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 P(CH₃)₃ (trimethylphosphine)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K
	Enthalpy 0K
	Energy 0K		399
	Energy 298.15K		370
	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		401
	HOMO-LUMO Energies		356
	Barriers to Internal Rotation		0
Geometries	Cartesians		394
	Internal Coordinates		394
	Products of moments of inertia		386
	Rotational Constants		394
	Point Group		402
Vibrations	Vibrational Frequencies	fun.	377	x
	Vibrational Intensities		351
	Zero-point energies		377
	Vibrational scaling factors
	Anharmonic frequencies and constants
	Raman frequencies and intensities		4
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		237
	Dipole		317
	Quadrupole		262
	Polarizability		289
Other results	Spin		0
	Number of basis functions		29
	Conformations		1