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	hartrees
Energy at 0K	-279.504468
Energy at 298.15K	-279.506576
HF Energy	-278.807193
Nuclear repulsion energy	116.346733

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1362	1273	146.00
2	A₁	901	842	85.23
3	A₁	621	580	0.01
4	B₁	743	694	11.53
5	B₂	1906	1781	188.65
6	B₂	425	397	9.31

Atom	y (Å)	z (Å)
N1	0.000	-0.109
O2	0.000	1.280
O3	1.115	-0.592
O4	-1.115	-0.592

	N1	O2	O3	O4
N1		1.3894	1.2155	1.2155
O2	1.3894		2.1797	2.1797
O3	1.2155	2.1797		2.2305
O4	1.2155	2.1797	2.2305

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	N1	O3	113.435		O2	N1	O4	113.435
O3	N1	O4	133.131

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

using model chemistry: MP2=FULL/6-31G**

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

using model chemistry: MP2=FULL/6-31G**

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)