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	hartrees
Energy at 0K	-261.391625
Energy at 298.15K
HF Energy	-260.560023
Nuclear repulsion energy	162.021237

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3296	3226
2	A₁	1461	1430
3	A₁	1331	1303
4	A₁	1051	1029
5	A₁	1015	993
6	A₁	883	864
7	A₂	868	850
8	A₂	635	621
9	B₁	842	824
10	B₁	634	620
11	B₂	3281	3211
12	B₂	1567	1534
13	B₂	1183	1158
14	B₂	952	932
15	B₂	859	841

Atom	y (Å)	z (Å)
O1	0.000	1.133
N2	1.141	0.361
N3	-1.141	0.361
C4	0.718	-0.889
C5	-0.718	-0.889
H6	1.424	-1.721
H7	-1.424	-1.721

	O1	N2	N3	C4	C5	H6	H7
O1		1.3777	1.3777	2.1455	2.1455	3.1893	3.1893
N2	1.3777		2.2830	1.3202	2.2407	2.1015	3.3041
N3	1.3777	2.2830		2.2407	1.3202	3.3041	2.1015
C4	2.1455	1.3202	2.2407		1.4358	1.0911	2.2977
C5	2.1455	2.2407	1.3202	1.4358		2.2977	1.0911
H6	3.1893	2.1015	3.3041	1.0911	2.2977		2.8477
H7	3.1893	3.3041	2.1015	2.2977	1.0911	2.8477

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N2	C4	105.338	O1	N3	C5	105.338
N2	O1	N3	111.896	N2	C4	C5	108.714
N2	C4	H6	120.968	N3	C5	C4	108.714
N3	C5	H7	120.968	C4	C5	H7	130.317
C5	C4	H6	130.317

All results from a given calculation for C₂H₂N₂O (Furazan)

using model chemistry: CCSD(T)/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(T)/cc-pVDZ

States and conformations

All results from a given calculation for C₂H₂N₂O (Furazan)