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	hartrees
Energy at 0K	-409.949537
Energy at 298.15K
HF Energy	-409.949537
Nuclear repulsion energy	239.940440

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	1488	1430	0.00	19.18	0.54	0.70
2	A_g	870	836	0.00	17.13	0.12	0.21
3	A_g	321	308	0.00	33.86	0.31	0.47
4	A_u	92	88	0.00	0.00	0.00	0.00
5	B_1u	1355	1303	459.58	0.00	0.00	0.00
6	B_1u	785	754	254.09	0.00	0.00	0.00
7	B_2g	744	715	0.00	0.37	0.75	0.86
8	B_2u	1901	1827	727.54	0.00	0.00	0.00
9	B_2u	249	240	0.10	0.00	0.00	0.00
10	B_3g	1867	1795	0.00	7.38	0.75	0.86
11	B_3g	529	508	0.00	9.21	0.75	0.86
12	B_3u	469	450	18.20	0.00	0.00	0.00

Atom	y (Å)	z (Å)
N1	0.000	0.875
N2	0.000	-0.875
O3	1.088	1.328
O4	-1.088	1.328
O5	1.088	-1.328
O6	-1.088	-1.328

	N1	N2	O3	O4	O5	O6
N1		1.7500	1.1790	1.1790	2.4572	2.4572
N2	1.7500		2.4572	2.4572	1.1790	1.1790
O3	1.1790	2.4572		2.1770	2.6559	3.4341
O4	1.1790	2.4572	2.1770		3.4341	2.6559
O5	2.4572	1.1790	2.6559	3.4341		2.1770
O6	2.4572	1.1790	3.4341	2.6559	2.1770

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	O5	112.593	N1	N2	O6	112.593
N2	N1	O3	112.593	N2	N1	O4	112.593
O3	N1	O4	134.813	O5	N2	O6	134.813

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

using model chemistry: HSEh1PBE/cc-pVTZ

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	0.334
2	N	0.334
3	O	-0.167
4	O	-0.167
5	O	-0.167
6	O	-0.167

<r²>	125.597
(<r²>)^1/2	11.207

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

using model chemistry: HSEh1PBE/cc-pVTZ

States and conformations

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