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	hartrees
Energy at 0K	-205.173870
Energy at 298.15K	-205.174921
HF Energy	-205.173870
Nuclear repulsion energy	65.216755

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	1393	1350	0.21	22.44	0.19	0.32
2	A₁	769	745	6.31	1.06	0.74	0.85
3	B₂	1695	1642	414.97	6.32	0.75	0.86

Atom	y (Å)	z (Å)
N1	0.000	0.321
O2	1.097	-0.140
O3	-1.097	-0.140

	N1	O2	O3
N1		1.1905	1.1905
O2	1.1905		2.1948
O3	1.1905	2.1948

Number	Element	Mulliken
1	N	0.286
2	O	-0.143
3	O	-0.143

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

using model chemistry: B3LYP/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>	30.361
(<r²>)^1/2	5.510

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

using model chemistry: B3LYP/cc-pVQZ

States and conformations

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