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	hartrees
Energy at 0K	-410.063113
Energy at 298.15K
HF Energy	-410.063113
Nuclear repulsion energy	239.201913

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	1500	1422	0.00	17.16	0.46	0.63
2	A_g	858	813	0.00	13.98	0.12	0.21
3	A_g	325	308	0.00	31.17	0.31	0.48
4	A_u	96	91	0.00	0.00	0.00	0.00
5	B_1u	1378	1306	436.80	0.00	0.00	0.00
6	B_1u	778	738	224.07	0.00	0.00	0.00
7	B_2g	723	686	0.00	0.40	0.75	0.86
8	B_2u	1929	1829	629.10	0.00	0.00	0.00
9	B_2u	253	240	0.26	0.00	0.00	0.00
10	B_3g	1899	1801	0.00	5.42	0.75	0.86
11	B_3g	531	503	0.00	8.92	0.75	0.86
12	B_3u	461	437	18.82	0.00	0.00	0.00

Atom	y (Å)	z (Å)
N1	0.000	0.867
N2	0.000	-0.867
O3	1.097	1.325
O4	-1.097	1.325
O5	1.097	-1.325
O6	-1.097	-1.325

	N1	N2	O3	O4	O5	O6
N1		1.7343	1.1883	1.1883	2.4509	2.4509
N2	1.7343		2.4509	2.4509	1.1883	1.1883
O3	1.1883	2.4509		2.1934	2.6494	3.4396
O4	1.1883	2.4509	2.1934		3.4396	2.6494
O5	2.4509	1.1883	2.6494	3.4396		2.1934
O6	2.4509	1.1883	3.4396	2.6494	2.1934

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	O5	112.647	N1	N2	O6	112.647
N2	N1	O3	112.647	N2	N1	O4	112.647
O3	N1	O4	134.706	O5	N2	O6	134.706

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

using model chemistry: mPW1PW91/6-31G*

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	0.611
2	N	0.611
3	O	-0.305
4	O	-0.305
5	O	-0.305
6	O	-0.305

<r²>	125.573
(<r²>)^1/2	11.206

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

using model chemistry: mPW1PW91/6-31G*

States and conformations

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