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	hartrees
Energy at 0K	-410.248108
Energy at 298.15K
HF Energy	-410.248108
Nuclear repulsion energy	236.157421

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	1448	1448	0.00	25.13	0.62	0.76
2	A_g	839	839	0.00	27.27	0.12	0.22
3	A_g	293	293	0.00	43.66	0.28	0.44
4	A_u	86	86	0.00	0.00	0.00	0.00
5	B_1u	1311	1311	462.69	0.00	0.00	0.00
6	B_1u	750	750	256.16	0.00	0.00	0.00
7	B_2g	700	700	0.00	0.34	0.75	0.86
8	B_2u	1826	1826	705.82	0.00	0.00	0.00
9	B_2u	222	222	0.02	0.00	0.00	0.00
10	B_3g	1794	1794	0.00	13.44	0.75	0.86
11	B_3g	490	490	0.00	8.35	0.75	0.86
12	B_3u	442	442	15.70	0.00	0.00	0.00

Atom	y (Å)	z (Å)
N1	0.000	0.897
N2	0.000	-0.897
O3	1.100	1.358
O4	-1.100	1.358
O5	1.100	-1.358
O6	-1.100	-1.358

	N1	N2	O3	O4	O5	O6
N1		1.7945	1.1928	1.1928	2.5096	2.5096
N2	1.7945		2.5096	2.5096	1.1928	1.1928
O3	1.1928	2.5096		2.2000	2.7169	3.4959
O4	1.1928	2.5096	2.2000		3.4959	2.7169
O5	2.5096	1.1928	2.7169	3.4959		2.2000
O6	2.5096	1.1928	3.4959	2.7169	2.2000

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	O5	112.748	N1	N2	O6	112.748
N2	N1	O3	112.748	N2	N1	O4	112.748
O3	N1	O4	134.504	O5	N2	O6	134.504

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

using model chemistry: B3LYPultrafine/daug-cc-pVDZ

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	1.485
2	N	1.485
3	O	-0.742
4	O	-0.742
5	O	-0.742
6	O	-0.742

<r²>	129.979
(<r²>)^1/2	11.401

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

using model chemistry: B3LYPultrafine/daug-cc-pVDZ

States and conformations

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