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	hartrees
Energy at 0K	-164.711512
Energy at 298.15K
HF Energy	-164.711512
Nuclear repulsion energy	61.137775

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'	3384	3355	26.42	138.93	0.33	0.50
2	A'	2239	2220	251.46	10.11	0.39	0.56
3	A'	1278	1267	0.42	21.69	0.33	0.49
4	A'	1161	1151	177.37	4.41	0.45	0.62
5	A'	520	515	13.90	0.65	0.51	0.67
6	A"	586	581	0.03	0.01	0.75	0.86

Atom	x (Å)	y (Å)
N1	0.162	-1.125
N2	0.000	0.108
N3	-0.329	1.209
H4	1.170	-1.341

	N1	N2	N3	H4
N1		1.2431	2.3844	1.0309
N2	1.2431		1.1489	1.8621
N3	2.3844	1.1489		2.9575
H4	1.0309	1.8621	2.9575

Number	Element	Mulliken
1	N	-0.169
2	N	0.203
3	N	-0.178
4	H	0.144

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

using model chemistry: B97D3/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
	1.757	-0.787	0.000	1.925
CHELPG
AIM
ESP

	x	y	z
x	1.989	-1.049	0.000
y	-1.049	5.132	0.000
z	0.000	0.000	1.253

<r²>	33.631
(<r²>)^1/2	5.799

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

using model chemistry: B97D3/cc-pVDZ

States and conformations

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