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 (Methyl propyl ether)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K
	Energy 0K		527
	Energy 298.15K		17
	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		528
	HOMO-LUMO Energies		481
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	528
	Internal Coordinates	x	528	x
	Products of moments of inertia	x	520	x
	Rotational Constants	x	528	x
	Point Group		530
Vibrations	Vibrational Frequencies		487
	Vibrational Intensities		464
	Zero-point energies		487
	Vibrational scaling factors
	Anharmonic frequencies and constants
	Raman frequencies and intensities		32
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		319
	Dipole	x	437	x
	Quadrupole		360
	Polarizability	x	376	x
Other results	Spin		0
	Number of basis functions		31
	Conformations		2	x