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	hartrees
Energy at 0K	-410.372880
Energy at 298.15K
HF Energy	-410.372880
Nuclear repulsion energy	237.103188

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	1447	1402	0.00	25.45	0.63	0.77
2	A_g	851	825	0.00	27.41	0.12	0.22
3	A_g	294	285	0.00	43.80	0.28	0.44
4	A_u	88	85	0.00	0.00	0.00	0.00
5	B_1u	1305	1265	481.18	0.00	0.00	0.00
6	B_1u	763	739	277.76	0.00	0.00	0.00
7	B_2g	702	681	0.00	0.31	0.75	0.86
8	B_2u	1817	1761	736.84	0.00	0.00	0.00
9	B_2u	226	219	0.02	0.00	0.00	0.00
10	B_3g	1785	1729	0.00	13.21	0.75	0.86
11	B_3g	497	482	0.00	8.34	0.75	0.86
12	B_3u	444	431	16.46	0.00	0.00	0.00

Atom	y (Å)	z (Å)
N1	0.000	0.901
N2	0.000	-0.901
O3	1.093	1.357
O4	-1.093	1.357
O5	1.093	-1.357
O6	-1.093	-1.357

	N1	N2	O3	O4	O5	O6
N1		1.8016	1.1845	1.1845	2.5084	2.5084
N2	1.8016		2.5084	2.5084	1.1845	1.1845
O3	1.1845	2.5084		2.1863	2.7136	3.4848
O4	1.1845	2.5084	2.1863		3.4848	2.7136
O5	2.5084	1.1845	2.7136	3.4848		2.1863
O6	2.5084	1.1845	3.4848	2.7136	2.1863

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	O5	112.642	N1	N2	O6	112.642
N2	N1	O3	112.642	N2	N1	O4	112.642
O3	N1	O4	134.716	O5	N2	O6	134.716

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

using model chemistry: B3LYP/aug-cc-pVQZ

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	0.730
2	N	0.730
3	O	-0.365
4	O	-0.365
5	O	-0.365
6	O	-0.365

<r²>	129.379
(<r²>)^1/2	11.374

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

using model chemistry: B3LYP/aug-cc-pVQZ

States and conformations

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