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	hartrees
Energy at 0K	-410.024163
Energy at 298.15K
HF Energy	-410.024163
Nuclear repulsion energy	231.921014

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	1434	1422	0.00	13.82	0.25	0.40
2	A_g	826	819	0.00	8.52	0.13	0.23
3	A_g	258	256	0.00	26.61	0.30	0.46
4	A_u	91	90	0.00	0.00	0.00	0.00
5	B_1u	1282	1272	477.33	0.00	0.00	0.00
6	B_1u	736	730	256.76	0.00	0.00	0.00
7	B_2g	621	616	0.00	0.13	0.75	0.86
8	B_2u	1806	1791	517.90	0.00	0.00	0.00
9	B_2u	182	181	0.21	0.00	0.00	0.00
10	B_3g	1782	1767	0.00	10.33	0.75	0.86
11	B_3g	447	443	0.00	9.80	0.75	0.86
12	B_3u	388	384	10.17	0.00	0.00	0.00

Atom	y (Å)	z (Å)
N1	0.000	0.946
N2	0.000	-0.946
O3	1.106	1.405
O4	-1.106	1.405
O5	1.106	-1.405
O6	-1.106	-1.405

	N1	N2	O3	O4	O5	O6
N1		1.8914	1.1980	1.1980	2.5982	2.5982
N2	1.8914		2.5982	2.5982	1.1980	1.1980
O3	1.1980	2.5982		2.2128	2.8104	3.5770
O4	1.1980	2.5982	2.2128		3.5770	2.8104
O5	2.5982	1.1980	2.8104	3.5770		2.2128
O6	2.5982	1.1980	3.5770	2.8104	2.2128

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	O5	112.554	N1	N2	O6	112.554
N2	N1	O3	112.554	N2	N1	O4	112.554
O3	N1	O4	134.893	O5	N2	O6	134.893

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

using model chemistry: B97D3/cc-pVDZ

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	0.276
2	N	0.276
3	O	-0.138
4	O	-0.138
5	O	-0.138
6	O	-0.138

<r²>	134.932
(<r²>)^1/2	11.616

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

using model chemistry: B97D3/cc-pVDZ

States and conformations

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