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	hartrees
Energy at 0K	-404.509692
Energy at 298.15K	-404.512102
Nuclear repulsion energy	221.275388

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1352	1194	0.00
2	A_g	746	659	0.00
3	A_g	253	223	0.00
4	A_u	76	68	0.00
5	B_1u	1298	1146	145.39
6	B_1u	622	549	104.15
7	B_2g	521	460	0.00
8	B_2u	1761	1555	67.91
9	B_2u	86	76	0.17
10	B_3g	1784	1575	0.00
11	B_3g	414	366	0.00
12	B_3u	316	279	1.87

Atom	y (Å)	z (Å)
N1	0.000	0.932
N2	0.000	-0.932
O3	1.177	1.446
O4	-1.177	1.446
O5	1.177	-1.446
O6	-1.177	-1.446

	N1	N2	O3	O4	O5	O6
N1		1.8634	1.2841	1.2841	2.6530	2.6530
N2	1.8634		2.6530	2.6530	1.2841	1.2841
O3	1.2841	2.6530		2.3531	2.8924	3.7286
O4	1.2841	2.6530	2.3531		3.7286	2.8924
O5	2.6530	1.2841	2.8924	3.7286		2.3531
O6	2.6530	1.2841	3.7286	2.8924	2.3531

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	O5	113.619	N1	N2	O6	113.619
N2	N1	O3	113.619	N2	N1	O4	113.619
O3	N1	O4	132.762	O5	N2	O6	132.762

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

using model chemistry: B1B95/STO-3G

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	0.129
2	N	0.129
3	O	-0.065
4	O	-0.065
5	O	-0.065
6	O	-0.065

<r²>	141.478
(<r²>)^1/2	11.894

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

using model chemistry: B1B95/STO-3G

States and conformations

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