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 HNNNH⁺ (1,2-Triazadienium)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K
	Enthalpy 0K
	Energy 0K		616
	Energy 298.15K		10
	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		617
	HOMO-LUMO Energies		541
	Barriers to Internal Rotation		0
Geometries	Cartesians		617
	Internal Coordinates		617
	Products of moments of inertia		609
	Rotational Constants		617
	Point Group		618
Vibrations	Vibrational Frequencies		610
	Vibrational Intensities		536
	Zero-point energies		610
	Vibrational scaling factors
	Anharmonic frequencies and constants
	Raman frequencies and intensities		416
Electronic States	Electronic states		0
Electrostatics	Atom charges		341
	Dipole		486
	Quadrupole		395
	Polarizability		405
Other results	Spin		0
	Number of basis functions		35
	Conformations		1