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	hartrees
Energy at 0K	-410.168926
Energy at 298.15K
HF Energy	-410.168926
Nuclear repulsion energy	237.820255

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	1470	1417	0.00	19.92	0.52	0.68
2	A_g	863	832	0.00	17.65	0.12	0.21
3	A_g	308	297	0.00	39.06	0.31	0.48
4	A_u	86	83	0.00	0.00	0.00	0.00
5	B_1u	1329	1281	498.98	0.00	0.00	0.00
6	B_1u	778	750	275.28	0.00	0.00	0.00
7	B_2g	685	661	0.00	0.70	0.75	0.86
8	B_2u	1860	1793	736.68	0.00	0.00	0.00
9	B_2u	237	228	0.13	0.00	0.00	0.00
10	B_3g	1828	1763	0.00	10.35	0.75	0.86
11	B_3g	507	489	0.00	10.37	0.75	0.86
12	B_3u	447	431	14.20	0.00	0.00	0.00

Atom	y (Å)	z (Å)
N1	0.000	0.893
N2	0.000	-0.893
O3	1.092	1.350
O4	-1.092	1.350
O5	1.092	-1.350
O6	-1.092	-1.350

	N1	N2	O3	O4	O5	O6
N1		1.7865	1.1833	1.1833	2.4948	2.4948
N2	1.7865		2.4948	2.4948	1.1833	1.1833
O3	1.1833	2.4948		2.1831	2.7002	3.4723
O4	1.1833	2.4948	2.1831		3.4723	2.7002
O5	2.4948	1.1833	2.7002	3.4723		2.1831
O6	2.4948	1.1833	3.4723	2.7002	2.1831

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	O5	112.709	N1	N2	O6	112.709
N2	N1	O3	112.709	N2	N1	O4	112.709
O3	N1	O4	134.582	O5	N2	O6	134.582

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

using model chemistry: B3PW91/TZVP

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	0.159
2	N	0.159
3	O	-0.080
4	O	-0.080
5	O	-0.080
6	O	-0.080

<r²>	128.430
(<r²>)^1/2	11.333

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

using model chemistry: B3PW91/TZVP

States and conformations

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