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	hartrees
Energy at 0K	-41.659039
Energy at 298.15K	-41.660024
HF Energy	-41.659039
Nuclear repulsion energy	33.414998

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	1230	1191	0.40	21.06	0.23	0.37
2	A₁	663	642	8.28	3.36	0.73	0.85
3	B₂	1466	1420	235.21	9.89	0.75	0.86

Atom	y (Å)	z (Å)
N1	0.000	0.347
O2	1.158	-0.152
O3	-1.158	-0.152

	N1	O2	O3
N1		1.2606	1.2606
O2	1.2606		2.3155
O3	1.2606	2.3155

Number	Element	Mulliken
1	N	0.043
2	O	-0.022
3	O	-0.022

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

using model chemistry: B3LYP/CEP-31G

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>	27.316
(<r²>)^1/2	5.226

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

using model chemistry: B3LYP/CEP-31G

States and conformations

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