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	hartrees
Energy at 0K	-410.222007
Energy at 298.15K
HF Energy	-410.222007
Nuclear repulsion energy	235.860619

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	1447	1396	0.00	15.97	0.36	0.53
2	A_g	837	808	0.00	13.59	0.10	0.18
3	A_g	287	277	0.00	29.43	0.30	0.46
4	A_u	96	92	0.00	0.00	0.00	0.00
5	B_1u	1303	1258	431.38	0.00	0.00	0.00
6	B_1u	746	720	234.05	0.00	0.00	0.00
7	B_2g	688	664	0.00	0.09	0.75	0.86
8	B_2u	1836	1771	574.29	0.00	0.00	0.00
9	B_2u	205	198	0.16	0.00	0.00	0.00
10	B_3g	1807	1744	0.00	7.21	0.75	0.86
11	B_3g	488	471	0.00	8.50	0.75	0.86
12	B_3u	425	410	13.22	0.00	0.00	0.00

Atom	y (Å)	z (Å)
N1	0.000	0.902
N2	0.000	-0.902
O3	1.102	1.359
O4	-1.102	1.359
O5	1.102	-1.359
O6	-1.102	-1.359

	N1	N2	O3	O4	O5	O6
N1		1.8045	1.1930	1.1930	2.5153	2.5153
N2	1.8045		2.5153	2.5153	1.1930	1.1930
O3	1.1930	2.5153		2.2046	2.7173	3.4991
O4	1.1930	2.5153	2.2046		3.4991	2.7173
O5	2.5153	1.1930	2.7173	3.4991		2.2046
O6	2.5153	1.1930	3.4991	2.7173	2.2046

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	O5	112.493	N1	N2	O6	112.493
N2	N1	O3	112.493	N2	N1	O4	112.493
O3	N1	O4	135.015	O5	N2	O6	135.015

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

using model chemistry: TPSSh/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	0.628
2	N	0.628
3	O	-0.314
4	O	-0.314
5	O	-0.314
6	O	-0.314

<r²>	129.424
(<r²>)^1/2	11.376

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

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

States and conformations

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