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 C₅H₇N (1H-Pyrrole, 1-methyl-)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K
	Energy 0K		211
	Energy 298.15K		205
	Atomization Enthalpy 298.15K	x	149	x
	Atomization Enthalpy 0K		150
	Entropy (298.15K)		141
	Entropy at any temperature		141
	Integrated Heat Capacity		141
	Heat Capacity (Cp)	x	141	x
	Nuclear Repulsion Energy		198
	HOMO-LUMO Energies		196
	Barriers to Internal Rotation		0
Geometries	Cartesians		175
	Internal Coordinates		174
	Products of moments of inertia		196
	Rotational Constants		200
	Point Group		200
Vibrations	Vibrational Frequencies		194
	Vibrational Intensities		203
	Zero-point energies		194
	Vibrational scaling factors
	Anharmonic frequencies and constants		1
	Raman frequencies and intensities		0
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		172
	Dipole		176
	Quadrupole		170
	Polarizability		159
Other results	Spin		0
	Number of basis functions		5
	Conformations		1