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	hartrees
Energy at 0K	-409.996830
Energy at 298.15K
HF Energy	-409.996830
Nuclear repulsion energy	230.778894

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	1421	1397	0.00	18.27	0.49	0.65
2	A_g	813	799	0.00	17.70	0.10	0.17
3	A_g	251	247	0.00	37.10	0.28	0.44
4	A_u	81	80	0.00	0.00	0.00	0.00
5	B_1u	1274	1252	491.24	0.00	0.00	0.00
6	B_1u	718	705	279.78	0.00	0.00	0.00
7	B_2g	606	596	0.00	0.22	0.75	0.86
8	B_2u	1790	1759	612.91	0.00	0.00	0.00
9	B_2u	180	177	0.06	0.00	0.00	0.00
10	B_3g	1764	1733	0.00	24.93	0.75	0.86
11	B_3g	434	427	0.00	9.41	0.75	0.86
12	B_3u	383	377	9.74	0.00	0.00	0.00

Atom	y (Å)	z (Å)
N1	0.000	0.953
N2	0.000	-0.953
O3	1.109	1.417
O4	-1.109	1.417
O5	1.109	-1.417
O6	-1.109	-1.417

	N1	N2	O3	O4	O5	O6
N1		1.9067	1.2019	1.2019	2.6171	2.6171
N2	1.9067		2.6171	2.6171	1.2019	1.2019
O3	1.2019	2.6171		2.2175	2.8345	3.5989
O4	1.2019	2.6171	2.2175		3.5989	2.8345
O5	2.6171	1.2019	2.8345	3.5989		2.2175
O6	2.6171	1.2019	3.5989	2.8345	2.2175

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	O5	112.705	N1	N2	O6	112.705
N2	N1	O3	112.705	N2	N1	O4	112.705
O3	N1	O4	134.590	O5	N2	O6	134.590

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

using model chemistry: B97D3/6-31+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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Number	Element	Mulliken
1	N	-0.045
2	N	-0.045
3	O	0.022
4	O	0.022
5	O	0.022
6	O	0.022

<r²>	137.087
(<r²>)^1/2	11.708

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

using model chemistry: B97D3/6-31+G**

States and conformations

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