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	hartrees
Energy at 0K	-280.169638
Energy at 298.15K	-280.171377
Nuclear repulsion energy	120.369041

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1428	1367	43.02
2	A₁	1151	1102	1.01
3	A₁	193	185	1.52
4	B₁	822	788	13.25
5	B₂	1061	1016	13.91
6	B₂	439	421	20.58

Atom	y (Å)	z (Å)
N1	0.000	0.037
O2	0.000	1.241
O3	1.038	-0.637
O4	-1.038	-0.637

	N1	O2	O3	O4
N1		1.2038	1.2379	1.2379
O2	1.2038		2.1457	2.1457
O3	1.2379	2.1457		2.0767
O4	1.2379	2.1457	2.0767

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	N1	O3	122.987		O2	N1	O4	122.987
O3	N1	O4	114.027

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

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

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	0.905
2	O	-0.339
3	O	-0.283
4	O	-0.283

	x	y	z	Total
	0.000	0.000	-0.118	0.118
CHELPG
AIM
ESP

<r²>	49.237
(<r²>)^1/2	7.017

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

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

States and conformations

Conformer 1 (all bonds equal)

Conformer 2 (one short, two long)

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