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	hartrees
Energy at 0K	-261.376204
Energy at 298.15K
HF Energy	-260.542093
Nuclear repulsion energy	162.161968

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3341	3169
2	A₁	1482	1406
3	A₁	1348	1279
4	A₁	1078	1023
5	A₁	1010	958
6	A₁	891	845
7	A₂	851	807
8	A₂	629	596
9	B₁	847	804
10	B₁	627	595
11	B₂	3326	3155
12	B₂	1591	1509
13	B₂	1220	1157
14	B₂	959	910
15	B₂	873	828

Atom	y (Å)	z (Å)
O1	0.000	1.136
N2	1.145	0.355
N3	-1.145	0.355
C4	0.713	-0.887
C5	-0.713	-0.887
H6	1.404	-1.713
H7	-1.404	-1.713

	O1	N2	N3	C4	C5	H6	H7
O1		1.3860	1.3860	2.1451	2.1451	3.1769	3.1769
N2	1.3860		2.2901	1.3151	2.2351	2.0851	3.2831
N3	1.3860	2.2901		2.2351	1.3151	3.2831	2.0851
C4	2.1451	1.3151	2.2351		1.4263	1.0774	2.2729
C5	2.1451	2.2351	1.3151	1.4263		2.2729	1.0774
H6	3.1769	2.0851	3.2831	1.0774	2.2729		2.8082
H7	3.1769	3.2831	2.0851	2.2729	1.0774	2.8082

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N2	C4	105.123	O1	N3	C5	105.123
N2	O1	N3	111.412	N2	C4	C5	109.171
N2	C4	H6	120.938	N3	C5	C4	109.171
N3	C5	H7	120.938	C4	C5	H7	129.890
C5	C4	H6	129.890

All results from a given calculation for C₂H₂N₂O (Furazan)

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

States and conformations

All results from a given calculation for C₂H₂N₂O (Furazan)