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	hartrees
Energy at 0K	-407.449173
Energy at 298.15K
HF Energy	-407.449173
Nuclear repulsion energy	232.939194

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	1253	1207	0.00	11.37	0.43	0.60
2	A_g	808	778	0.00	13.09	0.12	0.21
3	A_g	335	322	0.00	25.97	0.34	0.50
4	A_u	111	107	0.00	0.00	0.00	0.00
5	B_1u	1123	1082	356.65	0.00	0.00	0.00
6	B_1u	715	689	155.88	0.00	0.00	0.00
7	B_2g	649	625	0.00	0.34	0.75	0.86
8	B_2u	1573	1515	288.49	0.00	0.00	0.00
9	B_2u	206	198	0.57	0.00	0.00	0.00
10	B_3g	1546	1489	0.00	4.59	0.75	0.86
11	B_3g	482	465	0.00	9.40	0.75	0.86
12	B_3u	416	401	12.07	0.00	0.00	0.00

Atom	y (Å)	z (Å)
N1	0.000	0.879
N2	0.000	-0.879
O3	1.140	1.339
O4	-1.140	1.339
O5	1.140	-1.339
O6	-1.140	-1.339

	N1	N2	O3	O4	O5	O6
N1		1.7580	1.2295	1.2295	2.4940	2.4940
N2	1.7580		2.4940	2.4940	1.2295	1.2295
O3	1.2295	2.4940		2.2803	2.6783	3.5175
O4	1.2295	2.4940	2.2803		3.5175	2.6783
O5	2.4940	1.2295	2.6783	3.5175		2.2803
O6	2.4940	1.2295	3.5175	2.6783	2.2803

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	O5	111.978	N1	N2	O6	111.978
N2	N1	O3	111.978	N2	N1	O4	111.978
O3	N1	O4	136.043	O5	N2	O6	136.043

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

using model chemistry: HSEh1PBE/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	0.488
2	N	0.488
3	O	-0.244
4	O	-0.244
5	O	-0.244
6	O	-0.244

<r²>	130.372
(<r²>)^1/2	11.418

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

using model chemistry: HSEh1PBE/3-21G

States and conformations

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