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	hartrees
Energy at 0K	-261.598249
Energy at 298.15K
HF Energy	-260.641545
Nuclear repulsion energy	164.494708

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3317	3174	0.77
2	A₁	1498	1434	17.80
3	A₁	1375	1316	3.14
4	A₁	1076	1029	9.68
5	A₁	1061	1016	17.77
6	A₁	933	893	22.31
7	A₂	918	879	0.00
8	A₂	661	633	0.00
9	B₁	885	847	37.17
10	B₁	658	629	1.57
11	B₂	3302	3160	0.27
12	B₂	1626	1556	0.05
13	B₂	1230	1177	3.38
14	B₂	1010	967	2.73
15	B₂	981	939	17.19

Atom	y (Å)	z (Å)
O1	0.000	1.118
N2	1.120	0.355
N3	-1.120	0.355
C4	0.710	-0.877
C5	-0.710	-0.877
H6	1.408	-1.695
H7	-1.408	-1.695

	O1	N2	N3	C4	C5	H6	H7
O1		1.3553	1.3553	2.1183	2.1183	3.1456	3.1456
N2	1.3553		2.2403	1.2991	2.2069	2.0700	3.2551
N3	1.3553	2.2403		2.2069	1.2991	3.2551	2.0700
C4	2.1183	1.2991	2.2069		1.4208	1.0746	2.2709
C5	2.1183	2.2069	1.2991	1.4208		2.2709	1.0746
H6	3.1456	2.0700	3.2551	1.0746	2.2709		2.8169
H7	3.1456	3.2551	2.0700	2.2709	1.0746	2.8169

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N2	C4	105.872	O1	N3	C5	105.872
N2	O1	N3	111.484	N2	C4	C5	108.385
N2	C4	H6	121.105	N3	C5	C4	108.385
N3	C5	H7	121.105	C4	C5	H7	130.510
C5	C4	H6	130.510

All results from a given calculation for C₂H₂N₂O (Furazan)

using model chemistry: CCD/aug-cc-pVTZ

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/aug-cc-pVTZ

States and conformations

All results from a given calculation for C₂H₂N₂O (Furazan)