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	hartrees
Energy at 0K	-410.269061
Energy at 298.15K
HF Energy	-410.269061
Nuclear repulsion energy	234.760156

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	1439	1439	0.00	22.63	0.58	0.73
2	A_g	832	832	0.00	24.50	0.11	0.20
3	A_g	279	279	0.00	40.64	0.28	0.43
4	A_u	87	87	0.00	0.00	0.00	0.00
5	B_1u	1294	1294	463.87	0.00	0.00	0.00
6	B_1u	735	735	257.05	0.00	0.00	0.00
7	B_2g	675	675	0.00	0.34	0.75	0.86
8	B_2u	1815	1815	660.97	0.00	0.00	0.00
9	B_2u	199	199	0.03	0.00	0.00	0.00
10	B_3g	1783	1783	0.00	15.52	0.75	0.86
11	B_3g	474	474	0.00	8.26	0.75	0.86
12	B_3u	420	420	12.62	0.00	0.00	0.00

Atom	y (Å)	z (Å)
N1	0.000	0.910
N2	0.000	-0.910
O3	1.104	1.371
O4	-1.104	1.371
O5	1.104	-1.371
O6	-1.104	-1.371

	N1	N2	O3	O4	O5	O6
N1		1.8200	1.1961	1.1961	2.5340	2.5340
N2	1.8200		2.5340	2.5340	1.1961	1.1961
O3	1.1961	2.5340		2.2074	2.7420	3.5201
O4	1.1961	2.5340	2.2074		3.5201	2.7420
O5	2.5340	1.1961	2.7420	3.5201		2.2074
O6	2.5340	1.1961	3.5201	2.7420	2.2074

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	O5	112.669	N1	N2	O6	112.669
N2	N1	O3	112.669	N2	N1	O4	112.669
O3	N1	O4	134.662	O5	N2	O6	134.662

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

using model chemistry: TPSSh/daug-cc-pVDZ

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	1.501
2	N	1.501
3	O	-0.750
4	O	-0.750
5	O	-0.750
6	O	-0.750

<r²>	131.427
(<r²>)^1/2	11.464

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

using model chemistry: TPSSh/daug-cc-pVDZ

States and conformations

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