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	hartrees
Energy at 0K	-410.101900
Energy at 298.15K	-410.105433
Nuclear repulsion energy	239.603768

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1487	1424	0.00
2	A_g	856	820	0.00
3	A_g	318	305	0.00
4	A_u	98	94	0.00
5	B_1u	1358	1300	418.00
6	B_1u	772	739	227.01
7	B_2g	738	707	0.00
8	B_2u	1911	1830	633.91
9	B_2u	248	238	0.13
10	B_3g	1879	1800	0.00
11	B_3g	523	501	0.00
12	B_3u	462	442	17.42

Atom	y (Å)	z (Å)
N1	0.000	0.873
N2	0.000	-0.873
O3	1.093	1.325
O4	-1.093	1.325
O5	1.093	-1.325
O6	-1.093	-1.325

	N1	N2	O3	O4	O5	O6
N1		1.7450	1.1831	1.1831	2.4543	2.4543
N2	1.7450		2.4543	2.4543	1.1831	1.1831
O3	1.1831	2.4543		2.1864	2.6498	3.4354
O4	1.1831	2.4543	2.1864		3.4354	2.6498
O5	2.4543	1.1831	2.6498	3.4354		2.1864
O6	2.4543	1.1831	3.4354	2.6498	2.1864

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	O5	112.481	N1	N2	O6	112.481
N2	N1	O3	112.481	N2	N1	O4	112.481
O3	N1	O4	135.037	O5	N2	O6	135.037

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

using model chemistry: B1B95/6-31G(2df,p)

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	0.591
2	N	0.591
3	O	-0.295
4	O	-0.295
5	O	-0.295
6	O	-0.295

<r²>	125.202
(<r²>)^1/2	11.189

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

using model chemistry: B1B95/6-31G(2df,p)

States and conformations

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