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	hartrees
Energy at 0K	-262.070680
Energy at 298.15K
HF Energy	-262.070680
Nuclear repulsion energy	165.099824

Atom	y (Å)	z (Å)
O1	0.000	1.113
N2	1.115	0.355
N3	-1.115	0.355
C4	0.707	-0.875
C5	-0.707	-0.875
H6	1.405	-1.693
H7	-1.405	-1.693

	O1	N2	N3	C4	C5	H6	H7
O1		1.3483	1.3483	2.1099	2.1099	3.1385	3.1385
N2	1.3483		2.2304	1.2958	2.1988	2.0692	3.2477
N3	1.3483	2.2304		2.1988	1.2958	3.2477	2.0692
C4	2.1099	1.2958	2.1988		1.4149	1.0755	2.2653
C5	2.1099	2.1988	1.2958	1.4149		2.2653	1.0755
H6	3.1385	2.0692	3.2477	1.0755	2.2653		2.8094
H7	3.1385	3.2477	2.0692	2.2653	1.0755	2.8094

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N2	C4	105.857	O1	N3	C5	105.857
N2	O1	N3	111.606	N2	C4	C5	108.340
N2	C4	H6	121.245	N3	C5	C4	108.340
N3	C5	H7	121.245	C4	C5	H7	130.415
C5	C4	H6	130.415

Number	Element	Mulliken
1	O	-0.301
2	N	-0.207
3	N	-0.207
4	C	0.055
5	C	0.055
6	H	0.303
7	H	0.303

All results from a given calculation for C₂H₂N₂O (Furazan)

using model chemistry: wB97X-D/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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<r²>	71.322
(<r²>)^1/2	8.445

All results from a given calculation for C2H2N2O (Furazan)

using model chemistry: wB97X-D/aug-cc-pVQZ

States and conformations

All results from a given calculation for C₂H₂N₂O (Furazan)