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	hartrees
Energy at 0K	-280.142754
Energy at 298.15K	-280.144690
Nuclear repulsion energy	119.875871

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1563	1487	117.52
2	A₁	1153	1097	2.27
3	A₁	355	338	0.55
4	B₁	804	765	17.21
5	B₂	963	917	49.88
6	B₂	453	431	42.79

Atom	y (Å)	z (Å)
N1	0.000	0.052
O2	0.000	1.254
O3	1.031	-0.650
O4	-1.031	-0.650

	N1	O2	O3	O4
N1		1.2017	1.2475	1.2475
O2	1.2017		2.1653	2.1653
O3	1.2475	2.1653		2.0619
O4	1.2475	2.1653	2.0619

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	N1	O3	124.271		O2	N1	O4	124.271
O3	N1	O4	111.458

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

using model chemistry: mPW1PW91/6-31G**

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	0.780
2	O	-0.325
3	O	-0.228
4	O	-0.228

	x	y	z	Total
	0.000	0.000	-0.138	0.138
CHELPG
AIM
ESP

<r²>	49.695
(<r²>)^1/2	7.049

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

using model chemistry: mPW1PW91/6-31G**

States and conformations

Conformer 1 (all bonds equal)

Conformer 2 (one short, two long)

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