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 C₂H₃⁺ (vinyl cation)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K
	Enthalpy 0K
	Energy 0K		1312
	Energy 298.15K		76
	Atomization Enthalpy 298.15K		0
	Atomization Enthalpy 0K		0
	Entropy (298.15K)		0
	Entropy at any temperature		0
	Integrated Heat Capacity		0
	Heat Capacity (Cp)		0
	Nuclear Repulsion Energy		1309
	HOMO-LUMO Energies		1150
	Barriers to Internal Rotation		0
Geometries	Cartesians		1308
	Internal Coordinates		1308
	Products of moments of inertia		1283
	Rotational Constants		1300
	Point Group		1311
Vibrations	Vibrational Frequencies	fun.	1314	x
	Vibrational Intensities		1570
	Zero-point energies		1314
	Vibrational scaling factors
	Anharmonic frequencies and constants
	Raman frequencies and intensities		716
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		728
	Dipole		944
	Quadrupole		798
	Polarizability		842
Other results	Spin		8
	Number of basis functions		133
	Conformations		2	x