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 C₄H₁₀O (Ethanol, 1,1-dimethyl-)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		269
	Energy 298.15K		258
	Atomization Enthalpy 298.15K	x	165	x
	Atomization Enthalpy 0K	x	172	x
	Entropy (298.15K)	x	160	x
	Entropy at any temperature		160
	Integrated Heat Capacity	x	160	x
	Heat Capacity (Cp)	x	160	x
	Nuclear Repulsion Energy		253
	HOMO-LUMO Energies		252
	Barriers to Internal Rotation		325
Geometries	Cartesians		232
	Internal Coordinates		0
	Products of moments of inertia		245
	Rotational Constants		251
	Point Group		254
Vibrations	Vibrational Frequencies		249
	Vibrational Intensities		258
	Zero-point energies		249
	Vibrational scaling factors
	Anharmonic frequencies and constants		1
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		210
	Dipole	x	225	x
	Quadrupole		214
	Polarizability		200
Other results	Spin		0
	Number of basis functions		0
	Conformations		2	x