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	hartrees
Energy at 0K	-278.547161
Energy at 298.15K	-278.548946
Nuclear repulsion energy	114.036422

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1426	1364	161.61
2	A₁	928	888	1.17
3	A₁	477	457	8.97
4	B₁	648	620	12.49
5	B₂	571	546	1.36
6	B₂	441	422	51.62

Atom	y (Å)	z (Å)
N1	0.000	0.113
O2	0.000	1.340
O3	1.046	-0.719
O4	-1.046	-0.719

	N1	O2	O3	O4
N1		1.2273	1.3360	1.3360
O2	1.2273		2.3092	2.3092
O3	1.3360	2.3092		2.0912
O4	1.3360	2.3092	2.0912

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	N1	O3	128.499		O2	N1	O4	128.499
O3	N1	O4	103.001

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

using model chemistry: B1B95/3-21G

States and conformations

Conformer 1 (all bonds equal)

Conformer 2 (one short, two long)

	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	0.506
2	O	-0.245
3	O	-0.130
4	O	-0.130

	x	y	z	Total
	0.000	0.000	0.098	0.098
CHELPG
AIM
ESP

<r²>	53.575
(<r²>)^1/2	7.320

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

using model chemistry: B1B95/3-21G

States and conformations

Conformer 1 (all bonds equal)

Conformer 2 (one short, two long)

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