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	hartrees
Energy at 0K	-409.815619
Energy at 298.15K
HF Energy	-409.815619
Nuclear repulsion energy	226.246101

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	1305	1305	0.00	15.06	0.19	0.32
2	A_g	774	774	0.00	8.53	0.20	0.33
3	A_g	262	262	0.00	28.25	0.31	0.48
4	A_u	84	84	0.00	0.00	0.00	0.00
5	B_1u	1169	1169	426.58	0.00	0.00	0.00
6	B_1u	695	695	221.75	0.00	0.00	0.00
7	B_2g	557	557	0.00	0.18	0.75	0.86
8	B_2u	1625	1625	360.71	0.00	0.00	0.00
9	B_2u	171	171	0.16	0.00	0.00	0.00
10	B_3g	1603	1603	0.00	12.32	0.75	0.86
11	B_3g	407	407	0.00	10.93	0.75	0.86
12	B_3u	364	364	4.67	0.00	0.00	0.00

Atom	y (Å)	z (Å)
N1	0.000	0.962
N2	0.000	-0.962
O3	1.137	1.436
O4	-1.137	1.436
O5	1.137	-1.436
O6	-1.137	-1.436

	N1	N2	O3	O4	O5	O6
N1		1.9238	1.2318	1.2318	2.6536	2.6536
N2	1.9238		2.6536	2.6536	1.2318	1.2318
O3	1.2318	2.6536		2.2740	2.8715	3.6629
O4	1.2318	2.6536	2.2740		3.6629	2.8715
O5	2.6536	1.2318	2.8715	3.6629		2.2740
O6	2.6536	1.2318	3.6629	2.8715	2.2740

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	O5	112.625	N1	N2	O6	112.625
N2	N1	O3	112.625	N2	N1	O4	112.625
O3	N1	O4	134.750	O5	N2	O6	134.750

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

using model chemistry: B97D3/6-31G

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	0.389
2	N	0.389
3	O	-0.195
4	O	-0.195
5	O	-0.195
6	O	-0.195

<r²>	141.061
(<r²>)^1/2	11.877

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

using model chemistry: B97D3/6-31G

States and conformations

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