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	hartrees
Energy at 0K	-409.866128
Energy at 298.15K
HF Energy	-409.866128
Nuclear repulsion energy	239.257692

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	26.67	0.63	0.77
2	A_g	858	858	0.00	28.11	0.13	0.24
3	A_g	318	318	0.00	41.07	0.28	0.44
4	A_u	87	87	0.00	0.00	0.00	0.00
5	B_1u	1362	1362	439.68	0.00	0.00	0.00
6	B_1u	773	773	237.32	0.00	0.00	0.00
7	B_2g	739	739	0.00	0.36	0.75	0.86
8	B_2u	1906	1906	737.84	0.00	0.00	0.00
9	B_2u	245	245	0.02	0.00	0.00	0.00
10	B_3g	1869	1869	0.00	10.65	0.75	0.86
11	B_3g	521	521	0.00	7.75	0.75	0.86
12	B_3u	465	465	17.24	0.00	0.00	0.00

Atom	y (Å)	z (Å)
N1	0.000	0.872
N2	0.000	-0.872
O3	1.093	1.329
O4	-1.093	1.329
O5	1.093	-1.329
O6	-1.093	-1.329

	N1	N2	O3	O4	O5	O6
N1		1.7444	1.1850	1.1850	2.4579	2.4579
N2	1.7444		2.4579	2.4579	1.1850	1.1850
O3	1.1850	2.4579		2.1867	2.6582	3.4421
O4	1.1850	2.4579	2.1867		3.4421	2.6582
O5	2.4579	1.1850	2.6582	3.4421		2.1867
O6	2.4579	1.1850	3.4421	2.6582	2.1867

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	O5	112.679	N1	N2	O6	112.679
N2	N1	O3	112.679	N2	N1	O4	112.679
O3	N1	O4	134.643	O5	N2	O6	134.643

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

using model chemistry: HSEh1PBE/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	0.984
2	N	0.984
3	O	-0.492
4	O	-0.492
5	O	-0.492
6	O	-0.492

<r²>	126.237
(<r²>)^1/2	11.236

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

using model chemistry: HSEh1PBE/daug-cc-pVDZ

States and conformations

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