CCCBDB listing of experimental data page 2

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Property	Value	units	Reference
Hfg(298.15K)	300.76	kJ mol^-1	webbook
Hfg(0K)		kJ mol^-1	webbook
Entropy (298.15K)	235.45	J K^-1 mol^-1	webbook
Heat Capacity (298.15K)	32.56	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	Σ	682	692	1992Ser/Win:247

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rNBr	1.765		1	2			1992Ser/Win:247

Atom	x (Å)	y (Å)	z (Å)
N1	0.0000	0.0000	0.0000
Br2	0.0000	0.0000	1.7650

	N1	Br2
N1		1.7650
Br2	1.7650

	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	³Σ^-	C_∞v	True							C_∞v	1	1

squib	reference	DOI
1992Ser/Win:247	K Seranski, M Winter, U Schurath "SITE-RESOLVED VIBRONIC SPECTRA OF MATRIX-ISOLATED NBr - COMPARISON WITH MODEL-CALCULATIONS" Chem. Phys. 159(2) 247-256, 1992	10.1016/0301-0104(92)80074-6
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)	10.18434/T4D303

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Experimental data for NBr (nitrogen monobromide)