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	hartrees
Energy at 0K	-204.969981
Energy at 298.15K	-204.971018
HF Energy	-204.969981
Nuclear repulsion energy	64.558902

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	1338	1327	0.01	18.25	0.25	0.41
2	A₁	742	736	3.95	1.00	0.43	0.60
3	B₂	1661	1648	349.81	4.27	0.75	0.86

Atom	y (Å)	z (Å)
N1	0.000	0.326
O2	1.108	-0.143
O3	-1.108	-0.143

	N1	O2	O3
N1		1.2028	1.2028
O2	1.2028		2.2157
O3	1.2028	2.2157

Number	Element	Mulliken
1	N	0.606
2	O	-0.303
3	O	-0.303

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

using model chemistry: PBEPBE/6-311+G(3df,2p)

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>	30.841
(<r²>)^1/2	5.553

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

using model chemistry: PBEPBE/6-311+G(3df,2p)

States and conformations

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