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 ClCOClCO (Oxalyl chloride)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K
	Energy 0K		447
	Energy 298.15K		390
	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		433
	HOMO-LUMO Energies		415
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	447
	Internal Coordinates	x	447	x
	Products of moments of inertia		439
	Rotational Constants		447
	Point Group		449
Vibrations	Vibrational Frequencies		446
	Vibrational Intensities		419
	Zero-point energies		446
	Vibrational scaling factors
	Anharmonic frequencies and constants
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		282
	Dipole		380
	Quadrupole		314
	Polarizability		334
Other results	Spin		0
	Number of basis functions		29
	Conformations		1