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	hartrees
Energy at 0K	-204.969045
Energy at 298.15K	-204.970080
HF Energy	-204.969045
Nuclear repulsion energy	64.396143

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	1328	1313	0.08	18.31	0.18	0.31
2	A₁	742	734	7.22	2.56	0.75	0.86
3	B₂	1641	1623	343.80	6.57	0.75	0.86

Atom	y (Å)	z (Å)
N1	0.000	0.328
O2	1.110	-0.144
O3	-1.110	-0.144

	N1	O2	O3
N1		1.2061	1.2061
O2	1.2061		2.2198
O3	1.2061	2.2198

Number	Element	Mulliken
1	N	0.115
2	O	-0.057
3	O	-0.057

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

using model chemistry: PBEPBEultrafine/TZVP

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>	30.923
(<r²>)^1/2	5.561

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

using model chemistry: PBEPBEultrafine/TZVP

States and conformations

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