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	hartrees
Energy at 0K	-409.933761
Energy at 298.15K
HF Energy	-409.933761
Nuclear repulsion energy	232.927756

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	1419	1404	0.00	14.30	0.27	0.43
2	A_g	827	818	0.00	9.67	0.13	0.22
3	A_g	268	265	0.00	28.16	0.30	0.46
4	A_u	93	92	0.00	0.00	0.00	0.00
5	B_1u	1274	1260	454.59	0.00	0.00	0.00
6	B_1u	741	733	243.57	0.00	0.00	0.00
7	B_2g	626	619	0.00	0.22	0.75	0.86
8	B_2u	1792	1773	539.88	0.00	0.00	0.00
9	B_2u	194	192	0.19	0.00	0.00	0.00
10	B_3g	1765	1747	0.00	10.76	0.75	0.86
11	B_3g	460	455	0.00	10.13	0.75	0.86
12	B_3u	395	391	9.15	0.00	0.00	0.00

Atom	y (Å)	z (Å)
N1	0.000	0.930
N2	0.000	-0.930
O3	1.107	1.390
O4	-1.107	1.390
O5	1.107	-1.390
O6	-1.107	-1.390

	N1	N2	O3	O4	O5	O6
N1		1.8591	1.1992	1.1992	2.5701	2.5701
N2	1.8591		2.5701	2.5701	1.1992	1.1992
O3	1.1992	2.5701		2.2148	2.7794	3.5539
O4	1.1992	2.5701	2.2148		3.5539	2.7794
O5	2.5701	1.1992	2.7794	3.5539		2.2148
O6	2.5701	1.1992	3.5539	2.7794	2.2148

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	O5	112.564	N1	N2	O6	112.564
N2	N1	O3	112.564	N2	N1	O4	112.564
O3	N1	O4	134.872	O5	N2	O6	134.872

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

using model chemistry: PBEPBEultrafine/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	0.300
2	N	0.300
3	O	-0.150
4	O	-0.150
5	O	-0.150
6	O	-0.150

<r²>	133.583
(<r²>)^1/2	11.558

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

using model chemistry: PBEPBEultrafine/6-311G*

States and conformations

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