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	hartrees
Energy at 0K	-410.106171
Energy at 298.15K
HF Energy	-410.106171
Nuclear repulsion energy	239.556684

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	1507	1444	0.00	15.89	0.51	0.67
2	A_g	869	833	0.00	13.39	0.12	0.21
3	A_g	325	312	0.00	30.86	0.32	0.48
4	A_u	100	96	0.00	0.00	0.00	0.00
5	B_1u	1376	1318	466.63	0.00	0.00	0.00
6	B_1u	787	754	237.30	0.00	0.00	0.00
7	B_2g	732	701	0.00	0.41	0.75	0.86
8	B_2u	1933	1852	650.80	0.00	0.00	0.00
9	B_2u	248	237	0.30	0.00	0.00	0.00
10	B_3g	1901	1821	0.00	5.16	0.75	0.86
11	B_3g	531	509	0.00	9.37	0.75	0.86
12	B_3u	463	444	18.54	0.00	0.00	0.00

Atom	y (Å)	z (Å)
N1	0.000	0.872
N2	0.000	-0.872
O3	1.093	1.325
O4	-1.093	1.325
O5	1.093	-1.325
O6	-1.093	-1.325

	N1	N2	O3	O4	O5	O6
N1		1.7441	1.1836	1.1836	2.4543	2.4543
N2	1.7441		2.4543	2.4543	1.1836	1.1836
O3	1.1836	2.4543		2.1867	2.6506	3.4362
O4	1.1836	2.4543	2.1867		3.4362	2.6506
O5	2.4543	1.1836	2.6506	3.4362		2.1867
O6	2.4543	1.1836	3.4362	2.6506	2.1867

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	O5	112.517	N1	N2	O6	112.517
N2	N1	O3	112.517	N2	N1	O4	112.517
O3	N1	O4	134.966	O5	N2	O6	134.966

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

using model chemistry: mPW1PW91/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	0.320
2	N	0.320
3	O	-0.160
4	O	-0.160
5	O	-0.160
6	O	-0.160

<r²>	125.465
(<r²>)^1/2	11.201

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

using model chemistry: mPW1PW91/cc-pVDZ

States and conformations

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