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	hartrees
Energy at 0K	-276.340566
Energy at 298.15K	-276.342249
Nuclear repulsion energy	108.719883

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1284	1129	42.26
2	A₁	911	800	17.39
3	A₁	506	445	5.56
4	B₁	553	486	2.88
5	B₂	1671	1468	41.86
6	B₂	333	293	1.14

Atom	y (Å)	z (Å)
N1	0.000	-0.113
O2	0.000	1.382
O3	1.185	-0.641
O4	-1.185	-0.641

	N1	O2	O3	O4
N1		1.4950	1.2968	1.2968
O2	1.4950		2.3440	2.3440
O3	1.2968	2.3440		2.3690
O4	1.2968	2.3440	2.3690

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	N1	O3	114.015		O2	N1	O4	114.015
O3	N1	O4	131.970

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

using model chemistry: mPW1PW91/STO-3G

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	0.155
2	O	0.043
3	O	-0.099
4	O	-0.099

	x	y	z	Total
	0.000	0.000	0.817	0.817
CHELPG
AIM
ESP

<r²>	56.228
(<r²>)^1/2	7.499

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

using model chemistry: mPW1PW91/STO-3G

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)