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	hartrees
Energy at 0K	-261.427245
Energy at 298.15K
HF Energy	-260.638313
Nuclear repulsion energy	166.567533

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3408	3149	0.97
2	A₁	1571	1451	14.10
3	A₁	1436	1327	4.39
4	A₁	1137	1051	40.92
5	A₁	1104	1020	0.64
6	A₁	988	913	22.13
7	A₂	988	913	0.00
8	A₂	694	641	0.00
9	B₁	933	862	37.19
10	B₁	693	640	1.85
11	B₂	3394	3136	0.31
12	B₂	1713	1583	0.01
13	B₂	1290	1192	2.67
14	B₂	1097	1014	0.86
15	B₂	1019	941	24.08

Atom	y (Å)	z (Å)
O1	0.000	1.102
N2	1.102	0.354
N3	-1.102	0.354
C4	0.708	-0.868
C5	-0.708	-0.868
H6	1.403	-1.678
H7	-1.403	-1.678

	O1	N2	N3	C4	C5	H6	H7
O1		1.3318	1.3318	2.0930	2.0930	3.1140	3.1140
N2	1.3318		2.2034	1.2834	2.1830	2.0539	3.2252
N3	1.3318	2.2034		2.1830	1.2834	3.2252	2.0539
C4	2.0930	1.2834	2.1830		1.4153	1.0678	2.2610
C5	2.0930	2.1830	1.2834	1.4153		2.2610	1.0678
H6	3.1140	2.0539	3.2252	1.0678	2.2610		2.8064
H7	3.1140	3.2252	2.0539	2.2610	1.0678	2.8064

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N2	C4	106.303	O1	N3	C5	106.303
N2	O1	N3	111.633	N2	C4	C5	107.880
N2	C4	H6	121.475	N3	C5	C4	107.880
N3	C5	H7	121.475	C4	C5	H7	130.645
C5	C4	H6	130.645

All results from a given calculation for C₂H₂N₂O (Furazan)

using model chemistry: CID/6-311+G(3df,2p)

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/6-311+G(3df,2p)

States and conformations

All results from a given calculation for C₂H₂N₂O (Furazan)