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	hartrees
Energy at 0K	-205.030605
Energy at 298.15K	-205.031658
HF Energy	-205.030605
Nuclear repulsion energy	65.435943

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	1449	1387	0.48	20.47	0.18	0.30
2	A₁	770	738	6.47	0.98	0.75	0.86
3	B₂	1800	1724	373.26	4.71	0.75	0.86

Atom	y (Å)	z (Å)
N1	0.000	0.318
O2	1.095	-0.139
O3	-1.095	-0.139

	N1	O2	O3
N1		1.1862	1.1862
O2	1.1862		2.1892
O3	1.1862	2.1892

Number	Element	Mulliken
1	N	0.481
2	O	-0.240
3	O	-0.240

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

using model chemistry: B1B95/6-31G(2df,p)

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>	29.939
(<r²>)^1/2	5.472

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

using model chemistry: B1B95/6-31G(2df,p)

States and conformations

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