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 CH₃CH₂OH (Ethanol)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		536
	Energy 298.15K		526
	Atomization Enthalpy 298.15K	x	97	x
	Atomization Enthalpy 0K	x	98	x
	Entropy (298.15K)	x	61	x
	Entropy at any temperature		61
	Integrated Heat Capacity	x	61	x
	Heat Capacity (Cp)	x	60	x
	Nuclear Repulsion Energy		515
	HOMO-LUMO Energies		499
	Barriers to Internal Rotation	x	1044	x
Geometries	Cartesians	x	486
	Internal Coordinates	x	486	x
	Products of moments of inertia	x	488	x
	Rotational Constants	x	493	x
	Point Group		497
Vibrations	Vibrational Frequencies	fun.	492	x
	Vibrational Intensities		697
	Zero-point energies	x	492	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
	Raman frequencies and intensities		415
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		384
	Dipole	x	428	x
	Quadrupole		384
	Polarizability	x	421	x
Other results	Spin		0
	Number of basis functions		35
	Conformations		2	x