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	hartrees
Energy at 0K	-261.287244
Energy at 298.15K
HF Energy	-260.603505
Nuclear repulsion energy	165.670083

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3399	3145	0.15
2	A₁	1566	1449	12.75
3	A₁	1428	1321	5.33
4	A₁	1125	1041	35.76
5	A₁	1098	1016	1.12
6	A₁	978	905	27.65
7	A₂	942	872	0.00
8	A₂	685	633	0.00
9	B₁	911	843	41.40
10	B₁	682	631	0.92
11	B₂	3384	3132	0.01
12	B₂	1704	1577	0.09
13	B₂	1275	1179	4.20
14	B₂	1071	991	1.47
15	B₂	1017	941	22.98

Atom	y (Å)	z (Å)
O1	0.000	1.107
N2	1.109	0.355
N3	-1.109	0.355
C4	0.711	-0.871
C5	-0.711	-0.871
H6	1.411	-1.686
H7	-1.411	-1.686

	O1	N2	N3	C4	C5	H6	H7
O1		1.3397	1.3397	2.1021	2.1021	3.1282	3.1282
N2	1.3397		2.2187	1.2898	2.1956	2.0631	3.2428
N3	1.3397	2.2187		2.1956	1.2898	3.2428	2.0631
C4	2.1021	1.2898	2.1956		1.4229	1.0731	2.2729
C5	2.1021	2.1956	1.2898	1.4229		2.2729	1.0731
H6	3.1282	2.0631	3.2428	1.0731	2.2729		2.8212
H7	3.1282	3.2428	2.0631	2.2729	1.0731	2.8212

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N2	C4	106.133	O1	N3	C5	106.133
N2	O1	N3	111.796	N2	C4	C5	107.968
N2	C4	H6	121.375	N3	C5	C4	107.968
N3	C5	H7	121.375	C4	C5	H7	130.657
C5	C4	H6	130.657

All results from a given calculation for C₂H₂N₂O (Furazan)

using model chemistry: CISD/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: CISD/6-311G*

States and conformations

All results from a given calculation for C₂H₂N₂O (Furazan)