CCCBDB listing of experimental data page 2

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Property	Value	Uncertainty	units	Reference
Hfg(298.15K)	11.63	0.12	kJ mol^-1	TRC
Hfg(0K)		0.12	kJ mol^-1	TRC
Entropy (298.15K)	276.20	2.80	J K^-1 mol^-1	TRC
Heat Capacity (298.15K)	49.14	0.49	J K^-1 mol^-1	TRC

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'	2992		2000Bal/Bal:517					CH₂ s-stretch
2	A'	1465		2000Bal/Bal:517					CH₂ scissors
3	A'	1314		2000Bal/Bal:517					CH₂ wag
4	A'	1068		2000Bal/Bal:517					CF stretch
5	A'	651		2000Bal/Bal:517					CBr stretch
6	A'	311		2000Bal/Bal:517					CBrF scissors
7	A"	3047		2000Bal/Bal:517					CH₂ a-stretch
8	A"	1226		2000Bal/Bal:517					CH₂ twist
9	A"	935		2000Bal/Bal:517					CH₂ rock

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rCH	1.090		1	4			1976Hellwege(II/7)	assumed
rCF	1.375	0.020	1	2			1976Hellwege(II/7)
rCBr	1.915	0.020	1	3			1976Hellwege(II/7)
aHCH	112		4	1	5		1976Hellwege(II/7)	assumed
aHCBr	108.5		3	1	4		1976Hellwege(II/7)	assumed
aFCBr	111	2	2	1	3		1976Hellwege(II/7)

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

Atom 1	Atom 2
C1	F2
C1	Br3
C1	H4
C1	H5

	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	¹A^'	C_s	True	0.347	1.704		1.739	2007Caz/Puz:112	MW μ₀	C_s	2	3

squib	reference	DOI
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.
2000Bal/Bal:517	A Baldacci, A Baldan, A Gambi, P Stoppa "The vibrational spectra and normal coordiantes analysis of bromofluoromethane, CH2BrF" J. Mol. Struct. 517-518 (2000) 197-208	10.1016/S0022-2860(99)00251-3
2007Bal/Sto:126	A Baldacci, P Stoppa, A Pietropolli Charmet, S Giorgianni, G Cazzoli, L Cludi, C Puzzarini, R Wugt Larsen, "Spectroscopic constants of the ground and lower vibrational states of CH2 81BrF: A combined high resolution infrared and microwave study" J. Mol. Spec. 246 (2007) 126-132	10.1016/j.jms.2007.09.002
2007Caz/Puz:112	G Cazzoli, C Puzzarini, A Baldacci, A Baldan "Determination of the molecular dipole moment of bromofluoromethane: Microwave Stark spectra and ab initio calculations" J. Mol. Spec. 241 (2007) 112-115	10.1016/j.jms.2006.11.004
TRC	Frenkel, M; Marsh, K.N.; Wilhoit, R.C.; Kabo, G.J.; Roganov, G.N.,Thermodynamics of Organic Compounds in the Gas State,Thermodynamics Research Center, College Station, TX, 1994

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Experimental data for CH2BrF (Methane, bromofluoro-)

Experimental data for CH₂BrF (Methane, bromofluoro-)