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	hartrees
Energy at 0K	-410.172840
Energy at 298.15K
HF Energy	-410.172840
Nuclear repulsion energy	238.886505

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	1473	1411	0.00	24.34	0.62	0.77
2	A_g	859	822	0.00	25.64	0.13	0.22
3	A_g	306	293	0.00	39.78	0.28	0.44
4	A_u	88	84	0.00	0.00	0.00	0.00
5	B_1u	1336	1279	457.60	0.00	0.00	0.00
6	B_1u	771	738	258.66	0.00	0.00	0.00
7	B_2g	727	696	0.00	0.20	0.75	0.86
8	B_2u	1874	1794	726.69	0.00	0.00	0.00
9	B_2u	232	222	0.03	0.00	0.00	0.00
10	B_3g	1833	1755	0.00	11.81	0.75	0.86
11	B_3g	506	484	0.00	7.99	0.75	0.86
12	B_3u	459	440	15.96	0.00	0.00	0.00

Atom	y (Å)	z (Å)
N1	0.000	0.885
N2	0.000	-0.885
O3	1.090	1.338
O4	-1.090	1.338
O5	1.090	-1.338
O6	-1.090	-1.338

	N1	N2	O3	O4	O5	O6
N1		1.7705	1.1807	1.1807	2.4765	2.4765
N2	1.7705		2.4765	2.4765	1.1807	1.1807
O3	1.1807	2.4765		2.1808	2.6765	3.4525
O4	1.1807	2.4765	2.1808		3.4525	2.6765
O5	2.4765	1.1807	2.6765	3.4525		2.1808
O6	2.4765	1.1807	3.4525	2.6765	2.1808

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	O5	112.561	N1	N2	O6	112.561
N2	N1	O3	112.561	N2	N1	O4	112.561
O3	N1	O4	134.878	O5	N2	O6	134.878

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

using model chemistry: B3PW91/6-311+G(3df,2p)

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	0.733
2	N	0.733
3	O	-0.367
4	O	-0.367
5	O	-0.367
6	O	-0.367

<r²>	127.004
(<r²>)^1/2	11.270

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

using model chemistry: B3PW91/6-311+G(3df,2p)

States and conformations

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