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	hartrees
Energy at 0K	-280.016702
Energy at 298.15K	-280.018382
Nuclear repulsion energy	116.493599

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1476	1397	148.12
2	A₁	1021	966	4.60
3	A₁	441	417	6.35
4	B₁	737	698	10.52
5	B₂	681	644	34.53
6	B₂	264	250	168.97

Atom	y (Å)	z (Å)
N1	0.000	0.066
O2	0.000	1.291
O3	1.057	-0.674
O4	-1.057	-0.674

	N1	O2	O3	O4
N1		1.2246	1.2907	1.2907
O2	1.2246		2.2315	2.2315
O3	1.2907	2.2315		2.1140
O4	1.2907	2.2315	2.1140

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	N1	O3	125.020		O2	N1	O4	125.020
O3	N1	O4	109.960

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	0.418
2	O	-0.189
3	O	-0.114
4	O	-0.114

	x	y	z	Total
	0.000	0.000	-0.087	0.087
CHELPG
AIM
ESP

<r²>	52.375
(<r²>)^1/2	7.237

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)