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	hartrees
Energy at 0K	-408.199534
Energy at 298.15K	-408.202869
Nuclear repulsion energy	236.970344

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1460	1438	0.00
2	A_g	830	818	0.00
3	A_g	302	298	0.00
4	A_u	92	91	0.00
5	B_1u	1337	1317	387.10
6	B_1u	739	728	210.99
7	B_2g	664	654	0.00
8	B_2u	1887	1859	586.39
9	B_2u	216	212	0.09
10	B_3g	1857	1829	0.00
11	B_3g	492	485	0.00
12	B_3u	416	410	12.67

Atom	y (Å)	z (Å)
N1	0.000	0.886
N2	0.000	-0.886
O3	1.104	1.342
O4	-1.104	1.342
O5	1.104	-1.342
O6	-1.104	-1.342

	N1	N2	O3	O4	O5	O6
N1		1.7717	1.1944	1.1944	2.4862	2.4862
N2	1.7717		2.4862	2.4862	1.1944	1.1944
O3	1.1944	2.4862		2.2078	2.6836	3.4751
O4	1.1944	2.4862	2.2078		3.4751	2.6836
O5	2.4862	1.1944	2.6836	3.4751		2.2078
O6	2.4862	1.1944	3.4751	2.6836	2.2078

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	O5	112.442	N1	N2	O6	112.442
N2	N1	O3	112.442	N2	N1	O4	112.442
O3	N1	O4	135.115	O5	N2	O6	135.115

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

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

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	0.011
2	N	0.011
3	O	-0.006
4	O	-0.006
5	O	-0.006
6	O	-0.006

<r²>	0.000
(<r²>)^1/2	0.000

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

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

States and conformations

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