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	hartrees
Energy at 0K	-410.179058
Energy at 298.15K
HF Energy	-410.179058
Nuclear repulsion energy	232.387346

Atom	y (Å)	z (Å)
N1	0.000	0.952
N2	0.000	-0.952
O3	1.099	1.411
O4	-1.099	1.411
O5	1.099	-1.411
O6	-1.099	-1.411

	N1	N2	O3	O4	O5	O6
N1		1.9042	1.1910	1.1910	2.6059	2.6059
N2	1.9042		2.6059	2.6059	1.1910	1.1910
O3	1.1910	2.6059		2.1984	2.8213	3.5767
O4	1.1910	2.6059	2.1984		3.5767	2.8213
O5	2.6059	1.1910	2.8213	3.5767		2.1984
O6	2.6059	1.1910	3.5767	2.8213	2.1984

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	O5	112.645	N1	N2	O6	112.645
N2	N1	O3	112.645	N2	N1	O4	112.645
O3	N1	O4	134.710	O5	N2	O6	134.710

Number	Element	Mulliken
1	N	0.581
2	N	0.581
3	O	-0.290
4	O	-0.290
5	O	-0.290
6	O	-0.290

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

using model chemistry: B97D3/aug-cc-pVQZ

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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<r²>	135.585
(<r²>)^1/2	11.644

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

using model chemistry: B97D3/aug-cc-pVQZ

States and conformations

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