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	hartrees
Energy at 0K	-205.071542
Energy at 298.15K	-205.072582
HF Energy	-205.071542
Nuclear repulsion energy	64.748791

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	1340	1340	0.08	19.93	0.18	0.31
2	A₁	752	752	5.17	1.41	0.69	0.82
3	B₂	1648	1648	334.23	5.66	0.75	0.86

Atom	y (Å)	z (Å)
N1	0.000	0.326
O2	1.104	-0.143
O3	-1.104	-0.143

	N1	O2	O3
N1		1.1994	1.1994
O2	1.1994		2.2085
O3	1.1994	2.2085

Number	Element	Mulliken
1	N	0.247
2	O	-0.124
3	O	-0.124

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

using model chemistry: B97D3/cc-pVQZ

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>	30.516
(<r²>)^1/2	5.524

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

using model chemistry: B97D3/cc-pVQZ

States and conformations

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