CCCBDB listing of experimental data page 2

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Property	Value	Uncertainty	units	Reference
Hfg(298.15K)	88.00	10.00	kJ mol^-1	Gurvich
Hfg(0K)	91.90	10.00	kJ mol^-1	Gurvich
Entropy (298.15K)	187.69		J K^-1 mol^-1	Gurvich
Integrated Heat Capacity (0 to 298.15K)	9.99		kJ mol^-1	Gurvich
Heat Capacity (298.15K)	34.78		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	A₂"	1148		VEEL5
3	E'	2602		VEEL5
4	E'	1197		VEEL5

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rBH	1.190		1	2			1998Kuc	r0 value

Atom	x (Å)	y (Å)
B1	0.0000	0.0000
H2	0.0000	1.1900
H3	1.0306	-0.5950
H4	-1.0306	-0.5950

	B1	H2	H3	H4
B1		1.1900	1.1900	1.1900
H2	1.1900		2.0612	2.0612
H3	1.1900	2.0612		2.0612
H4	1.1900	2.0612	2.0612

	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	¹A₁^'	D_3h	False				0.000	NSRDS-NBS10		D_3h	0	1
1	3	¹A₁	C_2v	False							C_2v	1	2

squib	reference	DOI
1992Kaw:3411	Kawaguchi, K. "Fourier transform infrared spectroscopy of the BH3 (nu)3 band." Journal of Chemical Physics. 96, 3411-3415 (1992)	10.1063/1.461942
1998Kuc	K Kuchitsu(ed) "Structure of Free Polyatomic Molecules - Basic Data" Springer, Berlin, 1998	10.1007/978-3-642-45748-7
Gurvich	Gurvich, L.V.; Veyts, I. V.; Alcock, C. B., Thermodynamic Properties of Individual Substances, Fouth Edition, Hemisphere Pub. Co., New York, 1989
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

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	B1	H3	120.000		H2	B1	H4	120.000
H3	B1	H4	120.000

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Experimental data for BH3 (boron trihydride)

Experimental data for BH₃ (boron trihydride)