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	hartrees
Energy at 0K	-407.411470
Energy at 298.15K
HF Energy	-407.088063
Nuclear repulsion energy	227.360249

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	1155	1155	0.00	5.94	0.31	0.48
2	A_g	748	748	0.00	15.74	0.12	0.22
3	A_g	293	293	0.00	33.95	0.31	0.48
4	A_u	109	109	0.00	0.00	0.75	0.86
5	B_1u	1015	1015	323.61	0.00	0.51	0.67
6	B_1u	669	669	141.76	0.00	0.49	0.66
7	B_2g	586	586	0.00	0.38	0.75	0.86
8	B_2u	1471	1471	135.76	0.00	0.50	0.67
9	B_2u	168	168	0.45	0.00	0.51	0.67
10	B_3g	1453	1453	0.00	8.28	0.75	0.86
11	B_3g	444	444	0.00	13.52	0.75	0.86
12	B_3u	370	370	7.34	0.00	0.00	0.00

Atom	y (Å)	z (Å)
N1	0.000	0.904
N2	0.000	-0.904
O3	1.165	1.376
O4	-1.165	1.376
O5	1.165	-1.376
O6	-1.165	-1.376

	N1	N2	O3	O4	O5	O6
N1		1.8077	1.2574	1.2574	2.5606	2.5606
N2	1.8077		2.5606	2.5606	1.2574	1.2574
O3	1.2574	2.5606		2.3306	2.7524	3.6066
O4	1.2574	2.5606	2.3306		3.6066	2.7524
O5	2.5606	1.2574	2.7524	3.6066		2.3306
O6	2.5606	1.2574	3.6066	2.7524	2.3306

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	O5	112.064	N1	N2	O6	112.064
N2	N1	O3	112.064	N2	N1	O4	112.064
O3	N1	O4	135.873	O5	N2	O6	135.873

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

using model chemistry: B2PLYP=FULLultrafine/3-21G

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	0.435
2	N	0.435
3	O	-0.217
4	O	-0.217
5	O	-0.217
6	O	-0.217

<r²>	135.945
(<r²>)^1/2	11.660

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

using model chemistry: B2PLYP=FULLultrafine/3-21G

States and conformations

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