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 C₆H₁₂ (3-methylenepentane)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K
	Energy 0K		94
	Energy 298.15K		86
	Atomization Enthalpy 298.15K	x	31	x
	Atomization Enthalpy 0K		30
	Entropy (298.15K)		23
	Entropy at any temperature		23
	Integrated Heat Capacity		23
	Heat Capacity (Cp)	x	23	x
	Nuclear Repulsion Energy		83
	HOMO-LUMO Energies		85
	Barriers to Internal Rotation		0
Geometries	Cartesians		58
	Internal Coordinates		57
	Products of moments of inertia		80
	Rotational Constants		84
	Point Group		84
Vibrations	Vibrational Frequencies		81
	Vibrational Intensities		80
	Zero-point energies		81
	Vibrational scaling factors
	Anharmonic frequencies and constants
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		72
	Dipole		70
	Quadrupole		65
	Polarizability		72
Other results	Spin		0
	Number of basis functions		6
	Conformations		1