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	hartrees
Energy at 0K	-163.940012
Energy at 298.15K
HF Energy	-163.940012
Nuclear repulsion energy	61.446784

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'	3434	3408	70.05	130.16	0.25	0.40
2	A'	2294	2276	338.55	16.64	0.43	0.60
3	A'	1318	1308	12.77	28.91	0.14	0.25
4	A'	1117	1108	187.43	6.15	0.58	0.73
5	A'	535	531	14.64	0.32	0.29	0.45
6	A"	589	584	1.22	0.02	0.75	0.86

Atom	x (Å)	y (Å)
N1	0.142	-1.117
N2	0.000	0.106
N3	-0.304	1.210
H4	1.135	-1.392

	N1	N2	N3	H4
N1		1.2313	2.3699	1.0303
N2	1.2313		1.1456	1.8793
N3	2.3699	1.1456		2.9737
H4	1.0303	1.8793	2.9737

Number	Element	Mulliken
1	N	-0.159
2	N	0.585
3	N	-0.439
4	H	0.012

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

using model chemistry: SVWN/aug-cc-pVDZ

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
	1.752	-0.994	0.000	2.014
CHELPG
AIM
ESP

	x	y	z
x	2.848	-0.907	0.000
y	-0.907	6.184	0.000
z	0.000	0.000	2.484

<r²>	33.875
(<r²>)^1/2	5.820

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

using model chemistry: SVWN/aug-cc-pVDZ

States and conformations

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