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	hartrees
Energy at 0K	-276.334494
Energy at 298.15K	-276.336005
Nuclear repulsion energy	110.263015

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1662	1468	43.61
2	A₁	1028	908	0.01
3	A₁	426	376	3.51
4	B₁	488	431	3.54
5	B₂	556	491	113.18
6	B₂	488	431	2.03

Atom	y (Å)	z (Å)
N1	0.000	0.126
O2	0.000	1.417
O3	1.047	-0.764
O4	-1.047	-0.764

	N1	O2	O3	O4
N1		1.2911	1.3740	1.3740
O2	1.2911		2.4190	2.4190
O3	1.3740	2.4190		2.0941
O4	1.3740	2.4190	2.0941

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	N1	O3	130.353		O2	N1	O4	130.353
O3	N1	O4	99.293

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

using model chemistry: B1B95/STO-3G

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	0.159
2	O	-0.081
3	O	-0.039
4	O	-0.039

	x	y	z	Total
	0.000	0.000	-0.048	0.048
CHELPG
AIM
ESP

<r²>	54.896
(<r²>)^1/2	7.409

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

using model chemistry: B1B95/STO-3G

States and conformations

Conformer 1 (all bonds equal)

Conformer 2 (one short, two long)

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