CCCBDB listing of experimental data page 2

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Property	Value	Uncertainty	units	Reference
Hfg(298.15K)	564.13	60.00	kJ mol^-1	Gurvich
Hfg(0K)	560.72	60.00	kJ mol^-1	Gurvich
Entropy (298.15K)	212.78		J K^-1 mol^-1	Gurvich
Integrated Heat Capacity (0 to 298.15K)	8.96		kJ mol^-1	Gurvich
Heat Capacity (298.15K)	29.52		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	1490	1515	webbook

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rBN	1.325		1	2			Gurvich	re

Atom	x (Å)	y (Å)	z (Å)
B1	0.0000	0.0000	0.0000
N2	0.0000	0.0000	1.3250

	B1	N2
B1		1.3250
N2	1.3250

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Energy (cm^-1)	Degeneracy	reference	description
0	3		³Π
2170	1	Gurvich	¹Σ
4000	2	Gurvich
8800	3	Gurvich
10200	3	Gurvich
20500	2	Gurvich
26500	1	Gurvich
27852	6	Gurvich

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	³Π	C_∞v	True							C_∞v	1	1
2	1	¹Σ	C_∞v	True							C_∞v	1	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 BN (boron nitride)