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	hartrees
Energy at 0K	-203.709146
Energy at 298.15K	-203.710140
HF Energy	-203.709146
Nuclear repulsion energy	62.604928

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	1168	1125	0.37	13.88	0.18	0.31
2	A₁	696	670	8.62	2.84	0.75	0.86
3	B₂	1391	1340	156.09	4.48	0.75	0.86

Atom	y (Å)	z (Å)
N1	0.000	0.335
O2	1.143	-0.147
O3	-1.143	-0.147

	N1	O2	O3
N1		1.2402	1.2402
O2	1.2402		2.2858
O3	1.2402	2.2858

Number	Element	Mulliken
1	N	0.466
2	O	-0.233
3	O	-0.233

All results from a given calculation for NO₂ (Nitrogen dioxide)

using model chemistry: HSEh1PBE/3-21G

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>	31.988
(<r²>)^1/2	5.656

All results from a given calculation for NO2 (Nitrogen dioxide)

using model chemistry: HSEh1PBE/3-21G

States and conformations

All results from a given calculation for NO₂ (Nitrogen dioxide)