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	hartrees
Energy at 0K	-261.418318
Energy at 298.15K
HF Energy	-260.599681
Nuclear repulsion energy	163.693518

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3296	3143	0.12
2	A₁	1499	1429	14.96
3	A₁	1368	1305	5.25
4	A₁	1069	1019	7.59
5	A₁	1052	1003	13.66
6	A₁	922	880	26.45
7	A₂	869	828	0.00
8	A₂	648	618	0.00
9	B₁	858	818	42.34
10	B₁	646	616	0.61
11	B₂	3282	3130	0.02
12	B₂	1621	1545	0.24
13	B₂	1218	1162	4.78
14	B₂	977	932	20.78
15	B₂	960	915	0.06

Atom	y (Å)	z (Å)
O1	0.000	1.122
N2	1.127	0.357
N3	-1.127	0.357
C4	0.715	-0.880
C5	-0.715	-0.880
H6	1.417	-1.703
H7	-1.417	-1.703

	O1	N2	N3	C4	C5	H6	H7
O1		1.3622	1.3622	2.1263	2.1263	3.1603	3.1603
N2	1.3622		2.2538	1.3036	2.2190	2.0796	3.2732
N3	1.3622	2.2538		2.2190	1.3036	3.2732	2.0796
C4	2.1263	1.3036	2.2190		1.4307	1.0812	2.2858
C5	2.1263	2.2190	1.3036	1.4307		2.2858	1.0812
H6	3.1603	2.0796	3.2732	1.0812	2.2858		2.8347
H7	3.1603	3.2732	2.0796	2.2858	1.0812	2.8347

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N2	C4	105.781	O1	N3	C5	105.781
N2	O1	N3	111.635	N2	C4	C5	108.402
N2	C4	H6	121.110	N3	C5	C4	108.402
N3	C5	H7	121.110	C4	C5	H7	130.488
C5	C4	H6	130.488

All results from a given calculation for C₂H₂N₂O (Furazan)

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

States and conformations

All results from a given calculation for C₂H₂N₂O (Furazan)