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 C₃H₆O (Propylene oxide)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		284
	Energy 298.15K		279
	Atomization Enthalpy 298.15K	x	202	x
	Atomization Enthalpy 0K	x	201	x
	Entropy (298.15K)	x	173	x
	Entropy at any temperature		173
	Integrated Heat Capacity	x	173	x
	Heat Capacity (Cp)	x	173	x
	Nuclear Repulsion Energy		245
	HOMO-LUMO Energies		242
	Barriers to Internal Rotation	x	350	x
Geometries	Cartesians		220
	Internal Coordinates	x	0	x
	Products of moments of inertia	x	233	x
	Rotational Constants	x	238	x
	Point Group		239
Vibrations	Vibrational Frequencies	fun.	232	x
	Vibrational Intensities		245
	Zero-point energies		232
	Vibrational scaling factors
	Anharmonic frequencies and constants		1
	Raman frequencies and intensities		0
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		188
	Dipole	x	212	x
	Quadrupole		194
	Polarizability		177
Other results	Spin		0
	Number of basis functions		3
	Conformations		1