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	hartrees
Energy at 0K	-410.130700
Energy at 298.15K	-410.134219
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1492	1430	0.00
2	A_g	855	819	0.00
3	A_g	320	306	0.00
4	A_u	89	85	0.00
5	B_1u	1363	1305	455.30
6	B_1u	766	734	250.00
7	B_2g	732	701	0.00
8	B_2u	1909	1829	738.82
9	B_2u	250	240	0.02
10	B_3g	1866	1788	0.00
11	B_3g	507	486	0.00
12	B_3u	461	442	18.12

Atom	y (Å)	z (Å)
N1	0.000	0.874
N2	0.000	-0.874
O3	1.093	1.329
O4	-1.093	1.329
O5	1.093	-1.329
O6	-1.093	-1.329

	N1	N2	O3	O4	O5	O6
N1		1.7483	1.1836	1.1836	2.4592	2.4592
N2	1.7483		2.4592	2.4592	1.1836	1.1836
O3	1.1836	2.4592		2.1856	2.6578	3.4410
O4	1.1836	2.4592	2.1856		3.4410	2.6578
O5	2.4592	1.1836	2.6578	3.4410		2.1856
O6	2.4592	1.1836	3.4410	2.6578	2.1856

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	O5	112.596	N1	N2	O6	112.596
N2	N1	O3	112.596	N2	N1	O4	112.596
O3	N1	O4	134.809	O5	N2	O6	134.809

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

using model chemistry: B1B95/aug-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	0.893
2	N	0.893
3	O	-0.446
4	O	-0.446
5	O	-0.446
6	O	-0.446

<r²>	126.186
(<r²>)^1/2	11.233

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

using model chemistry: B1B95/aug-cc-pVDZ

States and conformations

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