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	hartrees
Energy at 0K	-409.977130
Energy at 298.15K
HF Energy	-409.977130
Nuclear repulsion energy	233.128344

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	1408	1399	0.00	15.04	0.33	0.50
2	A_g	823	817	0.00	11.85	0.10	0.18
3	A_g	268	266	0.00	29.59	0.29	0.45
4	A_u	88	87	0.00	0.00	0.00	0.00
5	B_1u	1264	1255	434.75	0.00	0.00	0.00
6	B_1u	732	727	247.55	0.00	0.00	0.00
7	B_2g	641	637	0.00	0.20	0.75	0.86
8	B_2u	1774	1762	562.47	0.00	0.00	0.00
9	B_2u	194	193	0.09	0.00	0.00	0.00
10	B_3g	1747	1735	0.00	13.01	0.75	0.86
11	B_3g	460	457	0.00	9.78	0.75	0.86
12	B_3u	398	396	10.59	0.00	0.00	0.00

Atom	y (Å)	z (Å)
N1	0.000	0.929
N2	0.000	-0.929
O3	1.106	1.390
O4	-1.106	1.390
O5	1.106	-1.390
O6	-1.106	-1.390

	N1	N2	O3	O4	O5	O6
N1		1.8583	1.1978	1.1978	2.5690	2.5690
N2	1.8583		2.5690	2.5690	1.1978	1.1978
O3	1.1978	2.5690		2.2114	2.7795	3.5518
O4	1.1978	2.5690	2.2114		3.5518	2.7795
O5	2.5690	1.1978	2.7795	3.5518		2.2114
O6	2.5690	1.1978	3.5518	2.7795	2.2114

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	O5	112.616	N1	N2	O6	112.616
N2	N1	O3	112.616	N2	N1	O4	112.616
O3	N1	O4	134.769	O5	N2	O6	134.769

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

using model chemistry: PBEPBEultrafine/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	0.276
2	N	0.276
3	O	-0.138
4	O	-0.138
5	O	-0.138
6	O	-0.138

<r²>	133.439
(<r²>)^1/2	11.552

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

using model chemistry: PBEPBEultrafine/cc-pVTZ

States and conformations

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