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	hartrees
Energy at 0K	-261.417761
Energy at 298.15K
HF Energy	-260.580832
Nuclear repulsion energy	162.611921

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3312	3312	0.43
2	A₁	1498	1498	17.44
3	A₁	1355	1355	4.20
4	A₁	1060	1060	2.28
5	A₁	1028	1028	17.17
6	A₁	896	896	24.58
7	A₂	869	869	0.00
8	A₂	641	641	0.00
9	B₁	859	859	38.40
10	B₁	635	635	1.28
11	B₂	3296	3296	0.09
12	B₂	1610	1610	0.04
13	B₂	1203	1203	3.21
14	B₂	963	963	20.15
15	B₂	915	915	0.11

Atom	y (Å)	z (Å)
O1	0.000	1.131
N2	1.136	0.357
N3	-1.136	0.357
C4	0.718	-0.885
C5	-0.718	-0.885
H6	1.422	-1.714
H7	-1.422	-1.714

	O1	N2	N3	C4	C5	H6	H7
O1		1.3748	1.3748	2.1404	2.1404	3.1803	3.1803
N2	1.3748		2.2720	1.3104	2.2318	2.0902	3.2909
N3	1.3748	2.2720		2.2318	1.3104	3.2909	2.0902
C4	2.1404	1.3104	2.2318		1.4365	1.0870	2.2949
C5	2.1404	2.2318	1.3104	1.4365		2.2949	1.0870
H6	3.1803	2.0902	3.2909	1.0870	2.2949		2.8437
H7	3.1803	3.2909	2.0902	2.2949	1.0870	2.8437

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N2	C4	105.685	O1	N3	C5	105.685
N2	O1	N3	111.448	N2	C4	C5	108.591
N2	C4	H6	121.073	N3	C5	C4	108.591
N3	C5	H7	121.073	C4	C5	H7	130.336
C5	C4	H6	130.336

All results from a given calculation for C₂H₂N₂O (Furazan)

using model chemistry: CCSD=FULL/aug-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: CCSD=FULL/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₂H₂N₂O (Furazan)