	589	x
	Polarizability	x	573	x
Other results	Spin		0
	Number of basis functions		18
	Conformations		2	x