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 CH₂NN (diazomethane)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		284
	Energy 298.15K		259
	Atomization Enthalpy 298.15K	x	179	x
	Atomization Enthalpy 0K	x	180	x
	Entropy (298.15K)		187
	Entropy at any temperature		187
	Integrated Heat Capacity		187
	Heat Capacity (Cp)		187
	Nuclear Repulsion Energy		273
	HOMO-LUMO Energies		272
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	261
	Internal Coordinates	x	261	x
	Products of moments of inertia	x	271	x
	Rotational Constants	x	276	x
	Point Group		277
Vibrations	Vibrational Frequencies	fun.	265	x
	Vibrational Intensities	x	271	x
	Zero-point energies	x	265	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants		1
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		171
	Dipole	x	180	x
	Quadrupole		174
	Polarizability		179
Other results	Spin		0
	Number of basis functions		9
	Conformations		1