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	hartrees
Energy at 0K	-261.678741
Energy at 298.15K
HF Energy	-260.634167
Nuclear repulsion energy	162.250151

Atom	y (Å)	z (Å)
O1	0.000	1.136
N2	1.144	0.357
N3	-1.144	0.357
C4	0.709	-0.889
C5	-0.709	-0.889
H6	1.406	-1.711
H7	-1.406	-1.711

	O1	N2	N3	C4	C5	H6	H7
O1		1.3837	1.3837	2.1450	2.1450	3.1753	3.1753
N2	1.3837		2.2873	1.3194	2.2322	2.0846	3.2830
N3	1.3837	2.2873		2.2322	1.3194	3.2830	2.0846
C4	2.1450	1.3194	2.2322		1.4173	1.0783	2.2690
C5	2.1450	2.2322	1.3194	1.4173		2.2690	1.0783
H6	3.1753	2.0846	3.2830	1.0783	2.2690		2.8121
H7	3.1753	3.2830	2.0846	2.2690	1.0783	2.8121

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N2	C4	105.007	O1	N3	C5	105.007
N2	O1	N3	111.484	N2	C4	C5	109.251
N2	C4	H6	120.453	N3	C5	C4	109.251
N3	C5	H7	120.453	C4	C5	H7	130.296
C5	C4	H6	130.296

All results from a given calculation for C₂H₂N₂O (Furazan)

using model chemistry: MP4/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 C2H2N2O (Furazan)

using model chemistry: MP4/daug-cc-pVTZ

States and conformations

All results from a given calculation for C₂H₂N₂O (Furazan)