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	hartrees
Energy at 0K	-261.445172
Energy at 298.15K
HF Energy	-260.625756
Nuclear repulsion energy	164.149095

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3336	3162	0.53
2	A₁	1497	1420	17.40
3	A₁	1380	1309	3.04
4	A₁	1081	1025	2.60
5	A₁	1061	1006	23.74
6	A₁	926	878	27.39
7	A₂	790	749	0.00
8	A₂	602	571	0.00
9	B₁	851	806	39.61
10	B₁	632	599	0.71
11	B₂	3322	3149	0.09
12	B₂	1628	1543	0.10
13	B₂	1245	1180	4.57
14	B₂	1005	952	3.40
15	B₂	973	923	12.84

Atom	y (Å)	z (Å)
O1	0.000	1.121
N2	1.125	0.354
N3	-1.125	0.354
C4	0.711	-0.878
C5	-0.711	-0.878
H6	1.406	-1.698
H7	-1.406	-1.698

	O1	N2	N3	C4	C5	H6	H7
O1		1.3611	1.3611	2.1211	2.1211	3.1500	3.1500
N2	1.3611		2.2498	1.2998	2.2110	2.0716	3.2587
N3	1.3611	2.2498		2.2110	1.2998	3.2587	2.0716
C4	2.1211	1.2998	2.2110		1.4219	1.0753	2.2705
C5	2.1211	2.2110	1.2998	1.4219		2.2705	1.0753
H6	3.1500	2.0716	3.2587	1.0753	2.2705		2.8124
H7	3.1500	3.2587	2.0716	2.2705	1.0753	2.8124

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N2	C4	105.691	O1	N3	C5	105.691
N2	O1	N3	111.474	N2	C4	C5	108.572
N2	C4	H6	121.146	N3	C5	C4	108.572
N3	C5	H7	121.146	C4	C5	H7	130.282
C5	C4	H6	130.282

All results from a given calculation for C₂H₂N₂O (Furazan)

using model chemistry: CCD/TZVP

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/TZVP

States and conformations

All results from a given calculation for C₂H₂N₂O (Furazan)