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 C₉H₁₂ (n-propyl benzene)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K
	Energy 0K		263
	Energy 298.15K		232
	Atomization Enthalpy 298.15K		0
	Atomization Enthalpy 0K		0
	Entropy (298.15K)	x	0	x
	Entropy at any temperature		0
	Integrated Heat Capacity		0
	Heat Capacity (Cp)		0
	Nuclear Repulsion Energy		261
	HOMO-LUMO Energies		264
	Barriers to Internal Rotation		0
Geometries	Cartesians		264
	Internal Coordinates		263
	Products of moments of inertia		255
	Rotational Constants		263
	Point Group		265
Vibrations	Vibrational Frequencies		260
	Vibrational Intensities		265
	Zero-point energies		260
	Vibrational scaling factors
	Anharmonic frequencies and constants
	Raman frequencies and intensities		0
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		215
	Dipole		253
	Quadrupole		249
	Polarizability		249
Other results	Spin		0
	Number of basis functions		28
	Conformations		1