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	hartrees
Energy at 0K	-280.255683
Energy at 298.15K	-280.257362
Nuclear repulsion energy	120.566781

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1375	1316	42.25
2	A₁	1138	1089	1.59
3	A₁	171	164	2.10
4	B₁	821	785	13.87
5	B₂	1036	991	10.39
6	B₂	413	395	24.20

Atom	y (Å)	z (Å)
N1	0.000	0.033
O2	0.000	1.237
O3	1.040	-0.633
O4	-1.040	-0.633

	N1	O2	O3	O4
N1		1.2033	1.2350	1.2350
O2	1.2033		2.1392	2.1392
O3	1.2350	2.1392		2.0797
O4	1.2350	2.1392	2.0797

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	N1	O3	122.647		O2	N1	O4	122.647
O3	N1	O4	114.706

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

using model chemistry: B1B95/cc-pVTZ

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	0.469
2	O	-0.179
3	O	-0.145
4	O	-0.145

	x	y	z	Total
	0.000	0.000	-0.105	0.105
CHELPG
AIM
ESP

<r²>	49.353
(<r²>)^1/2	7.025

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

using model chemistry: B1B95/cc-pVTZ

States and conformations

Conformer 1 (all bonds equal)

Conformer 2 (one short, two long)

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