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	hartrees
Energy at 0K	-410.008828
Energy at 298.15K
HF Energy	-409.559305
Nuclear repulsion energy	235.979120

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	1415	1415	0.00	13.27	0.37	0.54
2	A_g	837	837	0.00	14.48	0.12	0.21
3	A_g	286	286	0.00	40.25	0.30	0.46
4	A_u	98	98	0.00	0.00	0.00	0.00
5	B_1u	1280	1280	450.30	0.00	0.00	0.00
6	B_1u	760	760	252.55	0.00	0.00	0.00
7	B_2g	664	664	0.00	0.55	0.75	0.86
8	B_2u	1828	1828	504.92	0.00	0.00	0.00
9	B_2u	223	223	0.18	0.00	0.00	0.00
10	B_3g	1800	1800	0.00	10.64	0.75	0.86
11	B_3g	494	494	0.00	12.94	0.75	0.86
12	B_3u	426	426	12.32	0.00	0.00	0.00

Atom	y (Å)	z (Å)
N1	0.000	0.897
N2	0.000	-0.897
O3	1.103	1.356
O4	-1.103	1.356
O5	1.103	-1.356
O6	-1.103	-1.356

	N1	N2	O3	O4	O5	O6
N1		1.7943	1.1947	1.1947	2.5086	2.5086
N2	1.7943		2.5086	2.5086	1.1947	1.1947
O3	1.1947	2.5086		2.2062	2.7117	3.4958
O4	1.1947	2.5086	2.2062		3.4958	2.7117
O5	2.5086	1.1947	2.7117	3.4958		2.2062
O6	2.5086	1.1947	3.4958	2.7117	2.2062

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	O5	112.579	N1	N2	O6	112.579
N2	N1	O3	112.579	N2	N1	O4	112.579
O3	N1	O4	134.843	O5	N2	O6	134.843

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

using model chemistry: B2PLYP=FULLultrafine/6-311G**

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	0.336
2	N	0.336
3	O	-0.168
4	O	-0.168
5	O	-0.168
6	O	-0.168

<r²>	129.676
(<r²>)^1/2	11.388

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

using model chemistry: B2PLYP=FULLultrafine/6-311G**

States and conformations

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