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	hartrees
Energy at 0K	-410.168240
Energy at 298.15K
HF Energy	-410.168240
Nuclear repulsion energy	236.220867

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	1461	1404	0.00	15.70	0.40	0.58
2	A_g	839	806	0.00	12.73	0.11	0.20
3	A_g	300	288	0.00	31.86	0.31	0.47
4	A_u	95	92	0.00	0.00	0.00	0.00
5	B_1u	1330	1278	449.22	0.00	0.00	0.00
6	B_1u	756	727	233.68	0.00	0.00	0.00
7	B_2g	682	655	0.00	0.28	0.75	0.86
8	B_2u	1858	1785	584.36	0.00	0.00	0.00
9	B_2u	229	220	0.23	0.00	0.00	0.00
10	B_3g	1831	1759	0.00	6.43	0.75	0.86
11	B_3g	501	481	0.00	9.32	0.75	0.86
12	B_3u	434	417	16.63	0.00	0.00	0.00

Atom	y (Å)	z (Å)
N1	0.000	0.891
N2	0.000	-0.891
O3	1.104	1.351
O4	-1.104	1.351
O5	1.104	-1.351
O6	-1.104	-1.351

	N1	N2	O3	O4	O5	O6
N1		1.7819	1.1961	1.1961	2.4994	2.4994
N2	1.7819		2.4994	2.4994	1.1961	1.1961
O3	1.1961	2.4994		2.2079	2.7029	3.4901
O4	1.1961	2.4994	2.2079		3.4901	2.7029
O5	2.4994	1.1961	2.7029	3.4901		2.2079
O6	2.4994	1.1961	3.4901	2.7029	2.2079

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	O5	112.644	N1	N2	O6	112.644
N2	N1	O3	112.644	N2	N1	O4	112.644
O3	N1	O4	134.713	O5	N2	O6	134.713

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

using model chemistry: B3LYP/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	0.589
2	N	0.589
3	O	-0.294
4	O	-0.294
5	O	-0.294
6	O	-0.294

<r²>	128.957
(<r²>)^1/2	11.356

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

using model chemistry: B3LYP/6-31G**

States and conformations

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