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	hartrees
Energy at 0K	-410.356052
Energy at 298.15K
HF Energy	-410.356052
Nuclear repulsion energy	237.025057

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	1450	1396	0.00	19.70	0.51	0.68
2	A_g	852	820	0.00	18.11	0.11	0.20
3	A_g	295	284	0.00	38.41	0.30	0.46
4	A_u	88	85	0.00	0.00	0.00	0.00
5	B_1u	1308	1259	490.24	0.00	0.00	0.00
6	B_1u	763	735	283.08	0.00	0.00	0.00
7	B_2g	700	674	0.00	0.50	0.75	0.86
8	B_2u	1823	1754	725.21	0.00	0.00	0.00
9	B_2u	227	218	0.05	0.00	0.00	0.00
10	B_3g	1790	1723	0.00	10.37	0.75	0.86
11	B_3g	497	479	0.00	9.84	0.75	0.86
12	B_3u	444	428	15.91	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		1.8026	1.1848	1.1848	2.5094	2.5094
N2	1.8026		2.5094	2.5094	1.1848	1.1848
O3	1.1848	2.5094		2.1870	2.7147	3.4860
O4	1.1848	2.5094	2.1870		3.4860	2.7147
O5	2.5094	1.1848	2.7147	3.4860		2.1870
O6	2.5094	1.1848	3.4860	2.7147	2.1870

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	O5	112.639	N1	N2	O6	112.639
N2	N1	O3	112.639	N2	N1	O4	112.639
O3	N1	O4	134.723	O5	N2	O6	134.723

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

using model chemistry: B3LYP/Def2TZVPP

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	0.384
2	N	0.384
3	O	-0.192
4	O	-0.192
5	O	-0.192
6	O	-0.192

<r²>	129.368
(<r²>)^1/2	11.374

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

using model chemistry: B3LYP/Def2TZVPP

States and conformations

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