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	hartrees
Energy at 0K	-409.948471
Energy at 298.15K
HF Energy	-409.484888
Nuclear repulsion energy	236.697792

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	1415	1415	0.00	14.65	0.38	0.55
2	A_g	829	829	0.00	16.63	0.10	0.18
3	A_g	290	290	0.00	36.54	0.29	0.45
4	A_u	100	100	0.00	0.00	0.00	0.00
5	B_1u	1285	1285	389.23	0.00	0.00	0.00
6	B_1u	751	751	223.49	0.00	0.00	0.00
7	B_2g	698	698	0.00	0.18	0.75	0.86
8	B_2u	1837	1837	477.63	0.00	0.00	0.00
9	B_2u	222	222	0.12	0.00	0.00	0.00
10	B_3g	1810	1810	0.00	8.80	0.75	0.86
11	B_3g	499	499	0.00	10.64	0.75	0.86
12	B_3u	436	436	13.76	0.00	0.00	0.00

Atom	y (Å)	z (Å)
N1	0.000	0.887
N2	0.000	-0.887
O3	1.104	1.345
O4	-1.104	1.345
O5	1.104	-1.345
O6	-1.104	-1.345

	N1	N2	O3	O4	O5	O6
N1		1.7750	1.1952	1.1952	2.4904	2.4904
N2	1.7750		2.4904	2.4904	1.1952	1.1952
O3	1.1952	2.4904		2.2087	2.6893	3.4800
O4	1.1952	2.4904	2.2087		3.4800	2.6893
O5	2.4904	1.1952	2.6893	3.4800		2.2087
O6	2.4904	1.1952	3.4800	2.6893	2.2087

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	O5	112.488	N1	N2	O6	112.488
N2	N1	O3	112.488	N2	N1	O4	112.488
O3	N1	O4	135.024	O5	N2	O6	135.024

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

using model chemistry: B2PLYP=FULLultrafine/6-31G(2df,p)

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	0.558
2	N	0.558
3	O	-0.279
4	O	-0.279
5	O	-0.279
6	O	-0.279

<r²>	128.160
(<r²>)^1/2	11.321

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

using model chemistry: B2PLYP=FULLultrafine/6-31G(2df,p)

States and conformations

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