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	hartrees
Energy at 0K	-404.513401
Energy at 298.15K
HF Energy	-404.513401
Nuclear repulsion energy	213.818643

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	1294	1294	0.00	11.66	0.11	0.21
2	A_g	703	703	0.00	5.19	0.21	0.35
3	A_g	222	222	0.00	14.13	0.34	0.51
4	A_u	56	56	0.00	0.00	0.00	0.00
5	B_1u	1226	1226	124.51	0.00	0.00	0.00
6	B_1u	597	597	94.23	0.00	0.00	0.00
7	B_2g	422	422	0.00	0.01	0.75	0.86
8	B_2u	1629	1629	41.79	0.00	0.00	0.00
9	B_2u	72	72	0.04	0.00	0.00	0.00
10	B_3g	1646	1646	0.00	10.50	0.75	0.86
11	B_3g	340	340	0.00	6.70	0.75	0.86
12	B_3u	251	251	0.16	0.00	0.00	0.00

Atom	y (Å)	z (Å)
N1	0.000	1.005
N2	0.000	-1.005
O3	1.190	1.540
O4	-1.190	1.540
O5	1.190	-1.540
O6	-1.190	-1.540

	N1	N2	O3	O4	O5	O6
N1		2.0103	1.3044	1.3044	2.8096	2.8096
N2	2.0103		2.8096	2.8096	1.3044	1.3044
O3	1.3044	2.8096		2.3792	3.0805	3.8923
O4	1.3044	2.8096	2.3792		3.8923	3.0805
O5	2.8096	1.3044	3.0805	3.8923		2.3792
O6	2.8096	1.3044	3.8923	3.0805	2.3792

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	O5	114.219	N1	N2	O6	114.219
N2	N1	O3	114.219	N2	N1	O4	114.219
O3	N1	O4	131.562	O5	N2	O6	131.562

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

using model chemistry: B97D3/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	0.097
2	N	0.097
3	O	-0.048
4	O	-0.048
5	O	-0.048
6	O	-0.048

<r²>	153.102
(<r²>)^1/2	12.373

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

using model chemistry: B97D3/STO-3G

States and conformations

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