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	hartrees
Energy at 0K	-410.246646
Energy at 298.15K
HF Energy	-410.246646
Nuclear repulsion energy	240.084281

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	1488	1488	0.00	21.71	0.55	0.71
2	A_g	870	870	0.00	19.72	0.12	0.21
3	A_g	319	319	0.00	36.74	0.31	0.47
4	A_u	90	90	0.00	0.00	0.00	0.00
5	B_1u	1355	1355	467.04	0.00	0.00	0.00
6	B_1u	785	785	260.63	0.00	0.00	0.00
7	B_2g	743	743	0.00	0.58	0.75	0.86
8	B_2u	1894	1894	757.01	0.00	0.00	0.00
9	B_2u	247	247	0.07	0.00	0.00	0.00
10	B_3g	1860	1860	0.00	8.83	0.75	0.86
11	B_3g	528	528	0.00	9.20	0.75	0.86
12	B_3u	471	471	17.86	0.00	0.00	0.00

Atom	y (Å)	z (Å)
N1	0.000	0.875
N2	0.000	-0.875
O3	1.087	1.328
O4	-1.087	1.328
O5	1.087	-1.328
O6	-1.087	-1.328

	N1	N2	O3	O4	O5	O6
N1		1.7493	1.1780	1.1780	2.4565	2.4565
N2	1.7493		2.4565	2.4565	1.1780	1.1780
O3	1.1780	2.4565		2.1744	2.6564	3.4328
O4	1.1780	2.4565	2.1744		3.4328	2.6564
O5	2.4565	1.1780	2.6564	3.4328		2.1744
O6	2.4565	1.1780	3.4328	2.6564	2.1744

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	O5	112.644	N1	N2	O6	112.644
N2	N1	O3	112.644	N2	N1	O4	112.644
O3	N1	O4	134.712	O5	N2	O6	134.712

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

using model chemistry: mPW1PW91/Def2TZVPP

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	0.410
2	N	0.410
3	O	-0.205
4	O	-0.205
5	O	-0.205
6	O	-0.205

<r²>	125.595
(<r²>)^1/2	11.207

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

using model chemistry: mPW1PW91/Def2TZVPP

States and conformations

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