CCCBDB listing of experimental data page 2

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Property	Value	Uncertainty	units	Reference
Hfg(298.15K)	55.10	4.90	kJ mol^-1	2008Shu/Zha:10533-10538
Hfg(0K)	81.00	4.90	kJ mol^-1	2008Shu/Zha:10533-10538
Entropy (298.15K)	330.67		J K^-1 mol^-1	Gurvich
Integrated Heat Capacity (0 to 298.15K)	16.10		kJ mol^-1	2008Shu/Zha:10533-10538
Heat Capacity (298.15K)	70.99		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	3042		webbook					CH stretch
2	A₁	541		webbook					CBr₃ s-str
3	A₁	222		webbook					CBr₃ s-deform
4	E	1149		webbook					CH₂ bend
5	E	669		webbook					CBr₃ d-stretch
6	E	155		webbook					CBr₃ d-deform

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rCBr	1.924	0.005	1	3			1987Kuchitsu(II/15)	rg
rCH	1.110	0.050	1	2			1987Kuchitsu(II/15)
aBrCBr	111.7	0.4	3	1	4		1987Kuchitsu(II/15)
aHCBr	107.2	0.4	2	1	3		1987Kuchitsu(II/15)

Atom	x (Å)	y (Å)	z (Å)
C1	0.0000	0.0000	0.5235
H2	0.0000	0.0000	1.6335
Br3	0.0000	1.8380	-0.0455
Br4	1.5917	-0.9190	-0.0455
Br5	-1.5917	-0.9190	-0.0455

	C1	H2	Br3	Br4	Br5
C1		1.1100	1.9240	1.9240	1.9240
H2	1.1100		2.4894	2.4894	2.4894
Br3	1.9240	2.4894		3.1834	3.1834
Br4	1.9240	2.4894	3.1834		3.1834
Br5	1.9240	2.4894	3.1834	3.1834

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Experimental data for CHBr3 (bromoform)

Experimental data for CHBr₃ (bromoform)