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	hartrees
Energy at 0K	-410.050725
Energy at 298.15K
HF Energy	-410.050725
Nuclear repulsion energy	238.753647

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	1478	1421	0.00	17.11	0.43	0.60
2	A_g	855	822	0.00	14.97	0.11	0.19
3	A_g	311	299	0.00	29.77	0.30	0.46
4	A_u	95	92	0.00	0.00	0.00	0.00
5	B_1u	1348	1296	414.66	0.00	0.00	0.00
6	B_1u	771	742	223.65	0.00	0.00	0.00
7	B_2g	731	703	0.00	0.13	0.75	0.86
8	B_2u	1894	1821	618.36	0.00	0.00	0.00
9	B_2u	238	229	0.14	0.00	0.00	0.00
10	B_3g	1864	1792	0.00	5.63	0.75	0.86
11	B_3g	518	498	0.00	8.16	0.75	0.86
12	B_3u	457	440	16.65	0.00	0.00	0.00

Atom	y (Å)	z (Å)
N1	0.000	0.878
N2	0.000	-0.878
O3	1.095	1.333
O4	-1.095	1.333
O5	1.095	-1.333
O6	-1.095	-1.333

	N1	N2	O3	O4	O5	O6
N1		1.7558	1.1857	1.1857	2.4671	2.4671
N2	1.7558		2.4671	2.4671	1.1857	1.1857
O3	1.1857	2.4671		2.1899	2.6659	3.4500
O4	1.1857	2.4671	2.1899		3.4500	2.6659
O5	2.4671	1.1857	2.6659	3.4500		2.1899
O6	2.4671	1.1857	3.4500	2.6659	2.1899

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	O5	112.568	N1	N2	O6	112.568
N2	N1	O3	112.568	N2	N1	O4	112.568
O3	N1	O4	134.865	O5	N2	O6	134.865

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

using model chemistry: B3PW91/6-31G(2df,p)

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	0.599
2	N	0.599
3	O	-0.300
4	O	-0.300
5	O	-0.300
6	O	-0.300

<r²>	126.156
(<r²>)^1/2	11.232

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

using model chemistry: B3PW91/6-31G(2df,p)

States and conformations

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