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 C₃H₇NO (dimethylformamide)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K
	Energy 0K		294
	Energy 298.15K		265
	Atomization Enthalpy 298.15K	x	0	x
	Atomization Enthalpy 0K		0
	Entropy (298.15K)		0
	Entropy at any temperature		0
	Integrated Heat Capacity		0
	Heat Capacity (Cp)		0
	Nuclear Repulsion Energy		288
	HOMO-LUMO Energies		294
	Barriers to Internal Rotation		0
Geometries	Cartesians		294
	Internal Coordinates	x	292	x
	Products of moments of inertia		281
	Rotational Constants		294
	Point Group		297
Vibrations	Vibrational Frequencies		301
	Vibrational Intensities		506
	Zero-point energies		301
	Vibrational scaling factors
	Anharmonic frequencies and constants
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		202
	Dipole	x	210	x
	Quadrupole		198
	Polarizability	x	224	x
Other results	Spin		0
	Number of basis functions		35
	Conformations		3	x