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 CH₃OOCH₃ (dimethylperoxide)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K
	Energy 0K		319
	Energy 298.15K		239
	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)	x	0	x
	Nuclear Repulsion Energy		308
	HOMO-LUMO Energies		313
	Barriers to Internal Rotation		325
Geometries	Cartesians		310
	Internal Coordinates		308
	Products of moments of inertia		306
	Rotational Constants		310
	Point Group		316
Vibrations	Vibrational Frequencies		317
	Vibrational Intensities		315
	Zero-point energies		317
	Vibrational scaling factors
	Anharmonic frequencies and constants
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		199
	Dipole		205
	Quadrupole		200
	Polarizability		206
Other results	Spin		0
	Number of basis functions		7
	Conformations		2	x