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 C₃H₃N₃ (1,3,5-Triazine)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K
	Energy 0K		203
	Energy 298.15K		194
	Atomization Enthalpy 298.15K	x	134	x
	Atomization Enthalpy 0K		135
	Entropy (298.15K)		124
	Entropy at any temperature		124
	Integrated Heat Capacity		124
	Heat Capacity (Cp)		124
	Nuclear Repulsion Energy		178
	HOMO-LUMO Energies		176
	Barriers to Internal Rotation		0
Geometries	Cartesians		160
	Internal Coordinates	x	0	x
	Products of moments of inertia	x	176	x
	Rotational Constants	x	180	x
	Point Group		180
Vibrations	Vibrational Frequencies	fun.	175	x
	Vibrational Intensities		182
	Zero-point energies	x	175	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		147
	Dipole	x	154	x
	Quadrupole		145
	Polarizability		137
Other results	Spin		0
	Number of basis functions		5
	Conformations		1