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	hartrees
Energy at 0K	-261.343416
Energy at 298.15K
HF Energy	-260.544696
Nuclear repulsion energy	162.794688

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3357	3161	0.23
2	A₁	1525	1436	12.86
3	A₁	1377	1296	5.41
4	A₁	1082	1019	0.30
5	A₁	1026	966	15.10
6	A₁	899	847	22.73
7	A₂	883	832	0.00
8	A₂	642	605	0.00
9	B₁	871	820	33.80
10	B₁	633	596	0.75
11	B₂	3344	3148	0.03
12	B₂	1641	1544	0.28
13	B₂	1240	1168	4.21
14	B₂	970	913	19.82
15	B₂	923	869	0.46

Atom	y (Å)	z (Å)
O1	0.000	1.132
N2	1.139	0.353
N3	-1.139	0.353
C4	0.714	-0.882
C5	-0.714	-0.882
H6	1.404	-1.708
H7	-1.404	-1.708

	O1	N2	N3	C4	C5	H6	H7
O1		1.3804	1.3804	2.1373	2.1373	3.1685	3.1685
N2	1.3804		2.2786	1.3060	2.2273	2.0779	3.2735
N3	1.3804	2.2786		2.2273	1.3060	3.2735	2.0779
C4	2.1373	1.3060	2.2273		1.4286	1.0761	2.2736
C5	2.1373	2.2273	1.3060	1.4286		2.2736	1.0761
H6	3.1685	2.0779	3.2735	1.0761	2.2736		2.8079
H7	3.1685	3.2735	2.0779	2.2736	1.0761	2.8079

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N2	C4	105.387	O1	N3	C5	105.387
N2	O1	N3	111.244	N2	C4	C5	108.991
N2	C4	H6	121.151	N3	C5	C4	108.991
N3	C5	H7	121.151	C4	C5	H7	129.857
C5	C4	H6	129.857

All results from a given calculation for C₂H₂N₂O (Furazan)

using model chemistry: QCISD/6-31G**

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: QCISD/6-31G**

States and conformations

All results from a given calculation for C₂H₂N₂O (Furazan)