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	hartrees
Energy at 0K	-410.246545
Energy at 298.15K
HF Energy	-410.246545
Nuclear repulsion energy	236.110011

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	1450	1407	0.00	25.00	0.63	0.77
2	A_g	837	813	0.00	27.53	0.13	0.22
3	A_g	291	283	0.00	43.51	0.29	0.44
4	A_u	85	82	0.00	0.00	0.00	0.00
5	B_1u	1313	1274	467.67	0.00	0.00	0.00
6	B_1u	747	725	259.88	0.00	0.00	0.00
7	B_2g	692	672	0.00	0.40	0.75	0.86
8	B_2u	1830	1776	701.78	0.00	0.00	0.00
9	B_2u	219	213	0.02	0.00	0.00	0.00
10	B_3g	1792	1739	0.00	15.20	0.75	0.86
11	B_3g	479	465	0.00	8.48	0.75	0.86
12	B_3u	437	424	16.13	0.00	0.00	0.00

Atom	y (Å)	z (Å)
N1	0.000	0.899
N2	0.000	-0.899
O3	1.100	1.359
O4	-1.100	1.359
O5	1.100	-1.359
O6	-1.100	-1.359

	N1	N2	O3	O4	O5	O6
N1		1.7971	1.1926	1.1926	2.5111	2.5111
N2	1.7971		2.5111	2.5111	1.1926	1.1926
O3	1.1926	2.5111		2.2003	2.7175	3.4966
O4	1.1926	2.5111	2.2003		3.4966	2.7175
O5	2.5111	1.1926	2.7175	3.4966		2.2003
O6	2.5111	1.1926	3.4966	2.7175	2.2003

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	O5	112.701	N1	N2	O6	112.701
N2	N1	O3	112.701	N2	N1	O4	112.701
O3	N1	O4	134.598	O5	N2	O6	134.598

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

using model chemistry: B3LYP/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	0.839
2	N	0.839
3	O	-0.420
4	O	-0.420
5	O	-0.420
6	O	-0.420

<r²>	130.068
(<r²>)^1/2	11.405

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

using model chemistry: B3LYP/aug-cc-pVDZ

States and conformations

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