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	hartrees
Energy at 0K	-164.176004
Energy at 298.15K	-164.177144
HF Energy	-164.176004
Nuclear repulsion energy	54.548976

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	1355	1310	0.00
2	Σ_u	1707	1651	187.91
3	Π_u	579	560	1.24
3	Π_u	468	452	8.62

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.000
N2	0.000	0.000	1.188
N3	0.000	0.000	-1.188

	N1	N2	N3
N1		1.1884	1.1884
N2	1.1884		2.3767
N3	1.1884	2.3767

Number	Element	Mulliken
1	N	0.708
2	N	-0.354
3	N	-0.354

All results from a given calculation for N₃ (azide radical)

using model chemistry: TPSSh/aug-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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<r²>	30.469
(<r²>)^1/2	5.520

All results from a given calculation for N3 (azide radical)

using model chemistry: TPSSh/aug-cc-pVDZ

States and conformations

All results from a given calculation for N₃ (azide radical)