CCCBDB listing of experimental data page 2

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Property	Value	Uncertainty	units	Reference
Hfg(298.15K)	-50.10	1.80	kJ mol^-1	2008Shu/Zha:10533-10538
Hfg(0K)	-38.20	1.80	kJ mol^-1	2008Shu/Zha:10533-10538
Integrated Heat Capacity (0 to 298.15K)	14.80		kJ mol^-1	2008Shu/Zha:10533-10538

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	A'	3028		1996And/Slo:699-704					CH stretch
2	A'	1117							HCBr bend
3	A'	698						raman	CCl₂ s-str
4	A'	597							CBr stretch
5	A'	330							CCl₂ scissors
6	A'	220							CCl₂ wag
7	A"	1217							CH bend
8	A"	754						raman	CCl₂ a-str
9	A"	215							CCl₂ rock

Bond Type	Count
H-C	1
C-Br	1
C-Cl	2

Atom 1	Atom 2
C1	H2
C1	Br3
C1	Cl4
C1	Cl5

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	¹A^'	C_s	True							C_s	2	3

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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squib	reference	DOI
1996And/Slo:699-704	A Anderson, GA Slokat and W Smith "Raman and Infrared Spectra of Solid Bromodichloromethane" J RAMAN SPECT., 21, 699-704 (1996)	10.1002/(SICI)1097-4555(199609)27:9<699::AID-JRS27>3.0.CO;2-H
2008Shu/Zha:10533-10538	NS Shuman, LY Zhao, M Boles, T Baer, B Sztaray "Heats of Formation of HCCl3, HCCl2Br, HCClBr2, HCBr3, and Their Fragment Ions Studied by Threshold Photoelectron Photoion Coincidence" J. Phys. Chem. A 2008, 112, 10533–10538	10.1021/jp8056459

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Experimental data for CHBrCl2 (Methane, bromodichloro-)

Experimental data for CHBrCl₂ (Methane, bromodichloro-)