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	hartrees
Energy at 0K	-261.685241
Energy at 298.15K
HF Energy	-260.652476
Nuclear repulsion energy	163.789668

Atom	y (Å)	z (Å)
O1	0.000	1.121
N2	1.127	0.363
N3	-1.127	0.363
C4	0.699	-0.888
C5	-0.699	-0.888
H6	1.403	-1.700
H7	-1.403	-1.700

	O1	N2	N3	C4	C5	H6	H7
O1		1.3581	1.3581	2.1270	2.1270	3.1503	3.1503
N2	1.3581		2.2540	1.3219	2.2136	2.0811	3.2643
N3	1.3581	2.2540		2.2136	1.3219	3.2643	2.0811
C4	2.1270	1.3219	2.2136		1.3986	1.0744	2.2536
C5	2.1270	2.2136	1.3219	1.3986		2.2536	1.0744
H6	3.1503	2.0811	3.2643	1.0744	2.2536		2.8059
H7	3.1503	3.2643	2.0811	2.2536	1.0744	2.8059

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N2	C4	105.044	O1	N3	C5	105.044
N2	O1	N3	112.158	N2	C4	C5	108.877
N2	C4	H6	120.209	N3	C5	C4	108.877
N3	C5	H7	120.209	C4	C5	H7	130.914
C5	C4	H6	130.914

All results from a given calculation for C₂H₂N₂O (Furazan)

using model chemistry: MP2/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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All results from a given calculation for C2H2N2O (Furazan)

using model chemistry: MP2/aug-cc-pVQZ

States and conformations

All results from a given calculation for C₂H₂N₂O (Furazan)