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	hartrees
Energy at 0K	-204.909029
Energy at 298.15K	-204.910064
HF Energy	-204.909029
Nuclear repulsion energy	64.132021

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	1349	1341	0.42	15.01	0.20	0.33
2	A₁	736	732	6.93	2.39	0.75	0.86
3	B₂	1675	1665	261.55	4.94	0.75	0.86

Atom	y (Å)	z (Å)
N1	0.000	0.331
O2	1.114	-0.145
O3	-1.114	-0.145

	N1	O2	O3
N1		1.2112	1.2112
O2	1.2112		2.2280
O3	1.2112	2.2280

Number	Element	Mulliken
1	N	0.243
2	O	-0.121
3	O	-0.121

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

using model chemistry: PBEPBEultrafine/cc-pVDZ

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>	30.752
(<r²>)^1/2	5.545

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

using model chemistry: PBEPBEultrafine/cc-pVDZ

States and conformations

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