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	hartrees
Energy at 0K	-164.795495
Energy at 298.15K
HF Energy	-164.795495
Nuclear repulsion energy	61.708200

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3487	3365	37.59	118.46	0.32	0.48
2	A'	2287	2207	307.16	15.09	0.30	0.47
3	A'	1307	1261	4.26	21.82	0.32	0.48
4	A'	1191	1150	205.99	3.04	0.29	0.45
5	A'	545	526	14.48	0.56	0.51	0.68
6	A"	617	595	0.10	0.06	0.75	0.86

Atom	x (Å)	y (Å)
N1	0.093	-1.124
N2	0.000	0.110
N3	-0.247	1.215
H4	1.076	-1.401

	N1	N2	N3	H4
N1		1.2378	2.3639	1.0205
N2	1.2378		1.1323	1.8544
N3	2.3639	1.1323		2.9310
H4	1.0205	1.8544	2.9310

Number	Element	Mulliken
1	N	-0.438
2	N	0.400
3	N	-0.249
4	H	0.287

All results from a given calculation for HN₃ (hydrogen azide)

using model chemistry: B3LYP/6-31G(2df,p)

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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	x	y	z	Total
	1.667	-0.756	0.000	1.830
CHELPG
AIM
ESP

	x	y	z
x	2.149	-0.792	0.000
y	-0.792	5.247	0.000
z	0.000	0.000	1.613

<r²>	33.357
(<r²>)^1/2	5.776

All results from a given calculation for HN3 (hydrogen azide)

using model chemistry: B3LYP/6-31G(2df,p)

States and conformations

All results from a given calculation for HN₃ (hydrogen azide)