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	hartrees
Energy at 0K	-410.386150
Energy at 298.15K
HF Energy	-410.386150
Nuclear repulsion energy	235.687525

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	1437	1437	0.00	22.79	0.59	0.74
2	A_g	842	842	0.00	24.45	0.11	0.20
3	A_g	279	279	0.00	40.47	0.28	0.43
4	A_u	88	88	0.00	0.00	0.00	0.00
5	B_1u	1288	1288	475.23	0.00	0.00	0.00
6	B_1u	748	748	274.12	0.00	0.00	0.00
7	B_2g	680	680	0.00	0.30	0.75	0.86
8	B_2u	1805	1805	682.70	0.00	0.00	0.00
9	B_2u	202	202	0.03	0.00	0.00	0.00
10	B_3g	1774	1774	0.00	15.15	0.75	0.86
11	B_3g	482	482	0.00	8.30	0.75	0.86
12	B_3u	425	425	13.45	0.00	0.00	0.00

Atom	y (Å)	z (Å)
N1	0.000	0.912
N2	0.000	-0.912
O3	1.097	1.369
O4	-1.097	1.369
O5	1.097	-1.369
O6	-1.097	-1.369

	N1	N2	O3	O4	O5	O6
N1		1.8240	1.1886	1.1886	2.5311	2.5311
N2	1.8240		2.5311	2.5311	1.1886	1.1886
O3	1.1886	2.5311		2.1945	2.7378	3.5087
O4	1.1886	2.5311	2.1945		3.5087	2.7378
O5	2.5311	1.1886	2.7378	3.5087		2.1945
O6	2.5311	1.1886	3.5087	2.7378	2.1945

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	O5	112.607	N1	N2	O6	112.607
N2	N1	O3	112.607	N2	N1	O4	112.607
O3	N1	O4	134.785	O5	N2	O6	134.785

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

using model chemistry: TPSSh/aug-cc-pVQZ

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	0.576
2	N	0.576
3	O	-0.288
4	O	-0.288
5	O	-0.288
6	O	-0.288

<r²>	130.777
(<r²>)^1/2	11.436

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

using model chemistry: TPSSh/aug-cc-pVQZ

States and conformations

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