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	hartrees
Energy at 0K	-261.662383
Energy at 298.15K
HF Energy	-260.656831
Nuclear repulsion energy	164.625926

Atom	y (Å)	z (Å)
O1	0.000	1.118
N2	1.120	0.353
N3	-1.120	0.353
C4	0.711	-0.875
C5	-0.711	-0.875
H6	1.406	-1.693
H7	-1.406	-1.693

	O1	N2	N3	C4	C5	H6	H7
O1		1.3562	1.3562	2.1162	2.1162	3.1435	3.1435
N2	1.3562		2.2401	1.2950	2.2048	2.0665	3.2514
N3	1.3562	2.2401		2.2048	1.2950	3.2514	2.0665
C4	2.1162	1.2950	2.2048		1.4213	1.0739	2.2696
C5	2.1162	2.2048	1.2950	1.4213		2.2696	1.0739
H6	3.1435	2.0665	3.2514	1.0739	2.2696		2.8129
H7	3.1435	3.2514	2.0665	2.2696	1.0739	2.8129

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N2	C4	105.893	O1	N3	C5	105.893
N2	O1	N3	111.353	N2	C4	C5	108.431
N2	C4	H6	121.182	N3	C5	C4	108.431
N3	C5	H7	121.182	C4	C5	H7	130.387
C5	C4	H6	130.387

All results from a given calculation for C₂H₂N₂O (Furazan)

using model chemistry: CCSD/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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All results from a given calculation for C2H2N2O (Furazan)

using model chemistry: CCSD/cc-pVQZ

States and conformations

All results from a given calculation for C₂H₂N₂O (Furazan)