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	hartrees
Energy at 0K	-164.771597
Energy at 298.15K
HF Energy	-164.771597
Nuclear repulsion energy	62.194996

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'	3527	3338	58.96	118.86	0.31	0.47
2	A'	2355	2228	481.58	34.05	0.36	0.53
3	A'	1319	1248	3.72	23.14	0.30	0.46
4	A'	1191	1126	241.67	4.55	0.47	0.64
5	A'	543	514	18.58	0.43	0.54	0.70
6	A"	601	569	0.33	0.00	0.75	0.86

Atom	x (Å)	y (Å)
N1	0.082	-1.119
N2	0.000	0.113
N3	-0.233	1.205
H4	1.062	-1.394

	N1	N2	N3	H4
N1		1.2344	2.3454	1.0185
N2	1.2344		1.1171	1.8434
N3	2.3454	1.1171		2.9040
H4	1.0185	1.8434	2.9040

Number	Element	Mulliken
1	N	-0.480
2	N	0.462
3	N	-0.223
4	H	0.241

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

using model chemistry: M06-2X/TZVP

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
	1.864	-0.406	0.000	1.908
CHELPG
AIM
ESP

	x	y	z
x	2.079	-0.766	0.000
y	-0.766	5.859	0.000
z	0.000	0.000	1.729

<r²>	33.359
(<r²>)^1/2	5.776

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

using model chemistry: M06-2X/TZVP

States and conformations

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