CCCBDB listing of experimental data page 2

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Property	Value	Uncertainty	units	Reference
Hfg(298.15K)	318.29	11.00	kJ mol^-1	Gurvich
Hfg(0K)	317.98	11.00	kJ mol^-1	Gurvich
Entropy (298.15K)	193.55		J K^-1 mol^-1	Gurvich
Integrated Heat Capacity (0 to 298.15K)	10.00		kJ mol^-1	Gurvich
Heat Capacity (298.15K)	34.72		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
2	A₁	954		1979HUB/HER

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rBH	1.180		1	2			1966Herzberg
aHBH	131		2	1	3		1966Herzberg

Atom	y (Å)	z (Å)
B1	0.0000	0.0000
H2	0.4890	1.0740
H3	0.4890	-1.0740

	B1	H2	H3
B1		1.1801	1.1801
H2	1.1801		2.1480
H3	1.1801	2.1480

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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You are here: Experimental > One molecule all properties

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	²A₁	C_2v	True							C_2v	1	2

squib	reference	DOI
1966Herzberg	Herzberg, G., Electronic spectra and electronic structure of polyatomic molecules,Van Nostrand,New York, 1966
1979HUB/HER	Huber, K.P.; Herzberg, G., Molecular Spectra and Molecular Structure. IV. Constants of Diatomic Molecules, Van Nostrand Reinhold Co., 1979	10.1007/978-1-4757-0961-2
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 BH2 (boron dihydride)

Experimental data for BH₂ (boron dihydride)