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	hartrees
Energy at 0K	-409.896521
Energy at 298.15K
HF Energy	-409.896521
Nuclear repulsion energy	232.290664

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	1410	1410	0.00	20.44	0.54	0.70
2	A_g	811	811	0.00	22.27	0.10	0.18
3	A_g	260	260	0.00	37.43	0.26	0.42
4	A_u	85	85	0.00	0.00	0.00	0.00
5	B_1u	1269	1269	425.99	0.00	0.00	0.00
6	B_1u	718	718	238.22	0.00	0.00	0.00
7	B_2g	640	640	0.00	0.34	0.75	0.86
8	B_2u	1781	1781	586.95	0.00	0.00	0.00
9	B_2u	187	187	0.03	0.00	0.00	0.00
10	B_3g	1752	1752	0.00	20.01	0.75	0.86
11	B_3g	449	449	0.00	8.10	0.75	0.86
12	B_3u	397	397	10.30	0.00	0.00	0.00

Atom	y (Å)	z (Å)
N1	0.000	0.929
N2	0.000	-0.929
O3	1.110	1.394
O4	-1.110	1.394
O5	1.110	-1.394
O6	-1.110	-1.394

	N1	N2	O3	O4	O5	O6
N1		1.8575	1.2037	1.2037	2.5743	2.5743
N2	1.8575		2.5743	2.5743	1.2037	1.2037
O3	1.2037	2.5743		2.2205	2.7876	3.5639
O4	1.2037	2.5743	2.2205		3.5639	2.7876
O5	2.5743	1.2037	2.7876	3.5639		2.2205
O6	2.5743	1.2037	3.5639	2.7876	2.2205

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	O5	112.727	N1	N2	O6	112.727
N2	N1	O3	112.727	N2	N1	O4	112.727
O3	N1	O4	134.546	O5	N2	O6	134.546

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

using model chemistry: PBEPBEultrafine/daug-cc-pVDZ

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	1.585
2	N	1.585
3	O	-0.792
4	O	-0.792
5	O	-0.792
6	O	-0.792

<r²>	134.492
(<r²>)^1/2	11.597

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

using model chemistry: PBEPBEultrafine/daug-cc-pVDZ

States and conformations

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