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	hartrees
Energy at 0K	-409.824898
Energy at 298.15K
HF Energy	-409.824898
Nuclear repulsion energy	240.229985

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	1494	1431	0.00	18.05	0.46	0.63
2	A_g	863	827	0.00	15.74	0.11	0.20
3	A_g	325	311	0.00	29.53	0.30	0.47
4	A_u	98	94	0.00	0.00	0.00	0.00
5	B_1u	1370	1312	408.99	0.00	0.00	0.00
6	B_1u	782	749	219.77	0.00	0.00	0.00
7	B_2g	753	721	0.00	0.15	0.75	0.86
8	B_2u	1925	1843	645.37	0.00	0.00	0.00
9	B_2u	252	241	0.15	0.00	0.00	0.00
10	B_3g	1893	1813	0.00	5.03	0.75	0.86
11	B_3g	533	511	0.00	7.91	0.75	0.86
12	B_3u	471	451	18.01	0.00	0.00	0.00

Atom	y (Å)	z (Å)
N1	0.000	0.866
N2	0.000	-0.866
O3	1.092	1.319
O4	-1.092	1.319
O5	1.092	-1.319
O6	-1.092	-1.319

	N1	N2	O3	O4	O5	O6
N1		1.7321	1.1822	1.1822	2.4428	2.4428
N2	1.7321		2.4428	2.4428	1.1822	1.1822
O3	1.1822	2.4428		2.1838	2.6384	3.4249
O4	1.1822	2.4428	2.1838		3.4249	2.6384
O5	2.4428	1.1822	2.6384	3.4249		2.1838
O6	2.4428	1.1822	3.4249	2.6384	2.1838

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	O5	112.539	N1	N2	O6	112.539
N2	N1	O3	112.539	N2	N1	O4	112.539
O3	N1	O4	134.921	O5	N2	O6	134.921

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

using model chemistry: HSEh1PBE/6-31G(2df,p)

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	0.605
2	N	0.605
3	O	-0.302
4	O	-0.302
5	O	-0.302
6	O	-0.302

<r²>	124.527
(<r²>)^1/2	11.159

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

using model chemistry: HSEh1PBE/6-31G(2df,p)

States and conformations

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