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	hartrees
Energy at 0K	-409.848922
Energy at 298.15K
HF Energy	-409.848922
Nuclear repulsion energy	233.325662

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A_g	1419	1404	0.00	14.89	0.27	0.43
2	A_g	818	810	0.00	11.37	0.09	0.17
3	A_g	270	267	0.00	26.17	0.29	0.45
4	A_u	93	92	0.00	0.00	0.00	0.00
5	B_1u	1280	1266	389.87	0.00	0.00	0.00
6	B_1u	728	721	213.66	0.00	0.00	0.00
7	B_2g	647	641	0.00	0.05	0.75	0.86
8	B_2u	1803	1784	492.81	0.00	0.00	0.00
9	B_2u	191	189	0.15	0.00	0.00	0.00
10	B_3g	1778	1760	0.00	9.25	0.75	0.86
11	B_3g	462	457	0.00	8.44	0.75	0.86
12	B_3u	399	395	10.22	0.00	0.00	0.00

Atom	y (Å)	z (Å)
N1	0.000	0.921
N2	0.000	-0.921
O3	1.109	1.381
O4	-1.109	1.381
O5	1.109	-1.381
O6	-1.109	-1.381

	N1	N2	O3	O4	O5	O6
N1		1.8417	1.2011	1.2011	2.5552	2.5552
N2	1.8417		2.5552	2.5552	1.2011	1.2011
O3	1.2011	2.5552		2.2190	2.7619	3.5429
O4	1.2011	2.5552	2.2190		3.5429	2.7619
O5	2.5552	1.2011	2.7619	3.5429		2.2190
O6	2.5552	1.2011	3.5429	2.7619	2.2190

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	O5	112.524	N1	N2	O6	112.524
N2	N1	O3	112.524	N2	N1	O4	112.524
O3	N1	O4	134.953	O5	N2	O6	134.953

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

using model chemistry: PBEPBEultrafine/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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Number	Element	Mulliken
1	N	0.501
2	N	0.501
3	O	-0.251
4	O	-0.251
5	O	-0.251
6	O	-0.251

<r²>	132.308
(<r²>)^1/2	11.503

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

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

States and conformations

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