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 C₃H₆ (Cyclopropane)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		895
	Energy 298.15K		494
	Atomization Enthalpy 298.15K	x	96	x
	Atomization Enthalpy 0K	x	97	x
	Entropy (298.15K)	x	63	x
	Entropy at any temperature		63
	Integrated Heat Capacity	x	63	x
	Heat Capacity (Cp)	x	63	x
	Nuclear Repulsion Energy		866
	HOMO-LUMO Energies		867
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	837
	Internal Coordinates	x	837	x
	Products of moments of inertia	x	841	x
	Rotational Constants	x	846	x
	Point Group		850
Vibrations	Vibrational Frequencies	fun.	845	x
	Vibrational Intensities		1003
	Zero-point energies	x	845	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
	Raman frequencies and intensities		416
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		476
	Dipole	x	507	x
	Quadrupole	x	485	x
	Polarizability	x	523	x
Other results	Spin		0
	Number of basis functions		34
	Conformations		1