CCCBDB listing of experimental data page 2

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Property	Value	Uncertainty	units	Reference
Hfg(298.15K)	81.60	0.50	kJ mol^-1	Gurvich
Hfg(0K)	85.03	0.50	kJ mol^-1	Gurvich
Entropy (298.15K)	220.01		J K^-1 mol^-1	Gurvich
Integrated Heat Capacity (0 to 298.15K)	9.58		kJ mol^-1	Gurvich
Heat Capacity (298.15K)	38.63		J K^-1 mol^-1	Gurvich

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	2224	2282	2003Zun/Bas:43	345.2	18.5	1982Kag:297	fundamentals from webbook (14N2O)	NN stretch
2	Σ	1285	1298	2003Zun/Bas:43	54.7	2.9	1982Kag:297		NO stretch
3	Π	589	596	2003Zun/Bas:43	7.0	0.4	1982Kag:297		bend

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rNN	1.128		1	2			1966Herzberg
rNO	1.184		2	3			1966Herzberg
aNNO	180		1	2	3		1966Herzberg

Atom	x (Å)	y (Å)	z (Å)
N1	0.0000	0.0000	-1.1998
N2	0.0000	0.0000	-0.0716
O3	0.0000	0.0000	1.1126

	N1	N2	O3
N1		1.1282	2.3124
N2	1.1282		1.1842
O3	2.3124	1.1842

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Proton Affinity	unc.	Product	reference	comment
575.2		NNOH⁺	webbook	O-protonated
549.8		HNNO⁺	webbook	N-protonated

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				0.161	NSRDS-NBS10	MW ±0.000016 D μ₀	C_∞v	1	1

squib	reference	DOI
1966Herzberg	Herzberg, G., Electronic spectra and electronic structure of polyatomic molecules,Van Nostrand,New York, 1966
1974Hel/Hel(II/6)	Hellwege, KH and AM Hellwege (eds.). Landolt-Bornstein: Group II: Volume 6 Molecular Constants from Microwave, Molecular Beam, and Electron Spin Resonance Spectroscopy Springer-Verlag. Berlin. 1974.	10.1007/b19951
1982Kag:297	RH Kagan "Infrared Absorption Intensities for N2O" J. Molecular Spectroscopy 95, 297-305 (1982)	10.1016/0022-2852(82)90130-8
1997Oln/Can:59	TN Olney, NM Cann, G Cooper, CE Brion, Absolute scale determination for photoabsorption spectra and the calculation of molecular properties using dipole sum-rules, Chem. Phys. 223 (1997) 59-98	10.1016/S0301-0104(97)00145-6
2003Zun/Bas:43	J Zuniga, A Bastida, A Requena "Theoretical calculations of vibrational frequencies and rotational constants of the N2O isotopomers" J. Mol. Spec. 217 (2003) 43-58	10.1016/S0022-2852(02)00014-0
Gurvich	Gurvich, L.V.; Veyts, I. V.; Alcock, C. B., Thermodynamic Properties of Individual Substances, Fouth Edition, Hemisphere Pub. Co., New York, 1989
NSRDS-NBS10	R. D. Nelson Jr., D. R. Lide, A. A. Maryott "Selected Values of electric dipole moments for molecules in the gas phase" NSRDS-NBS10, 1967	10.6028/NBS.NSRDS.10
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)	10.18434/T4D303

Bond Type	Count
N=N	1
N=O	1

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Experimental data for N2O+ (Nitrous oxide cation)

Experimental data for N₂O⁺ (Nitrous oxide cation)