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	hartrees
Energy at 0K	-205.167132
Energy at 298.15K	-205.168181
HF Energy	-205.167132
Nuclear repulsion energy	65.202747

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	1394	1342	0.30	22.47	0.19	0.31
2	A₁	768	739	6.87	1.36	0.75	0.86
3	B₂	1697	1634	422.82	6.81	0.75	0.86

Atom	y (Å)	z (Å)
N1	0.000	0.321
O2	1.098	-0.140
O3	-1.098	-0.140

	N1	O2	O3
N1		1.1907	1.1907
O2	1.1907		2.1954
O3	1.1907	2.1954

Number	Element	Mulliken
1	N	0.358
2	O	-0.179
3	O	-0.179

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

using model chemistry: B3LYP/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>	30.390
(<r²>)^1/2	5.513

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

using model chemistry: B3LYP/Def2TZVPP

States and conformations

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