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 C₄H₄Se (selenophene)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K
	Enthalpy 0K
	Energy 0K		583
	Energy 298.15K		519
	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		583
	HOMO-LUMO Energies		509
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	566
	Internal Coordinates	x	566	x
	Products of moments of inertia	x	559	x
	Rotational Constants	x	566	x
	Point Group		584
Vibrations	Vibrational Frequencies	fun.	541	x
	Vibrational Intensities		504
	Zero-point energies		541
	Vibrational scaling factors
	Anharmonic frequencies and constants
	Raman frequencies and intensities		31
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		326
	Dipole	x	460	x
	Quadrupole		372
	Polarizability		386
Other results	Spin		0
	Number of basis functions		30
	Conformations		1