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	hartrees
Energy at 0K	-205.092698
Energy at 298.15K	-205.093745
HF Energy	-205.092698
Nuclear repulsion energy	64.781671

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	1405	1363	0.77	17.68	0.20	0.33
2	A₁	758	735	8.39	1.95	0.73	0.85
3	B₂	1721	1670	331.47	5.80	0.75	0.86

Atom	y (Å)	z (Å)
N1	0.000	0.325
O2	1.104	-0.142
O3	-1.104	-0.142

	N1	O2	O3
N1		1.1987	1.1987
O2	1.1987		2.2081
O3	1.1987	2.2081

Number	Element	Mulliken
1	N	0.279
2	O	-0.139
3	O	-0.139

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

using model chemistry: B3LYPultrafine/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>	30.394
(<r²>)^1/2	5.513

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

using model chemistry: B3LYPultrafine/cc-pVDZ

States and conformations

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