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	hartrees
Energy at 0K	-410.176956
Energy at 298.15K
HF Energy	-410.176956
Nuclear repulsion energy	238.576524

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1472	1416	0.00
2	A_g	862	829	0.00
3	A_g	309	297	0.00
4	A_u	90	87	0.00
5	B_1u	1334	1283	466.17
6	B_1u	775	745	258.85
7	B_2g	724	696	0.00
8	B_2u	1870	1799	702.35
9	B_2u	237	228	0.10
10	B_3g	1838	1768	0.00
11	B_3g	515	495	0.00
12	B_3u	456	438	16.91

Atom	y (Å)	z (Å)
N1	0.000	0.886
N2	0.000	-0.886
O3	1.091	1.341
O4	-1.091	1.341
O5	1.091	-1.341
O6	-1.091	-1.341

	N1	N2	O3	O4	O5	O6
N1		1.7722	1.1822	1.1822	2.4799	2.4799
N2	1.7722		2.4799	2.4799	1.1822	1.1822
O3	1.1822	2.4799		2.1826	2.6817	3.4576
O4	1.1822	2.4799	2.1826		3.4576	2.6817
O5	2.4799	1.1822	2.6817	3.4576		2.1826
O6	2.4799	1.1822	3.4576	2.6817	2.1826

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	O5	112.622	N1	N2	O6	112.622
N2	N1	O3	112.622	N2	N1	O4	112.622
O3	N1	O4	134.756	O5	N2	O6	134.756

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

using model chemistry: B3PW91/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	0.338
2	N	0.338
3	O	-0.169
4	O	-0.169
5	O	-0.169
6	O	-0.169

<r²>	127.119
(<r²>)^1/2	11.275

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

using model chemistry: B3PW91/cc-pVTZ

States and conformations

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