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	hartrees
Energy at 0K	-205.088841
Energy at 298.15K	-205.089885
HF Energy	-205.088841
Nuclear repulsion energy	64.934134

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	1399	1350	0.30	20.06	0.18	0.30
2	A₁	756	730	5.83	1.03	0.75	0.86
3	B₂	1723	1662	332.39	4.92	0.75	0.86

Atom	y (Å)	z (Å)
N1	0.000	0.323
O2	1.102	-0.141
O3	-1.102	-0.141

	N1	O2	O3
N1		1.1957	1.1957
O2	1.1957		2.2039
O3	1.1957	2.2039

Number	Element	Mulliken
1	N	0.425
2	O	-0.212
3	O	-0.212

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

using model chemistry: B3LYPultrafine/6-31G(2df,p)

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>	30.266
(<r²>)^1/2	5.501

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

using model chemistry: B3LYPultrafine/6-31G(2df,p)

States and conformations

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