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	hartrees
Energy at 0K	-409.318891
Energy at 298.15K
HF Energy	-408.213780
Nuclear repulsion energy	247.085439

Atom	y (Å)	z (Å)
N1	0.000	0.811
N2	0.000	-0.811
O3	1.073	1.266
O4	-1.073	1.266
O5	1.073	-1.266
O6	-1.073	-1.266

	N1	N2	O3	O4	O5	O6
N1		1.6223	1.1656	1.1656	2.3383	2.3383
N2	1.6223		2.3383	2.3383	1.1656	1.1656
O3	1.1656	2.3383		2.1460	2.5328	3.3197
O4	1.1656	2.3383	2.1460		3.3197	2.5328
O5	2.3383	1.1656	2.5328	3.3197		2.1460
O6	2.3383	1.1656	3.3197	2.5328	2.1460

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	O5	112.989	N1	N2	O6	112.989
N2	N1	O3	112.989	N2	N1	O4	112.989
O3	N1	O4	134.022	O5	N2	O6	134.022

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

using model chemistry: CISD/daug-cc-pVTZ

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: CISD/daug-cc-pVTZ

States and conformations

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