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 CH₂CHCH₂CH₂CH₃ (1-pentene)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K
	Energy 0K		462
	Energy 298.15K		448
	Atomization Enthalpy 298.15K	x	146	x
	Atomization Enthalpy 0K		148
	Entropy (298.15K)		146
	Entropy at any temperature		146
	Integrated Heat Capacity		146
	Heat Capacity (Cp)		146
	Nuclear Repulsion Energy		452
	HOMO-LUMO Energies		455
	Barriers to Internal Rotation		0
Geometries	Cartesians		446
	Internal Coordinates	x	444	x
	Products of moments of inertia	x	448	x
	Rotational Constants	x	459	x
	Point Group		459
Vibrations	Vibrational Frequencies		448
	Vibrational Intensities		454
	Zero-point energies		448
	Vibrational scaling factors
	Anharmonic frequencies and constants
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		309
	Dipole	x	322	x
	Quadrupole		312
	Polarizability	x	317	x
Other results	Spin		0
	Number of basis functions		9
	Conformations		2	x