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	hartrees
Energy at 0K	-410.289330
Energy at 298.15K
HF Energy	-410.289330
Nuclear repulsion energy	236.810336

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	1457	1408	0.00	15.64	0.43	0.60
2	A_g	855	826	0.00	12.82	0.12	0.21
3	A_g	299	289	0.00	33.91	0.31	0.48
4	A_u	95	92	0.00	0.00	0.00	0.00
5	B_1u	1316	1272	497.13	0.00	0.00	0.00
6	B_1u	772	746	264.74	0.00	0.00	0.00
7	B_2g	683	660	0.00	0.38	0.75	0.86
8	B_2u	1842	1779	660.13	0.00	0.00	0.00
9	B_2u	229	221	0.20	0.00	0.00	0.00
10	B_3g	1811	1750	0.00	6.86	0.75	0.86
11	B_3g	500	483	0.00	10.17	0.75	0.86
12	B_3u	439	424	15.18	0.00	0.00	0.00

Atom	y (Å)	z (Å)
N1	0.000	0.899
N2	0.000	-0.899
O3	1.097	1.355
O4	-1.097	1.355
O5	1.097	-1.355
O6	-1.097	-1.355

	N1	N2	O3	O4	O5	O6
N1		1.7974	1.1879	1.1879	2.5064	2.5064
N2	1.7974		2.5064	2.5064	1.1879	1.1879
O3	1.1879	2.5064		2.1934	2.7101	3.4865
O4	1.1879	2.5064	2.1934		3.4865	2.7101
O5	2.5064	1.1879	2.7101	3.4865		2.1934
O6	2.5064	1.1879	3.4865	2.7101	2.1934

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	O5	112.594	N1	N2	O6	112.594
N2	N1	O3	112.594	N2	N1	O4	112.594
O3	N1	O4	134.812	O5	N2	O6	134.812

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

using model chemistry: B3LYPultrafine/6-311G*

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	0.344
2	N	0.344
3	O	-0.172
4	O	-0.172
5	O	-0.172
6	O	-0.172

<r²>	129.202
(<r²>)^1/2	11.367

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

using model chemistry: B3LYPultrafine/6-311G*

States and conformations

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