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	hartrees
Energy at 0K	-410.168239
Energy at 298.15K	-410.171615
Nuclear repulsion energy	236.181378

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1462	1400	0.00
2	A_g	839	803	0.00
3	A_g	299	286	0.00
4	A_u	95	91	0.00
5	B_1u	1330	1275	450.34
6	B_1u	756	724	234.64
7	B_2g	681	653	0.00
8	B_2u	1858	1780	584.81
9	B_2u	228	219	0.23
10	B_3g	1831	1754	0.00
11	B_3g	500	479	0.00
12	B_3u	434	415	16.59

Atom	y (Å)	z (Å)
N1	0.000	0.892
N2	0.000	-0.892
O3	1.104	1.352
O4	-1.104	1.352
O5	1.104	-1.352
O6	-1.104	-1.352

	N1	N2	O3	O4	O5	O6
N1		1.7832	1.1961	1.1961	2.5005	2.5005
N2	1.7832		2.5005	2.5005	1.1961	1.1961
O3	1.1961	2.5005		2.2078	2.7041	3.4909
O4	1.1961	2.5005	2.2078		3.4909	2.7041
O5	2.5005	1.1961	2.7041	3.4909		2.2078
O6	2.5005	1.1961	3.4909	2.7041	2.2078

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	O5	112.643	N1	N2	O6	112.643
N2	N1	O3	112.643	N2	N1	O4	112.643
O3	N1	O4	134.715	O5	N2	O6	134.715

All results from a given calculation for N₂O₄ (Dinitrogen tetroxide)

using model chemistry: B3LYPultrafine/6-31G*

States and conformations

	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	0.588
2	N	0.588
3	O	-0.294
4	O	-0.294
5	O	-0.294
6	O	-0.294

<r²>	129.020
(<r²>)^1/2	11.359

All results from a given calculation for N2O4 (Dinitrogen tetroxide)

using model chemistry: B3LYPultrafine/6-31G*

States and conformations

All results from a given calculation for N₂O₄ (Dinitrogen tetroxide)