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	hartrees
Energy at 0K	-57.541137
Energy at 298.15K	-57.542732
Nuclear repulsion energy	61.596712

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1128	1100	4.63
2	A₁	687	670	5.12
3	A₁	575	560	4.08
4	B₁	665	648	5.55
5	B₂	1317	1283	130.20
6	B₂	141	138	4.21

Atom	y (Å)	z (Å)
N1	0.000	-0.077
O2	0.000	1.312
O3	1.150	-0.622
O4	-1.150	-0.622

	N1	O2	O3	O4
N1		1.3894	1.2724	1.2724
O2	1.3894		2.2503	2.2503
O3	1.2724	2.2503		2.2995
O4	1.2724	2.2503	2.2995

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	N1	O3	115.362		O2	N1	O4	115.362
O3	N1	O4	129.275

All results from a given calculation for NO₃ (Nitrogen trioxide)

using model chemistry: B3LYP/CEP-121G

States and conformations

Conformer 1 (all bonds equal)

Conformer 2 (one short, two long)

Conformer 3 (one long, two short)

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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Number	Element	Mulliken
1	N	0.010
2	O	0.039
3	O	-0.024
4	O	-0.024

	x	y	z	Total
	0.000	0.000	0.572	0.572
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for NO3 (Nitrogen trioxide)

using model chemistry: B3LYP/CEP-121G

States and conformations

Conformer 1 (all bonds equal)

Conformer 2 (one short, two long)

Conformer 3 (one long, two short)

All results from a given calculation for NO₃ (Nitrogen trioxide)