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	hartrees
Energy at 0K	-83.333040
Energy at 298.15K
HF Energy	-83.333040
Nuclear repulsion energy	123.550848

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	1277	1237	0.00	18.48	0.49	0.66
2	A_g	749	725	0.00	14.85	0.12	0.22
3	A_g	296	287	0.00	43.34	0.34	0.51
4	A_u	79	77	0.00	0.00	0.00	0.00
5	B_1u	1200	1162	357.77	0.00	0.00	0.00
6	B_1u	688	667	170.92	0.00	0.00	0.00
7	B_2g	596	577	0.00	1.31	0.75	0.86
8	B_2u	1611	1561	389.78	0.00	0.00	0.00
9	B_2u	220	213	0.19	0.00	0.00	0.00
10	B_3g	1591	1541	0.00	12.69	0.75	0.86
11	B_3g	454	440	0.00	12.59	0.75	0.86
12	B_3u	398	386	5.52	0.00	0.00	0.00

Atom	y (Å)	z (Å)
N1	0.000	0.897
N2	0.000	-0.897
O3	1.152	1.392
O4	-1.152	1.392
O5	1.152	-1.392
O6	-1.152	-1.392

	N1	N2	O3	O4	O5	O6
N1		1.7947	1.2539	1.2539	2.5630	2.5630
N2	1.7947		2.5630	2.5630	1.2539	1.2539
O3	1.2539	2.5630		2.3044	2.7841	3.6141
O4	1.2539	2.5630	2.3044		3.6141	2.7841
O5	2.5630	1.2539	2.7841	3.6141		2.3044
O6	2.5630	1.2539	3.6141	2.7841	2.3044

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	O5	113.237	N1	N2	O6	113.237
N2	N1	O3	113.237	N2	N1	O4	113.237
O3	N1	O4	133.525	O5	N2	O6	133.525

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

using model chemistry: B3LYP/CEP-31G

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	-0.035
2	N	-0.035
3	O	0.017
4	O	0.017
5	O	0.017
6	O	0.017

<r²>	107.815
(<r²>)^1/2	10.383

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

using model chemistry: B3LYP/CEP-31G

States and conformations

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