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 BSi (Boron silicide)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K
	Energy 0K		1152
	Energy 298.15K		1114
	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		1107
	HOMO-LUMO Energies		986
	Barriers to Internal Rotation		0
Geometries	Cartesians		1115
	Internal Coordinates		1071
	Products of moments of inertia		1139
	Rotational Constants		1154
	Point Group		1157
Vibrations	Vibrational Frequencies		1153
	Vibrational Intensities		996
	Zero-point energies		1153
	Vibrational scaling factors
	Anharmonic frequencies and constants
	Raman frequencies and intensities		10
Electronic States	Electronic states	x	576
Electrostatics	Atom charges		685
	Dipole		898
	Quadrupole		744
	Polarizability		717
Other results	Spin		1155
	Number of basis functions		64
	Conformations		1