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	hartrees
Energy at 0K	-409.894936
Energy at 298.15K
HF Energy	-409.894936
Nuclear repulsion energy	232.261403

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	1411	1403	0.00	20.08	0.55	0.71
2	A_g	809	805	0.00	22.14	0.10	0.18
3	A_g	259	258	0.00	36.90	0.27	0.43
4	A_u	83	83	0.00	0.00	0.00	0.00
5	B_1u	1271	1263	429.82	0.00	0.00	0.00
6	B_1u	716	712	240.88	0.00	0.00	0.00
7	B_2g	631	627	0.00	0.36	0.75	0.86
8	B_2u	1784	1773	582.98	0.00	0.00	0.00
9	B_2u	185	184	0.03	0.00	0.00	0.00
10	B_3g	1750	1739	0.00	22.15	0.75	0.86
11	B_3g	438	436	0.00	8.22	0.75	0.86
12	B_3u	392	389	10.60	0.00	0.00	0.00

Atom	y (Å)	z (Å)
N1	0.000	0.930
N2	0.000	-0.930
O3	1.111	1.394
O4	-1.111	1.394
O5	1.111	-1.394
O6	-1.111	-1.394

	N1	N2	O3	O4	O5	O6
N1		1.8596	1.2035	1.2035	2.5753	2.5753
N2	1.8596		2.5753	2.5753	1.2035	1.2035
O3	1.2035	2.5753		2.2210	2.7876	3.5642
O4	1.2035	2.5753	2.2210		3.5642	2.7876
O5	2.5753	1.2035	2.7876	3.5642		2.2210
O6	2.5753	1.2035	3.5642	2.7876	2.2210

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	O5	112.675	N1	N2	O6	112.675
N2	N1	O3	112.675	N2	N1	O4	112.675
O3	N1	O4	134.650	O5	N2	O6	134.650

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

using model chemistry: PBEPBEultrafine/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	0.859
2	N	0.859
3	O	-0.430
4	O	-0.430
5	O	-0.430
6	O	-0.430

<r²>	134.549
(<r²>)^1/2	11.600

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

using model chemistry: PBEPBEultrafine/aug-cc-pVDZ

States and conformations

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