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 C₄H₆ (1-Methylcyclopropene)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		588
	Energy 298.15K		83
	Atomization Enthalpy 298.15K	x	65	x
	Atomization Enthalpy 0K	x	65	x
	Entropy (298.15K)	x	35	x
	Entropy at any temperature		35
	Integrated Heat Capacity	x	35	x
	Heat Capacity (Cp)	x	35	x
	Nuclear Repulsion Energy		552
	HOMO-LUMO Energies		550
	Barriers to Internal Rotation		350
Geometries	Cartesians		534
	Internal Coordinates	x	534	x
	Products of moments of inertia	x	535	x
	Rotational Constants	x	543	x
	Point Group		544
Vibrations	Vibrational Frequencies	fun.	529	x
	Vibrational Intensities		733
	Zero-point energies		529
	Vibrational scaling factors
	Anharmonic frequencies and constants
	Raman frequencies and intensities		410
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		391
	Dipole	x	506	x
	Quadrupole		430
	Polarizability		439
Other results	Spin		0
	Number of basis functions		35
	Conformations		1