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	hartrees
Energy at 0K	-163.981841
Energy at 298.15K
HF Energy	-163.981841
Nuclear repulsion energy	62.041456

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'	3455	3455	79.32	116.97	0.27	0.43
2	A'	2300	2300	367.11	17.26	0.40	0.57
3	A'	1324	1324	13.43	27.35	0.15	0.26
4	A'	1107	1107	196.11	5.41	0.61	0.76
5	A'	557	557	16.30	0.25	0.18	0.31
6	A"	617	617	0.32	0.01	0.75	0.86

Atom	x (Å)	y (Å)
N1	0.079	-1.112
N2	0.000	0.105
N3	-0.228	1.214
H4	1.046	-1.451

	N1	N2	N3	H4
N1		1.2202	2.3470	1.0247
N2	1.2202		1.1324	1.8750
N3	2.3470	1.1324		2.9542
H4	1.0247	1.8750	2.9542

Number	Element	Mulliken
1	N	-0.570
2	N	0.686
3	N	-0.340
4	H	0.225

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

using model chemistry: SVWN/6-311+G(3df,2p)

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
	1.714	-1.113	0.000	2.044
CHELPG
AIM
ESP

	x	y	z
x	2.663	-0.651	0.000
y	-0.651	6.147	0.000
z	0.000	0.000	2.444

<r²>	33.423
(<r²>)^1/2	5.781

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

using model chemistry: SVWN/6-311+G(3df,2p)

States and conformations

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