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	hartrees
Energy at 0K	-261.327725
Energy at 298.15K
HF Energy	-260.540676
Nuclear repulsion energy	162.698905

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3314	3156	0.33
2	A₁	1520	1448	12.77
3	A₁	1373	1307	6.56
4	A₁	1080	1029	0.49
5	A₁	1026	977	14.75
6	A₁	898	855	23.82
7	A₂	867	825	0.00
8	A₂	643	612	0.00
9	B₁	860	819	37.69
10	B₁	633	603	0.67
11	B₂	3300	3143	0.00
12	B₂	1636	1558	0.41
13	B₂	1232	1174	5.35
14	B₂	971	924	20.40
15	B₂	921	877	0.63

Atom	y (Å)	z (Å)
O1	0.000	1.133
N2	1.139	0.353
N3	-1.139	0.353
C4	0.714	-0.882
C5	-0.714	-0.882
H6	1.409	-1.712
H7	-1.409	-1.712

	O1	N2	N3	C4	C5	H6	H7
O1		1.3810	1.3810	2.1381	2.1381	3.1749	3.1749
N2	1.3810		2.2790	1.3061	2.2276	2.0824	3.2801
N3	1.3810	2.2790		2.2276	1.3061	3.2801	2.0824
C4	2.1381	1.3061	2.2276		1.4289	1.0822	2.2800
C5	2.1381	2.2276	1.3061	1.4289		2.2800	1.0822
H6	3.1749	2.0824	3.2801	1.0822	2.2800		2.8184
H7	3.1749	3.2801	2.0824	2.2800	1.0822	2.8184

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N2	C4	105.408	O1	N3	C5	105.408
N2	O1	N3	111.203	N2	C4	C5	108.990
N2	C4	H6	121.074	N3	C5	C4	108.990
N3	C5	H7	121.074	C4	C5	H7	129.936
C5	C4	H6	129.936

All results from a given calculation for C₂H₂N₂O (Furazan)

using model chemistry: QCISD/6-31G*

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: QCISD/6-31G*

States and conformations

All results from a given calculation for C₂H₂N₂O (Furazan)