CCCBDB listing of experimental data page 2

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Property	Value	Uncertainty	units	Reference
Hfg(298.15K)	-739.62	5.00	kJ mol^-1	Gurvich
Hfg(0K)	-736.00	5.00	kJ mol^-1	Gurvich
Entropy (298.15K)	244.32		J K^-1 mol^-1	Gurvich
Integrated Heat Capacity (0 to 298.15K)	10.66		kJ mol^-1	Gurvich
Heat Capacity (298.15K)	42.23		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	A₁	2621		VEEL5
2	A₁	1164		VEEL5
3	A₁	542		VEEL5
4	B₁	924		VEEL5
5	B₂	1402		webbook

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rBH	1.189		1	2			1976Hellwege(II/7)
rBF	1.311		1	3			1976Hellwege(II/7)
aFBF	118.3		3	1	4		1976Hellwege(II/7)
aHBF	120.85		2	1	3		1976Hellwege(II/7)	by symmetry

Atom	y (Å)	z (Å)
B1	0.0000	0.4547
H2	0.0000	1.6437
F3	1.1255	-0.2176
F4	-1.1255	-0.2176

	B1	H2	F3	F4
B1		1.1890	1.3110	1.3110
H2	1.1890		2.1751	2.1751
F3	1.3110	2.1751		2.2510
F4	1.3110	2.1751	2.2510

	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	C_2v	True			0.971	0.971	1968Kas/Laf:1-4	+- 0.01 D μ₀	C_2v	1	2

squib	reference	DOI
1968Kas/Laf:1-4	T Kasuya, WJ Lafferty, DR Lide "Microwave Spectrum, Structure, Boron Quadrupole Coupling Constants, and Dipole Moment of Difluoroborane" J. Chem. Phys. 48, 1 (1968)	10.1063/1.1664452
1976Hellwege(II/7)	Hellwege, KH and AM Hellwege (ed.). Landolt-Bornstein: Group II: Atomic and Molecular Physics Volume 7: Structure Data of Free Polyatomic Molecules. Springer-Verlag. Berlin. 1976.
1984Wes/Lew:227	Westwood, N.P.C.; Lewis-Bevan, W.; Gerry, M.C.L. "The Microwave Spectrum and Centrifugal Distortion Constants of Difluoroborane, HBF2." Journal of Molecular Spectroscopy. 106, 227-234 (1984)	10.1016/0022-2852(84)90095-X
Gurvich	Gurvich, L.V.; Veyts, I. V.; Alcock, C. B., Thermodynamic Properties of Individual Substances, Fouth Edition, Hemisphere Pub. Co., New York, 1989
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	F3	120.850		H2	B1	F4	120.850
F3	B1	F4	118.300

Bond Type	Count
H-B	1
B-F	2

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Experimental data for BHF2 (Difluoroborane)

Experimental data for BHF₂ (Difluoroborane)