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	hartrees
Energy at 0K	-409.817238
Energy at 298.15K
HF Energy	-409.817238
Nuclear repulsion energy	232.294863

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1423	1400	0.00
2	A_g	811	797	0.00
3	A_g	265	261	0.00
4	A_u	94	92	0.00
5	B_1u	1285	1264	415.29
6	B_1u	724	713	217.72
7	B_2g	623	612	0.00
8	B_2u	1807	1777	476.88
9	B_2u	190	187	0.21
10	B_3g	1784	1754	0.00
11	B_3g	460	452	0.00
12	B_3u	389	383	10.21

Atom	y (Å)	z (Å)
N1	0.000	0.923
N2	0.000	-0.923
O3	1.114	1.387
O4	-1.114	1.387
O5	1.114	-1.387
O6	-1.114	-1.387

	N1	N2	O3	O4	O5	O6
N1		1.8462	1.2071	1.2071	2.5649	2.5649
N2	1.8462		2.5649	2.5649	1.2071	1.2071
O3	1.2071	2.5649		2.2289	2.7740	3.5585
O4	1.2071	2.5649	2.2289		3.5585	2.7740
O5	2.5649	1.2071	2.7740	3.5585		2.2289
O6	2.5649	1.2071	3.5585	2.7740	2.2289

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	O5	112.599	N1	N2	O6	112.599
N2	N1	O3	112.599	N2	N1	O4	112.599
O3	N1	O4	134.802	O5	N2	O6	134.802

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

using model chemistry: PBEPBEultrafine/6-31G*

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	0.527
2	N	0.527
3	O	-0.264
4	O	-0.264
5	O	-0.264
6	O	-0.264

<r²>	133.425
(<r²>)^1/2	11.551

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

using model chemistry: PBEPBEultrafine/6-31G*

States and conformations

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