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	hartrees
Energy at 0K	-261.692416
Energy at 298.15K
HF Energy	-260.642333
Nuclear repulsion energy	164.844913

Atom	y (Å)	z (Å)
O1	0.000	1.118
N2	1.119	0.352
N3	-1.119	0.352
C4	0.709	-0.874
C5	-0.709	-0.874
H6	1.400	-1.690
H7	-1.400	-1.690

	O1	N2	N3	C4	C5	H6	H7
O1		1.3564	1.3564	2.1140	2.1140	3.1378	3.1378
N2	1.3564		2.2387	1.2924	2.2010	2.0614	3.2430
N3	1.3564	2.2387		2.2010	1.2924	3.2430	2.0614
C4	2.1140	1.2924	2.2010		1.4178	1.0698	2.2614
C5	2.1140	2.2010	1.2924	1.4178		2.2614	1.0698
H6	3.1378	2.0614	3.2430	1.0698	2.2614		2.7999
H7	3.1378	3.2430	2.0614	2.2614	1.0698	2.7999

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N2	C4	105.871	O1	N3	C5	105.871
N2	O1	N3	111.227	N2	C4	C5	108.516
N2	C4	H6	121.244	N3	C5	C4	108.516
N3	C5	H7	121.244	C4	C5	H7	130.241
C5	C4	H6	130.241

All results from a given calculation for C₂H₂N₂O (Furazan)

using model chemistry: CCSD=FULL/aug-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 C2H2N2O (Furazan)

using model chemistry: CCSD=FULL/aug-cc-pVTZ

States and conformations

All results from a given calculation for C₂H₂N₂O (Furazan)