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	hartrees
Energy at 0K	-410.150825
Energy at 298.15K
HF Energy	-410.150825
Nuclear repulsion energy	232.288328

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	1411	1411	0.00	19.93	0.51	0.68
2	A_g	828	828	0.00	20.83	0.09	0.16
3	A_g	258	258	0.00	37.11	0.26	0.42
4	A_u	82	82	0.00	0.00	0.00	0.00
5	B_1u	1258	1258	476.43	0.00	0.00	0.00
6	B_1u	732	732	288.94	0.00	0.00	0.00
7	B_2g	627	627	0.00	0.27	0.75	0.86
8	B_2u	1768	1768	628.31	0.00	0.00	0.00
9	B_2u	189	189	0.03	0.00	0.00	0.00
10	B_3g	1740	1740	0.00	21.85	0.75	0.86
11	B_3g	444	444	0.00	8.13	0.75	0.86
12	B_3u	393	393	10.44	0.00	0.00	0.00

Atom	y (Å)	z (Å)
N1	0.000	0.952
N2	0.000	-0.952
O3	1.100	1.410
O4	-1.100	1.410
O5	1.100	-1.410
O6	-1.100	-1.410

	N1	N2	O3	O4	O5	O6
N1		1.9038	1.1919	1.1919	2.6059	2.6059
N2	1.9038		2.6059	2.6059	1.1919	1.1919
O3	1.1919	2.6059		2.2005	2.8206	3.5774
O4	1.1919	2.6059	2.2005		3.5774	2.8206
O5	2.6059	1.1919	2.8206	3.5774		2.2005
O6	2.6059	1.1919	3.5774	2.8206	2.2005

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	O5	112.620	N1	N2	O6	112.620
N2	N1	O3	112.620	N2	N1	O4	112.620
O3	N1	O4	134.759	O5	N2	O6	134.759

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

using model chemistry: B97D3/daug-cc-pVTZ

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	1.927
2	N	1.927
3	O	-0.963
4	O	-0.963
5	O	-0.963
6	O	-0.963

<r²>	135.626
(<r²>)^1/2	11.646

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

using model chemistry: B97D3/daug-cc-pVTZ

States and conformations

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