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	hartrees
Energy at 0K	-410.107727
Energy at 298.15K
HF Energy	-409.609625
Nuclear repulsion energy	236.440685

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	1408	1345	0.00	15.23	0.45	0.62
2	A_g	835	798	0.00	17.53	0.10	0.19
3	A_g	288	276	0.00	41.26	0.29	0.45
4	A_u	94	90	0.00	0.00	0.00	0.00
5	B_1u	1271	1215	434.82	0.00	0.00	0.00
6	B_1u	754	720	257.15	0.00	0.00	0.00
7	B_2g	692	661	0.00	0.44	0.75	0.86
8	B_2u	1813	1732	541.71	0.00	0.00	0.00
9	B_2u	222	212	0.07	0.00	0.00	0.00
10	B_3g	1784	1705	0.00	12.43	0.75	0.86
11	B_3g	495	473	0.00	12.29	0.75	0.86
12	B_3u	434	415	13.90	0.00	0.00	0.00

Atom	y (Å)	z (Å)
N1	0.000	0.895
N2	0.000	-0.895
O3	1.101	1.353
O4	-1.101	1.353
O5	1.101	-1.353
O6	-1.101	-1.353

	N1	N2	O3	O4	O5	O6
N1		1.7907	1.1920	1.1920	2.5034	2.5034
N2	1.7907		2.5034	2.5034	1.1920	1.1920
O3	1.1920	2.5034		2.2013	2.7061	3.4884
O4	1.1920	2.5034	2.2013		3.4884	2.7061
O5	2.5034	1.1920	2.7061	3.4884		2.2013
O6	2.5034	1.1920	3.4884	2.7061	2.2013

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	O5	112.580	N1	N2	O6	112.580
N2	N1	O3	112.580	N2	N1	O4	112.580
O3	N1	O4	134.839	O5	N2	O6	134.839

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

using model chemistry: B2PLYP=FULLultrafine/cc-pVTZ

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	0.287
2	N	0.287
3	O	-0.144
4	O	-0.144
5	O	-0.144
6	O	-0.144

<r²>	129.257
(<r²>)^1/2	11.369

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

using model chemistry: B2PLYP=FULLultrafine/cc-pVTZ

States and conformations

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