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	hartrees
Energy at 0K	-205.153439
Energy at 298.15K	-205.154487
HF Energy	-205.153439
Nuclear repulsion energy	65.076317

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	1386	1335	0.23	21.80	0.18	0.31
2	A₁	765	737	8.72	1.99	0.73	0.84
3	B₂	1685	1624	433.90	7.77	0.75	0.86

Atom	y (Å)	z (Å)
N1	0.000	0.323
O2	1.099	-0.141
O3	-1.099	-0.141

	N1	O2	O3
N1		1.1931	1.1931
O2	1.1931		2.1988
O3	1.1931	2.1988

Number	Element	Mulliken
1	N	0.182
2	O	-0.091
3	O	-0.091

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

using model chemistry: B3LYPultrafine/TZVP

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>	30.546
(<r²>)^1/2	5.527

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

using model chemistry: B3LYPultrafine/TZVP

States and conformations

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