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	hartrees
Energy at 0K	-261.392259
Energy at 298.15K
HF Energy	-260.548569
Nuclear repulsion energy	161.959148

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3334	3199
2	A₁	1472	1413
3	A₁	1343	1288
4	A₁	1073	1029
5	A₁	1005	965
6	A₁	877	842
7	A₂	826	793
8	A₂	614	589
9	B₁	837	804
10	B₁	613	588
11	B₂	3320	3186
12	B₂	1581	1517
13	B₂	1214	1165
14	B₂	954	915
15	B₂	860	826

Atom	y (Å)	z (Å)
O1	0.000	1.138
N2	1.146	0.355
N3	-1.146	0.355
C4	0.714	-0.888
C5	-0.714	-0.888
H6	1.406	-1.714
H7	-1.406	-1.714

	O1	N2	N3	C4	C5	H6	H7
O1		1.3884	1.3884	2.1484	2.1484	3.1805	3.1805
N2	1.3884		2.2928	1.3161	2.2376	2.0859	3.2863
N3	1.3884	2.2928		2.2376	1.3161	3.2863	2.0859
C4	2.1484	1.3161	2.2376		1.4282	1.0781	2.2758
C5	2.1484	2.2376	1.3161	1.4282		2.2758	1.0781
H6	3.1805	2.0859	3.2863	1.0781	2.2758		2.8126
H7	3.1805	3.2863	2.0859	2.2758	1.0781	2.8126

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N2	C4	105.161	O1	N3	C5	105.161
N2	O1	N3	111.327	N2	C4	C5	109.176
N2	C4	H6	120.878	N3	C5	C4	109.176
N3	C5	H7	120.878	C4	C5	H7	129.946
C5	C4	H6	129.946

All results from a given calculation for C₂H₂N₂O (Furazan)

using model chemistry: CCSD(T)/6-31+G**

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(T)/6-31+G**

States and conformations

All results from a given calculation for C₂H₂N₂O (Furazan)