CCCBDB listing of experimental data page 2

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Property	Value	units	Reference
Hfg(298.15K)	82.13	kJ mol^-1	webbook
Hfg(0K)		kJ mol^-1	webbook
Entropy (298.15K)	273.53	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	A'	1799	1832	1969Laa/Jon:489
2	A'	543	548	1969Laa/Jon:489
3	A'	267	269	1969Laa/Jon:489

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rNBr	2.140	0.002	1	2			1970Mil/Mit:2414
rNO	1.146	0.010	1	3			1970Mil/Mit:2414
aONBr	114.5	0.5	2	1	3		1970Mil/Mit:2414

Atom	x (Å)	y (Å)
N1	0.4844	-1.3473
Br2	0.0000	0.7372
O3	-0.4238	-2.0462

	N1	Br2	O3
N1		2.1400	1.1460
Br2	2.1400		2.8155
O3	1.1460	2.8155

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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You are here: Experimental > One molecule all properties

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

squib	reference	DOI
1969Laa/Jon:489	J Laane, LH Jones, RR Ryan, LB Asprey "Vibrational Spectra and Force Constants for Iostopic Species of Nitrosyl Bromide" J. Mol. Spect. 30, 489-497 (1969)	10.1016/0022-2852(69)90280-x
1970Mil/Mit:2414	DJ Millen, D Mitra "Microwave spectrum, structure and nuclear quadrupole coupling coefficients of nitrosyl bromide" Trans. Faraday Soc., 1970, 66, 2414-2419	10.1039/TF9706602414
1994Esp/Tam:313	CD Esposti, F Tamassia, G Cazzoli "Centrifugal Distortion and Hyperfine Structure Analysis of the Millimeter-Wave Spectrum of Nitrosyl Bromide" J. Mol. Spect. 163, 313-325 (1994)	10.1006/jmsp.1994.1028
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)	10.18434/T4D303

Bond Type	Count
N=O	1
N-Br	1

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Experimental data for BrNO (Nitrosyl bromide)