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 C₅H₆ (3-Penten-1-yne, (Z)-)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K
	Energy 0K		234
	Energy 298.15K		227
	Atomization Enthalpy 298.15K	x	168	x
	Atomization Enthalpy 0K		172
	Entropy (298.15K)		157
	Entropy at any temperature		157
	Integrated Heat Capacity		157
	Heat Capacity (Cp)		157
	Nuclear Repulsion Energy		211
	HOMO-LUMO Energies		212
	Barriers to Internal Rotation		0
Geometries	Cartesians		189
	Internal Coordinates		188
	Products of moments of inertia	x	205	x
	Rotational Constants	x	210	x
	Point Group		210
Vibrations	Vibrational Frequencies		208
	Vibrational Intensities		215
	Zero-point energies		208
	Vibrational scaling factors
	Anharmonic frequencies and constants		1
	Raman frequencies and intensities		0
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		177
	Dipole		182
	Quadrupole		176
	Polarizability		162
Other results	Spin		0
	Number of basis functions		6
	Conformations		1