CCCBDB listing of experimental data page 2

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Property	Value	Uncertainty	units	Reference
Hfg(298.15K)	836.17	15.00	kJ mol^-1	Gurvich
Hfg(0K)	829.81	15.00	kJ mol^-1	Gurvich
Entropy (298.15K)	202.06		J K^-1 mol^-1	Gurvich
Integrated Heat Capacity (0 to 298.15K)	8.81		kJ mol^-1	Gurvich
Heat Capacity (298.15K)	31.50		J K^-1 mol^-1	Gurvich

Mode Number	Symmetry	Frequency			Intensity			Comment	Description
Mode Number	Symmetry	Fundamental(cm^-1)	Harmonic(cm^-1)	Reference	(km mol^-1)	unc.	Reference	Comment	Description
1	Σ	1033	1060	2007Iri:389

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rBB	1.590		1	2			Gurvich	re

Atom	x (Å)	y (Å)	z (Å)
B1	0.0000	0.0000	0.0000
B2	0.0000	0.0000	1.5900

	B1	B2
B1		1.5900
B2	1.5900

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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State	Config	State description	Conf description	Exp. min.	Dipole (Debye)				Reference	comment	Point Group	Components
State	Config	State description	Conf description	Exp. min.	x	y	z	total	Reference	comment	Point Group	dipole	quadrupole
1	1	³Σ_g	D_∞h	True							D_∞h	0	1
2	1	¹Σ_g	D_∞h	True							D_∞h	0	1
3	1	⁵Σ_u	D_∞h	True							D_∞h	0	1

squib	reference	DOI
2007Iri:389	KK Irikura "Experimental Vibrational Zero-Point Energies: Diatomic Molecules" J. Phys. Chem. Ref. Data 36(2), 389, 2007	10.1063/1.2436891
Gurvich	Gurvich, L.V.; Veyts, I. V.; Alcock, C. B., Thermodynamic Properties of Individual Substances, Fouth Edition, Hemisphere Pub. Co., New York, 1989
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)	10.18434/T4D303

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Experimental data for B2+ (Boron diatomic cation)

Experimental data for B₂⁺ (Boron diatomic cation)