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	hartrees
Energy at 0K	-410.137544
Energy at 298.15K
HF Energy	-410.137544
Nuclear repulsion energy	231.721356

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	1412	1392	0.00	16.44	0.29	0.45
2	A_g	830	818	0.00	11.83	0.11	0.19
3	A_g	262	258	0.00	33.19	0.30	0.46
4	A_u	82	81	0.00	0.00	0.00	0.00
5	B_1u	1258	1240	503.79	0.00	0.00	0.00
6	B_1u	738	728	295.03	0.00	0.00	0.00
7	B_2g	600	591	0.00	0.34	0.75	0.86
8	B_2u	1765	1739	620.81	0.00	0.00	0.00
9	B_2u	192	189	0.09	0.00	0.00	0.00
10	B_3g	1738	1713	0.00	18.48	0.75	0.86
11	B_3g	440	434	0.00	10.56	0.75	0.86
12	B_3u	387	381	8.42	0.00	0.00	0.00

Atom	y (Å)	z (Å)
N1	0.000	0.955
N2	0.000	-0.955
O3	1.101	1.416
O4	-1.101	1.416
O5	1.101	-1.416
O6	-1.101	-1.416

	N1	N2	O3	O4	O5	O6
N1		1.9105	1.1940	1.1940	2.6148	2.6148
N2	1.9105		2.6148	2.6148	1.1940	1.1940
O3	1.1940	2.6148		2.2028	2.8325	3.5882
O4	1.1940	2.6148	2.2028		3.5882	2.8325
O5	2.6148	1.1940	2.8325	3.5882		2.2028
O6	2.6148	1.1940	3.5882	2.8325	2.2028

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	O5	112.713	N1	N2	O6	112.713
N2	N1	O3	112.713	N2	N1	O4	112.713
O3	N1	O4	134.575	O5	N2	O6	134.575

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

using model chemistry: B97D3/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	0.110
2	N	0.110
3	O	-0.055
4	O	-0.055
5	O	-0.055
6	O	-0.055

<r²>	136.369
(<r²>)^1/2	11.678

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

using model chemistry: B97D3/TZVP

States and conformations

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