CCCBDB listing of experimental data page 2

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Property	Value	units	Reference
Hfg(298.15K)	-885.33	kJ mol^-1	webbook
Hfg(0K)		kJ mol^-1	webbook
Entropy (298.15K)	274.82	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
1	A₁	1242		1969Wol/Hum:293-303				¹¹B ³⁵Cl	BF₂ s-str
2	A₁	696							BCl stretch
3	A₁	427							BF₂ sciss
4	B₁	604						B1 and B2 switched	OPLA
5	B₂	1421						B1 and B2 switched	BF₂ a-str
6	B₂	366						B1 and B2 switched	BCl bend

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rBCl	1.728	0.009	1	2			1977Kro/Mai:280-288
rBF	1.315	0.006	1	3			1977Kro/Mai:280-288
aFBF	118.1	0.5	3	1	4		1977Kro/Mai:280-288
aBFCl	120.95		2	1	3			by symmetry

Atom	y (Å)	z (Å)
B1	0.0000	-0.4130
Cl2	0.0000	1.3150
F3	1.1280	-0.6760
F4	-1.1280	-0.6760

	B1	Cl2	F3	F4
B1		1.7280	1.1583	1.1583
Cl2	1.7280		2.2883	2.2883
F3	1.1583	2.2883		2.2560
F4	1.1583	2.2883	2.2560

	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							C_2v	1	2

squib	reference	DOI
1969Wol/Hum:293-303	DF Wolfe, GL Humphrey "Force constants for pure and mixed halides of boron" J. Mol. Struct. 3, 1969, 293-303	10.1016/0022-2860(69)87026-2
1977Kro/Mai:280-288	HW Kroto, M Maier "The Microwave Spectrum, Structure, and Quadrupole Coupling Constants of Boron Chloride Difluoride, BCIF2" J. MOL. SPECT. 65, 280-288 (1977)	10.1016/0022-2852(77)90196-5
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)	10.18434/T4D303

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl2	B1	F3	103.124		Cl2	B1	F4	103.124
F3	B1	F4	153.751

Bond Type	Count
B-Cl	1
B-F	2

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Experimental data for BClF2 (Chlorodifluoroborane)

Experimental data for BClF₂ (Chlorodifluoroborane)