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	hartrees
Energy at 0K	-261.987024
Energy at 298.15K
HF Energy	-261.637657
Nuclear repulsion energy	163.681907

Atom	y (Å)	z (Å)
O1	0.000	1.127
N2	1.131	0.354
N3	-1.131	0.354
C4	0.707	-0.880
C5	-0.707	-0.880
H6	1.399	-1.701
H7	-1.399	-1.701

	O1	N2	N3	C4	C5	H6	H7
O1		1.3699	1.3699	2.1275	2.1275	3.1545	3.1545
N2	1.3699		2.2621	1.3047	2.2134	2.0717	3.2592
N3	1.3699	2.2621		2.2134	1.3047	3.2592	2.0717
C4	2.1275	1.3047	2.2134		1.4132	1.0738	2.2601
C5	2.1275	2.2134	1.3047	1.4132		2.2601	1.0738
H6	3.1545	2.0717	3.2592	1.0738	2.2601		2.7986
H7	3.1545	3.2592	2.0717	2.2601	1.0738	2.7986

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N2	C4	105.363	O1	N3	C5	105.363
N2	O1	N3	111.303	N2	C4	C5	108.986
N2	C4	H6	120.840	N3	C5	C4	108.986
N3	C5	H7	120.840	C4	C5	H7	130.175
C5	C4	H6	130.175

All results from a given calculation for C₂H₂N₂O (Furazan)

using model chemistry: B2PLYP=FULL/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: B2PLYP=FULL/daug-cc-pVTZ

States and conformations

All results from a given calculation for C₂H₂N₂O (Furazan)