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	hartrees
Energy at 0K	-261.282736
Energy at 298.15K
HF Energy	-260.603614
Nuclear repulsion energy	165.803946

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3401	3160	0.18
2	A₁	1566	1455	12.99
3	A₁	1431	1329	5.00
4	A₁	1131	1051	37.67
5	A₁	1099	1022	0.92
6	A₁	982	913	27.35
7	A₂	943	877	0.00
8	A₂	686	637	0.00
9	B₁	912	848	41.44
10	B₁	684	636	0.94
11	B₂	3387	3147	0.02
12	B₂	1706	1585	0.09
13	B₂	1278	1187	4.15
14	B₂	1086	1009	1.55
15	B₂	1019	947	22.81

Atom	y (Å)	z (Å)
O1	0.000	1.105
N2	1.108	0.356
N3	-1.108	0.356
C4	0.711	-0.871
C5	-0.711	-0.871
H6	1.411	-1.685
H7	-1.411	-1.685

	O1	N2	N3	C4	C5	H6	H7
O1		1.3376	1.3376	2.1005	2.1005	3.1263	3.1263
N2	1.3376		2.2158	1.2897	2.1942	2.0629	3.2415
N3	1.3376	2.2158		2.1942	1.2897	3.2415	2.0629
C4	2.1005	1.2897	2.1942		1.4221	1.0729	2.2723
C5	2.1005	2.1942	1.2897	1.4221		2.2723	1.0729
H6	3.1263	2.0629	3.2415	1.0729	2.2723		2.8212
H7	3.1263	3.2415	2.0629	2.2723	1.0729	2.8212

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N2	C4	106.152	O1	N3	C5	106.152
N2	O1	N3	111.849	N2	C4	C5	107.924
N2	C4	H6	121.382	N3	C5	C4	107.924
N3	C5	H7	121.382	C4	C5	H7	130.695
C5	C4	H6	130.695

All results from a given calculation for C₂H₂N₂O (Furazan)

using model chemistry: CID/6-311G*

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: CID/6-311G*

States and conformations

All results from a given calculation for C₂H₂N₂O (Furazan)