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	hartrees
Energy at 0K	-204.119512
Energy at 298.15K	-204.120595
HF Energy	-204.119512
Nuclear repulsion energy	67.123142

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	1593	1441	2.51	43.11	0.17	0.30
2	A₁	849	768	10.19	1.15	0.19	0.31
3	B₂	1845	1669	896.73	8.14	0.75	0.86

Atom	y (Å)	z (Å)
N1	0.000	0.298
O2	1.072	-0.130
O3	-1.072	-0.130

	N1	O2	O3
N1		1.1546	1.1546
O2	1.1546		2.1448
O3	1.1546	2.1448

Number	Element	Mulliken
1	N	0.993
2	O	-0.496
3	O	-0.496

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

using model chemistry: HF/daug-cc-pVTZ

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>	29.387
(<r²>)^1/2	5.421

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

using model chemistry: HF/daug-cc-pVTZ

States and conformations

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