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	hartrees
Energy at 0K	-280.155619
Energy at 298.15K	-280.157426
Nuclear repulsion energy	119.855984

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1482	1410	93.52
2	A₁	1150	1094	2.67
3	A₁	300	286	0.15
4	B₁	805	766	11.99
5	B₂	972	925	40.58
6	B₂	381	363	61.70

Atom	y (Å)	z (Å)
N1	0.000	0.043
O2	0.000	1.249
O3	1.039	-0.643
O4	-1.039	-0.643

	N1	O2	O3	O4
N1		1.2060	1.2450	1.2450
O2	1.2060		2.1585	2.1585
O3	1.2450	2.1585		2.0780
O4	1.2450	2.1585	2.0780

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	N1	O3	123.433		O2	N1	O4	123.433
O3	N1	O4	113.135

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

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

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	0.061
2	O	-0.056
3	O	-0.002
4	O	-0.002

	x	y	z	Total
	0.000	0.000	-0.142	0.142
CHELPG
AIM
ESP

<r²>	50.089
(<r²>)^1/2	7.077

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

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

States and conformations

Conformer 1 (all bonds equal)

Conformer 2 (one short, two long)

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