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	hartrees
Energy at 0K	-409.248579
Energy at 298.15K
HF Energy	-408.105342
Nuclear repulsion energy	240.219679

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1465	1413	0.00
2	A_g	849	818	0.00
3	A_g	342	330	0.00
4	A_u	80	77	0.00
5	B_1u	1372	1323	397.31
6	B_1u	785	757	206.69
7	B_2g	767	740	0.00
8	B_2u	1934	1865	750.62
9	B_2u	273	264	0.00
10	B_3g	1878	1812	0.00
11	B_3g	525	507	0.00
12	B_3u	492	474	19.60

Atom	y (Å)	z (Å)
N1	0.000	0.850
N2	0.000	-0.850
O3	1.097	1.311
O4	-1.097	1.311
O5	1.097	-1.311
O6	-1.097	-1.311

	N1	N2	O3	O4	O5	O6
N1		1.6992	1.1906	1.1906	2.4236	2.4236
N2	1.6992		2.4236	2.4236	1.1906	1.1906
O3	1.1906	2.4236		2.1950	2.6225	3.4199
O4	1.1906	2.4236	2.1950		3.4199	2.6225
O5	2.4236	1.1906	2.6225	3.4199		2.1950
O6	2.4236	1.1906	3.4199	2.6225	2.1950

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	O5	112.813	N1	N2	O6	112.813
N2	N1	O3	112.813	N2	N1	O4	112.813
O3	N1	O4	134.375	O5	N2	O6	134.375

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

using model chemistry: CCD/aug-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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All results from a given calculation for N2O4 (Dinitrogen tetroxide)

using model chemistry: CCD/aug-cc-pVDZ

States and conformations

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