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	hartrees
Energy at 0K	-409.817238
Energy at 298.15K
HF Energy	-409.817238
Nuclear repulsion energy	232.335490

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	1424	1404	0.00	14.40	0.25	0.40
2	A_g	811	800	0.00	9.59	0.12	0.21
3	A_g	266	262	0.00	26.80	0.30	0.46
4	A_u	94	93	0.00	0.00	0.00	0.00
5	B_1u	1286	1268	414.87	0.00	0.00	0.00
6	B_1u	725	715	217.37	0.00	0.00	0.00
7	B_2g	623	614	0.00	0.15	0.75	0.86
8	B_2u	1807	1783	476.85	0.00	0.00	0.00
9	B_2u	191	188	0.21	0.00	0.00	0.00
10	B_3g	1784	1760	0.00	9.86	0.75	0.86
11	B_3g	460	454	0.00	9.33	0.75	0.86
12	B_3u	389	384	10.23	0.00	0.00	0.00

Atom	y (Å)	z (Å)
N1	0.000	0.923
N2	0.000	-0.923
O3	1.114	1.386
O4	-1.114	1.386
O5	1.114	-1.386
O6	-1.114	-1.386

	N1	N2	O3	O4	O5	O6
N1		1.8454	1.2071	1.2071	2.5640	2.5640
N2	1.8454		2.5640	2.5640	1.2071	1.2071
O3	1.2071	2.5640		2.2290	2.7728	3.5577
O4	1.2071	2.5640	2.2290		3.5577	2.7728
O5	2.5640	1.2071	2.7728	3.5577		2.2290
O6	2.5640	1.2071	3.5577	2.7728	2.2290

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	O5	112.592	N1	N2	O6	112.592
N2	N1	O3	112.592	N2	N1	O4	112.592
O3	N1	O4	134.815	O5	N2	O6	134.815

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

using model chemistry: PBEPBE/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	0.527
2	N	0.527
3	O	-0.264
4	O	-0.264
5	O	-0.264
6	O	-0.264

<r²>	133.364
(<r²>)^1/2	11.548

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

using model chemistry: PBEPBE/6-31G**

States and conformations

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