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	hartrees
Energy at 0K	-205.172782
Energy at 298.15K	-205.173827
HF Energy	-205.172782
Nuclear repulsion energy	64.955951

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	1375	1375	0.19	21.64	0.18	0.31
2	A₁	759	759	6.07	1.49	0.75	0.86
3	B₂	1682	1682	390.36	6.53	0.75	0.86

Atom	y (Å)	z (Å)
N1	0.000	0.323
O2	1.102	-0.141
O3	-1.102	-0.141

	N1	O2	O3
N1		1.1953	1.1953
O2	1.1953		2.2031
O3	1.1953	2.2031

Number	Element	Mulliken
1	N	0.345
2	O	-0.173
3	O	-0.173

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

using model chemistry: TPSSh/Def2TZVPP

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>	30.445
(<r²>)^1/2	5.518

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

using model chemistry: TPSSh/Def2TZVPP

States and conformations

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