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	hartrees
Energy at 0K	-164.765340
Energy at 298.15K
HF Energy	-164.765340
Nuclear repulsion energy	62.011656

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'	3546	3392	45.04	110.66	0.36	0.53
2	A'	2326	2225	387.95	19.38	0.39	0.56
3	A'	1321	1263	0.21	21.37	0.34	0.51
4	A'	1198	1146	223.30	4.83	0.36	0.53
5	A'	536	513	16.83	0.63	0.52	0.69
6	A"	611	584	0.17	0.01	0.75	0.86

Atom	x (Å)	y (Å)
N1	0.080	-1.121
N2	0.000	0.110
N3	-0.232	1.211
H4	1.060	-1.397

	N1	N2	N3	H4
N1		1.2345	2.3528	1.0174
N2	1.2345		1.1243	1.8427
N3	2.3528	1.1243		2.9100
H4	1.0174	1.8427	2.9100

Number	Element	Mulliken
1	N	-0.343
2	N	0.261
3	N	-0.160
4	H	0.242

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

using model chemistry: wB97X-D/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
	1.819	-0.616	0.000	1.920
CHELPG
AIM
ESP

	x	y	z
x	1.876	-0.765	0.000
y	-0.765	5.396	0.000
z	0.000	0.000	1.402

<r²>	33.239
(<r²>)^1/2	5.765

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

using model chemistry: wB97X-D/6-311G**

States and conformations

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