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 (Cyclopropylacetylene)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K
	Energy 0K		241
	Energy 298.15K		238
	Atomization Enthalpy 298.15K	x	177	x
	Atomization Enthalpy 0K		176
	Entropy (298.15K)		171
	Entropy at any temperature		171
	Integrated Heat Capacity		171
	Heat Capacity (Cp)		170
	Nuclear Repulsion Energy		234
	HOMO-LUMO Energies		215
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	208
	Internal Coordinates	x	207	x
	Products of moments of inertia	x	221	x
	Rotational Constants	x	227	x
	Point Group		227
Vibrations	Vibrational Frequencies		226
	Vibrational Intensities		237
	Zero-point energies		226
	Vibrational scaling factors
	Anharmonic frequencies and constants		1
	Raman frequencies and intensities		0
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		178
	Dipole	x	188	x
	Quadrupole		181
	Polarizability		166
Other results	Spin		0
	Number of basis functions		3
	Conformations		1