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	hartrees
Energy at 0K	-407.489696
Energy at 298.15K
HF Energy	-407.489696
Nuclear repulsion energy	226.710208

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	1195	1184	0.00	10.00	0.21	0.35
2	A_g	759	752	0.00	10.58	0.15	0.25
3	A_g	286	283	0.00	22.31	0.32	0.49
4	A_u	102	101	0.00	0.00	0.00	0.00
5	B_1u	1049	1040	319.65	0.00	0.00	0.00
6	B_1u	665	659	141.85	0.00	0.00	0.00
7	B_2g	571	566	0.00	0.12	0.75	0.86
8	B_2u	1472	1458	206.08	0.00	0.00	0.00
9	B_2u	155	154	0.38	0.00	0.00	0.00
10	B_3g	1456	1443	0.00	7.83	0.75	0.86
11	B_3g	429	425	0.00	9.73	0.75	0.86
12	B_3u	360	356	5.80	0.00	0.00	0.00

Atom	y (Å)	z (Å)
N1	0.000	0.919
N2	0.000	-0.919
O3	1.162	1.390
O4	-1.162	1.390
O5	1.162	-1.390
O6	-1.162	-1.390

	N1	N2	O3	O4	O5	O6
N1		1.8375	1.2539	1.2539	2.5847	2.5847
N2	1.8375		2.5847	2.5847	1.2539	1.2539
O3	1.2539	2.5847		2.3239	2.7800	3.6234
O4	1.2539	2.5847	2.3239		3.6234	2.7800
O5	2.5847	1.2539	2.7800	3.6234		2.3239
O6	2.5847	1.2539	3.6234	2.7800	2.3239

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	O5	112.076	N1	N2	O6	112.076
N2	N1	O3	112.076	N2	N1	O4	112.076
O3	N1	O4	135.849	O5	N2	O6	135.849

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

using model chemistry: PBEPBE/3-21G

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	0.422
2	N	0.422
3	O	-0.211
4	O	-0.211
5	O	-0.211
6	O	-0.211

<r²>	137.084
(<r²>)^1/2	11.708

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

using model chemistry: PBEPBE/3-21G

States and conformations

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