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	hartrees
Energy at 0K	-408.178583
Energy at 298.15K	-408.181974
Nuclear repulsion energy	237.597471

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1470	1442	0.00
2	A_g	835	819	0.00
3	A_g	311	305	0.00
4	A_u	104	102	0.00
5	B_1u	1348	1323	358.82
6	B_1u	749	735	190.67
7	B_2g	671	659	0.00
8	B_2u	1906	1870	478.26
9	B_2u	222	217	0.27
10	B_3g	1877	1842	0.00
11	B_3g	505	495	0.00
12	B_3u	417	409	13.06

Atom	y (Å)	z (Å)
N1	0.000	0.878
N2	0.000	-0.878
O3	1.105	1.332
O4	-1.105	1.332
O5	1.105	-1.332
O6	-1.105	-1.332

	N1	N2	O3	O4	O5	O6
N1		1.7561	1.1946	1.1946	2.4711	2.4711
N2	1.7561		2.4711	2.4711	1.1946	1.1946
O3	1.1946	2.4711		2.2099	2.6644	3.4616
O4	1.1946	2.4711	2.2099		3.4616	2.6644
O5	2.4711	1.1946	2.6644	3.4616		2.2099
O6	2.4711	1.1946	3.4616	2.6644	2.2099

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	O5	112.343	N1	N2	O6	112.343
N2	N1	O3	112.343	N2	N1	O4	112.343
O3	N1	O4	135.314	O5	N2	O6	135.314

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

using model chemistry: LSDA/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	0.516
2	N	0.516
3	O	-0.258
4	O	-0.258
5	O	-0.258
6	O	-0.258

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: LSDA/6-31G**

States and conformations

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