CCCBDB listing of experimental data page 2

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Property	Value	Uncertainty	units	Reference
Hfg(298.15K)	-191.00	8.00	kJ mol^-1	JANAF
Hfg(0K)	-187.36	8.00	kJ mol^-1	JANAF
Entropy (298.15K)	228.98	0.42	J K^-1 mol^-1	JANAF
Integrated Heat Capacity (0 to 298.15K)	11.40	0.15	kJ mol^-1	1996Gur/Ber:1211
Heat Capacity (298.15K)	47.97	0.50	J K^-1 mol^-1	1996Gur/Ber:1211

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	3637		1955Bus:933				Crystal value	OH stretch
2	Σ	540		1996Gur/Ber:1211					NaO stretch
3	Π	300		1996Gur/Ber:1211					NaOH bend

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rNaO	1.950		1	2			1998Kuc

Atom	x (Å)	y (Å)	z (Å)
O1	0.0000	0.0000	-1.0254
Na2	0.0000	0.0000	0.9246
H3	0.0000	0.0000	-1.9668

	O1	Na2	H3
O1		1.9500	0.9414
Na2	1.9500		2.8914
H3	0.9414	2.8914

	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	¹Σ	C_∞v	True							C_∞v	1	1

squib	reference	DOI
1955Bus:933	W R Busing "Infrared Spectra and Structure of NaOH and NaOD" J. Chem. Phys. 23 (5), 933, 1955	10.1063/1.1742150
1996Gur/Ber:1211	Gurvich LV, Bergman GA, Gorokhov LN, et al."Thermodynamic properties of alkali metal hydroxides .1. Lithium and sodium hydroxides"J PHYS CHEM REF DATA 25 (4): 1211-1276 JUL-AUG 1996	10.1063/1.555982
1998Kuc	K Kuchitsu(ed) "Structure of Free Polyatomic Molecules - Basic Data" Springer, Berlin, 1998	10.1007/978-3-642-45748-7
JANAF	Chase, M.W., Jr.; Davies, C.A.; Downey, J.R., Jr.; Frurip, D.J.; McDonald, R.A.; Syverud, A.N., JANAF Thermochemical Tables (Third Edition), J. Phys. Chem. Ref. Data,Suppl. 1, 1985, 14, 1.

Bond Type	Count
H-O	1
O-Na	1

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Experimental data for NaOH (sodium hydroxide)