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	hartrees
Energy at 0K	-410.343502
Energy at 298.15K
HF Energy	-410.343502
Nuclear repulsion energy	236.925848

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	1443	1443	0.00	25.36	0.63	0.77
2	A_g	850	850	0.00	27.56	0.12	0.22
3	A_g	296	296	0.00	43.58	0.28	0.43
4	A_u	88	88	0.00	0.00	0.00	0.00
5	B_1u	1300	1300	479.26	0.00	0.00	0.00
6	B_1u	760	760	278.34	0.00	0.00	0.00
7	B_2g	702	702	0.00	0.32	0.75	0.86
8	B_2u	1811	1811	733.48	0.00	0.00	0.00
9	B_2u	225	225	0.02	0.00	0.00	0.00
10	B_3g	1778	1778	0.00	13.17	0.75	0.86
11	B_3g	497	497	0.00	8.36	0.75	0.86
12	B_3u	444	444	16.26	0.00	0.00	0.00

Atom	y (Å)	z (Å)
N1	0.000	0.902
N2	0.000	-0.902
O3	1.094	1.357
O4	-1.094	1.357
O5	1.094	-1.357
O6	-1.094	-1.357

	N1	N2	O3	O4	O5	O6
N1		1.8031	1.1854	1.1854	2.5100	2.5100
N2	1.8031		2.5100	2.5100	1.1854	1.1854
O3	1.1854	2.5100		2.1885	2.7147	3.4871
O4	1.1854	2.5100	2.1885		3.4871	2.7147
O5	2.5100	1.1854	2.7147	3.4871		2.1885
O6	2.5100	1.1854	3.4871	2.7147	2.1885

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	O5	112.613	N1	N2	O6	112.613
N2	N1	O3	112.613	N2	N1	O4	112.613
O3	N1	O4	134.774	O5	N2	O6	134.774

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

using model chemistry: B3LYPultrafine/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	1.824
2	N	1.824
3	O	-0.912
4	O	-0.912
5	O	-0.912
6	O	-0.912

<r²>	129.532
(<r²>)^1/2	11.381

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

using model chemistry: B3LYPultrafine/daug-cc-pVTZ

States and conformations

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