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	hartrees
Energy at 0K	-410.137974
Energy at 298.15K
HF Energy	-410.137974
Nuclear repulsion energy	232.522896

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	1419	1401	0.00	19.24	0.52	0.68
2	A_g	827	817	0.00	19.59	0.09	0.17
3	A_g	254	251	0.00	36.16	0.27	0.42
4	A_u	82	81	0.00	0.00	0.00	0.00
5	B_1u	1266	1249	477.98	0.00	0.00	0.00
6	B_1u	730	721	291.54	0.00	0.00	0.00
7	B_2g	629	621	0.00	0.13	0.75	0.86
8	B_2u	1783	1760	626.76	0.00	0.00	0.00
9	B_2u	182	180	0.03	0.00	0.00	0.00
10	B_3g	1749	1727	0.00	21.70	0.75	0.86
11	B_3g	435	429	0.00	8.19	0.75	0.86
12	B_3u	395	390	9.87	0.00	0.00	0.00

Atom	y (Å)	z (Å)
N1	0.000	0.951
N2	0.000	-0.951
O3	1.099	1.408
O4	-1.099	1.408
O5	1.099	-1.408
O6	-1.099	-1.408

	N1	N2	O3	O4	O5	O6
N1		1.9021	1.1908	1.1908	2.6030	2.6030
N2	1.9021		2.6030	2.6030	1.1908	1.1908
O3	1.1908	2.6030		2.1990	2.8166	3.5733
O4	1.1908	2.6030	2.1990		3.5733	2.8166
O5	2.6030	1.1908	2.8166	3.5733		2.1990
O6	2.6030	1.1908	3.5733	2.8166	2.1990

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	O5	112.581	N1	N2	O6	112.581
N2	N1	O3	112.581	N2	N1	O4	112.581
O3	N1	O4	134.838	O5	N2	O6	134.838

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

using model chemistry: B97D3/6-311+G(3df,2p)

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	0.633
2	N	0.633
3	O	-0.317
4	O	-0.317
5	O	-0.317
6	O	-0.317

<r²>	135.367
(<r²>)^1/2	11.635

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

using model chemistry: B97D3/6-311+G(3df,2p)

States and conformations

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