CCCBDB listing of experimental data page 2

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Property	Value	units	Reference	Comment
Hfg(298.15K)	125.52	kJ mol^-1	JANAF	estimate! No experimental data!
Hfg(0K)	127.22	kJ mol^-1	JANAF	estimate! No experimental data!
Entropy (298.15K)	173.10	J K^-1 mol^-1	JANAF
Integrated Heat Capacity (0 to 298.15K)	8.71	kJ mol^-1	JANAF
Heat Capacity (298.15K)	30.39	J K^-1 mol^-1	webbook

Mode Number	Symmetry	Frequency			Intensity			Comment	Description
Mode Number	Symmetry	Fundamental(cm^-1)	Harmonic(cm^-1)	Reference	(km mol^-1)	unc.	Reference	Comment	Description
2	Σ_u	2159		VEEL5
3	Π_u	698		VEEL5

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rBeH	1.326	0.000	1	2			2003Sha/Ter:3622	re
aHBeH	180		2	1	3		2003Sha/Ter:3622

Atom	x (Å)	y (Å)	z (Å)
Be1	0.0000	0.0000	0.0000
H2	0.0000	0.0000	1.3264
H3	0.0000	0.0000	-1.3264

	Be1	H2	H3
Be1		1.3264	1.3264
H2	1.3264		2.6528
H3	1.3264	2.6528

	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	¹Σ_g	D_∞h	True				0.000	NSRDS-NBS10		D_∞h	0	1

squib	reference	DOI
2003Sha/Ter:3622	A Shayesteh, K Tereszchuk, PF Bernath, R Colin "Infrared emission spectra of BeH2 and BeD2" J. Chem. Phys. 118(8) 3622, 2003	10.1063/1.1539850
HCP_Polar	TM Miller, Handbook of Chemistry and Physics Online (http://hbcponline.com/faces/documents/10_04/10_04_0001.xhtml)
JANAF	Chase, M.W., Jr.; Davies, C.A.; Downey, J.R., Jr.; Frurip, D.J.; McDonald, R.A.; Syverud, A.N., JANAF Thermochemical Tables (Third Edition), J. Phys. Chem. Ref. Data,Suppl. 1, 1985, 14, 1.
NSRDS-NBS10	R. D. Nelson Jr., D. R. Lide, A. A. Maryott "Selected Values of electric dipole moments for molecules in the gas phase" NSRDS-NBS10, 1967	10.6028/NBS.NSRDS.10
VEEL5	M.E. Jacox, Vibrational and Electronic Energy Levels of Polyatomic Transient Molecules, J. Phys. Chem.Ref. Data, Monograph 3 (1994) (updated data in NIST Chemistry Webbook - http://webbook.nist.gov/chemistry/
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)	10.18434/T4D303

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Experimental data for BeH2 (beryllium dihydride)

Experimental data for BeH₂ (beryllium dihydride)