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	hartrees
Energy at 0K	-407.723388
Energy at 298.15K
HF Energy	-407.723388
Nuclear repulsion energy	232.941855

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	1251	1194	0.00	11.54	0.44	0.61
2	A_g	807	771	0.00	13.30	0.12	0.21
3	A_g	335	320	0.00	26.37	0.34	0.50
4	A_u	110	105	0.00	0.00	0.00	0.00
5	B_1u	1123	1072	356.05	0.00	0.00	0.00
6	B_1u	714	682	155.25	0.00	0.00	0.00
7	B_2g	649	620	0.00	0.37	0.75	0.86
8	B_2u	1568	1497	289.48	0.00	0.00	0.00
9	B_2u	207	197	0.58	0.00	0.00	0.00
10	B_3g	1541	1471	0.00	4.58	0.75	0.86
11	B_3g	482	460	0.00	9.42	0.75	0.86
12	B_3u	417	398	12.24	0.00	0.00	0.00

Atom	y (Å)	z (Å)
N1	0.000	0.878
N2	0.000	-0.878
O3	1.140	1.339
O4	-1.140	1.339
O5	1.140	-1.339
O6	-1.140	-1.339

	N1	N2	O3	O4	O5	O6
N1		1.7555	1.2300	1.2300	2.4929	2.4929
N2	1.7555		2.4929	2.4929	1.2300	1.2300
O3	1.2300	2.4929		2.2803	2.6783	3.5176
O4	1.2300	2.4929	2.2803		3.5176	2.6783
O5	2.4929	1.2300	2.6783	3.5176		2.2803
O6	2.4929	1.2300	3.5176	2.6783	2.2803

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	O5	112.032	N1	N2	O6	112.032
N2	N1	O3	112.032	N2	N1	O4	112.032
O3	N1	O4	135.936	O5	N2	O6	135.936

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

using model chemistry: mPW1PW91/3-21G

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	0.488
2	N	0.488
3	O	-0.244
4	O	-0.244
5	O	-0.244
6	O	-0.244

<r²>	130.343
(<r²>)^1/2	11.417

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

using model chemistry: mPW1PW91/3-21G

States and conformations

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