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	hartrees
Energy at 0K	-164.740398
Energy at 298.15K
HF Energy	-164.740398
Nuclear repulsion energy	61.424075

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'	3428	3379	30.40	127.27	0.36	0.53
2	A'	2228	2196	279.80	11.98	0.42	0.59
3	A'	1274	1256	0.49	22.92	0.34	0.51
4	A'	1154	1137	195.56	5.13	0.36	0.53
5	A'	523	515	14.21	0.59	0.49	0.65
6	A"	587	578	0.29	0.01	0.75	0.86

Atom	x (Å)	y (Å)
N1	0.162	-1.120
N2	0.000	0.109
N3	-0.327	1.203
H4	1.159	-1.345

	N1	N2	N3	H4
N1		1.2392	2.3736	1.0225
N2	1.2392		1.1420	1.8596
N3	2.3736	1.1420		2.9501
H4	1.0225	1.8596	2.9501

Number	Element	Mulliken
1	N	-0.307
2	N	0.238
3	N	-0.168
4	H	0.237

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

using model chemistry: B97D3/6-311G**

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
	1.833	-0.780	0.000	1.992
CHELPG
AIM
ESP

	x	y	z
x	2.054	-1.032	0.000
y	-1.032	5.339	0.000
z	0.000	0.000	1.423

<r²>	33.583
(<r²>)^1/2	5.795

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

using model chemistry: B97D3/6-311G**

States and conformations

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