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	hartrees
Energy at 0K	-81.587910
Energy at 298.15K
HF Energy	-81.587910
Nuclear repulsion energy	130.049326

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	1359	1225	0.00	76.56	0.62	0.77
2	A_g	845	762	0.00	33.96	0.31	0.47
3	A_g	444	400	0.00	45.23	0.41	0.59
4	A_u	50	45	0.00	0.00	0.00	0.00
5	B_1u	1384	1248	255.43	0.00	0.75	0.86
6	B_1u	793	715	158.22	0.00	0.75	0.86
7	B_2g	752	678	0.00	5.76	0.75	0.86
8	B_2u	1661	1498	1042.18	0.00	0.69	0.82
9	B_2u	343	310	0.09	0.00	0.62	0.77
10	B_3g	1665	1501	0.00	3.68	0.75	0.86
11	B_3g	570	514	0.00	6.18	0.75	0.86
12	B_3u	520	469	20.19	0.00	0.00	0.00

Atom	y (Å)	z (Å)
N1	0.000	0.792
N2	0.000	-0.792
O3	1.114	1.297
O4	-1.114	1.297
O5	1.114	-1.297
O6	-1.114	-1.297

	N1	N2	O3	O4	O5	O6
N1		1.5834	1.2229	1.2229	2.3669	2.3669
N2	1.5834		2.3669	2.3669	1.2229	1.2229
O3	1.2229	2.3669		2.2276	2.5934	3.4188
O4	1.2229	2.3669	2.2276		3.4188	2.5934
O5	2.3669	1.2229	2.5934	3.4188		2.2276
O6	2.3669	1.2229	3.4188	2.5934	2.2276

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	O5	114.389	N1	N2	O6	114.389
N2	N1	O3	114.389	N2	N1	O4	114.389
O3	N1	O4	131.222	O5	N2	O6	131.222

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

using model chemistry: HF/CEP-31G

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	-0.049
4	O	-0.049
5	O	-0.049
6	O	-0.049

<r²>	98.830
(<r²>)^1/2	9.941

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

using model chemistry: HF/CEP-31G

States and conformations

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