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	hartrees
Energy at 0K	-163.921144
Energy at 298.15K
HF Energy	-163.921144
Nuclear repulsion energy	63.135868

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'	3714	3374	50.42	105.09	0.24	0.39
2	A'	2493	2265	619.91	76.47	0.31	0.48
3	A'	1444	1311	46.92	17.19	0.23	0.37
4	A'	1237	1124	278.85	4.45	0.00	0.00
5	A'	599	544	16.44	0.50	0.35	0.52
6	A"	700	636	1.51	0.03	0.75	0.86

Atom	x (Å)	y (Å)
N1	-0.073	-1.112
N2	0.000	0.119
N3	-0.050	1.204
H4	0.859	-1.484

	N1	N2	N3	H4
N1		1.2332	2.3160	1.0026
N2	1.2332		1.0860	1.8184
N3	2.3160	1.0860		2.8372
H4	1.0026	1.8184	2.8372

Number	Element	Mulliken
1	N	-0.378
2	N	0.252
3	N	-0.178
4	H	0.305

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

using model chemistry: HF/aug-cc-pVQZ

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
You are here: Calculated > Energy > Optimized > Energy

	x	y	z	Total
	1.602	-0.098	0.000	1.605
CHELPG
AIM
ESP

	x	y	z
x	2.461	-0.184	0.000
y	-0.184	5.710	0.000
z	0.000	0.000	2.376

<r²>	32.742
(<r²>)^1/2	5.722

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

using model chemistry: HF/aug-cc-pVQZ

States and conformations

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