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	hartrees
Energy at 0K	-261.347578
Energy at 298.15K
HF Energy	-260.564348
Nuclear repulsion energy	163.384053

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3324	3180	0.78
2	A₁	1502	1437	16.17
3	A₁	1371	1312	3.03
4	A₁	1072	1026	12.27
5	A₁	1057	1011	11.21
6	A₁	931	891	22.84
7	A₂	903	864	0.00
8	A₂	655	626	0.00
9	B₁	870	832	33.80
10	B₁	655	627	0.71
11	B₂	3309	3166	0.08
12	B₂	1623	1553	0.10
13	B₂	1218	1165	4.10
14	B₂	1008	965	2.46
15	B₂	977	934	17.65

Atom	y (Å)	z (Å)
O1	0.000	1.121
N2	1.127	0.362
N3	-1.127	0.362
C4	0.716	-0.884
C5	-0.716	-0.884
H6	1.425	-1.711
H7	-1.425	-1.711

	O1	N2	N3	C4	C5	H6	H7
O1		1.3591	1.3591	2.1292	2.1292	3.1704	3.1704
N2	1.3591		2.2542	1.3116	2.2248	2.0939	3.2876
N3	1.3591	2.2542		2.2248	1.3116	3.2876	2.0939
C4	2.1292	1.3116	2.2248		1.4326	1.0890	2.2953
C5	2.1292	2.2248	1.3116	1.4326		2.2953	1.0890
H6	3.1704	2.0939	3.2876	1.0890	2.2953		2.8497
H7	3.1704	3.2876	2.0939	2.2953	1.0890	2.8497

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N2	C4	105.723	O1	N3	C5	105.723
N2	O1	N3	112.051	N2	C4	C5	108.252
N2	C4	H6	121.160	N3	C5	C4	108.252
N3	C5	H7	121.160	C4	C5	H7	130.588
C5	C4	H6	130.588

All results from a given calculation for C₂H₂N₂O (Furazan)

using model chemistry: CCD/cc-pVDZ

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: CCD/cc-pVDZ

States and conformations

All results from a given calculation for C₂H₂N₂O (Furazan)