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	hartrees
Energy at 0K	-409.973953
Energy at 298.15K
HF Energy	-409.973953
Nuclear repulsion energy	232.396695

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	1403	1387	0.00	16.09	0.34	0.50
2	A_g	822	813	0.00	12.68	0.11	0.19
3	A_g	266	263	0.00	33.19	0.30	0.46
4	A_u	85	84	0.00	0.00	0.00	0.00
5	B_1u	1258	1244	461.14	0.00	0.00	0.00
6	B_1u	735	727	260.31	0.00	0.00	0.00
7	B_2g	609	603	0.00	0.46	0.75	0.86
8	B_2u	1762	1742	594.58	0.00	0.00	0.00
9	B_2u	196	194	0.09	0.00	0.00	0.00
10	B_3g	1735	1715	0.00	16.16	0.75	0.86
11	B_3g	452	447	0.00	10.58	0.75	0.86
12	B_3u	393	388	8.29	0.00	0.00	0.00

Atom	y (Å)	z (Å)
N1	0.000	0.936
N2	0.000	-0.936
O3	1.106	1.399
O4	-1.106	1.399
O5	1.106	-1.399
O6	-1.106	-1.399

	N1	N2	O3	O4	O5	O6
N1		1.8726	1.1990	1.1990	2.5840	2.5840
N2	1.8726		2.5840	2.5840	1.1990	1.1990
O3	1.1990	2.5840		2.2123	2.7980	3.5669
O4	1.1990	2.5840	2.2123		3.5669	2.7980
O5	2.5840	1.1990	2.7980	3.5669		2.2123
O6	2.5840	1.1990	3.5669	2.7980	2.2123

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	O5	112.699	N1	N2	O6	112.699
N2	N1	O3	112.699	N2	N1	O4	112.699
O3	N1	O4	134.602	O5	N2	O6	134.602

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

using model chemistry: PBEPBEultrafine/TZVP

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	0.073
2	N	0.073
3	O	-0.036
4	O	-0.036
5	O	-0.036
6	O	-0.036

<r²>	134.832
(<r²>)^1/2	11.612

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

using model chemistry: PBEPBEultrafine/TZVP

States and conformations

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