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	hartrees
Energy at 0K	-278.723096
Energy at 298.15K	-278.725315
Nuclear repulsion energy	115.572396

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1358	1222	150.15
2	A₁	948	853	69.18
3	A₁	653	588	8.88
4	B₁	752	677	21.53
5	B₂	1546	1391	864.76
6	B₂	535	481	6.51

Atom	y (Å)	z (Å)
N1	0.000	-0.101
O2	0.000	1.305
O3	1.109	-0.608
O4	-1.109	-0.608

	N1	O2	O3	O4
N1		1.4056	1.2197	1.2197
O2	1.4056		2.2114	2.2114
O3	1.2197	2.2114		2.2181
O4	1.2197	2.2114	2.2181

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	N1	O3	114.593		O2	N1	O4	114.593
O3	N1	O4	130.814

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

using model chemistry: HF/LANL2DZ

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	0.474
2	O	0.005
3	O	-0.240
4	O	-0.240

	x	y	z	Total
	0.000	0.000	1.455	1.455
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: HF/LANL2DZ

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)