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	hartrees
Energy at 0K	-205.087000
Energy at 298.15K	-205.088053
HF Energy	-205.087000
Nuclear repulsion energy	65.418663

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	1419	1419	0.32	22.26	0.18	0.31
2	A₁	775	775	6.86	1.36	0.75	0.86
3	B₂	1749	1749	432.08	6.58	0.75	0.86

Atom	y (Å)	z (Å)
N1	0.000	0.318
O2	1.095	-0.139
O3	-1.095	-0.139

	N1	O2	O3
N1		1.1865	1.1865
O2	1.1865		2.1894
O3	1.1865	2.1894

Number	Element	Mulliken
1	N	0.369
2	O	-0.185
3	O	-0.185

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

using model chemistry: B3PW91/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>	30.182
(<r²>)^1/2	5.494

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

using model chemistry: B3PW91/Def2TZVPP

States and conformations

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