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	hartrees
Energy at 0K	-205.111640
Energy at 298.15K	-205.112697
HF Energy	-205.111640
Nuclear repulsion energy	65.622000

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	1440	1440	0.39	23.01	0.18	0.31
2	A₁	782	782	7.11	1.26	0.74	0.85
3	B₂	1774	1774	455.73	6.70	0.75	0.86

Atom	y (Å)	z (Å)
N1	0.000	0.316
O2	1.092	-0.138
O3	-1.092	-0.138

	N1	O2	O3
N1		1.1827	1.1827
O2	1.1827		2.1836
O3	1.1827	2.1836

Number	Element	Mulliken
1	N	0.378
2	O	-0.189
3	O	-0.189

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

using model chemistry: mPW1PW91/Def2TZVPP

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>	30.059
(<r²>)^1/2	5.483

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

using model chemistry: mPW1PW91/Def2TZVPP

States and conformations

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