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 C₃H₁₀N₂ (1,2-Diaminopropane)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K
	Energy 0K		222
	Energy 298.15K		213
	Atomization Enthalpy 298.15K	x	154	x
	Atomization Enthalpy 0K		161
	Entropy (298.15K)		155
	Entropy at any temperature		155
	Integrated Heat Capacity		155
	Heat Capacity (Cp)		155
	Nuclear Repulsion Energy		211
	HOMO-LUMO Energies		208
	Barriers to Internal Rotation		0
Geometries	Cartesians		186
	Internal Coordinates		185
	Products of moments of inertia		202
	Rotational Constants		207
	Point Group		210
Vibrations	Vibrational Frequencies		205
	Vibrational Intensities		215
	Zero-point energies		205
	Vibrational scaling factors
	Anharmonic frequencies and constants		1
	Raman frequencies and intensities		0
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		176
	Dipole		183
	Quadrupole		123
	Polarizability		165
Other results	Spin		0
	Number of basis functions		6
	Conformations		1