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	hartrees
Energy at 0K	-261.655545
Energy at 298.15K
HF Energy	-260.628536
Nuclear repulsion energy	162.668199

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3277	3093
2	A₁	1416	1337
3	A₁	1305	1232
4	A₁	1059	1000
5	A₁	1008	952
6	A₁	877	828
7	A₂	884	834
8	A₂	640	604
9	B₁	842	795
10	B₁	644	608
11	B₂	3262	3078
12	B₂	1515	1430
13	B₂	1180	1114
14	B₂	946	893
15	B₂	853	805

Atom	y (Å)	z (Å)
O1	0.000	1.132
N2	1.139	0.358
N3	-1.139	0.358
C4	0.709	-0.887
C5	-0.709	-0.887
H6	1.408	-1.708
H7	-1.408	-1.708

	O1	N2	N3	C4	C5	H6	H7
O1		1.3768	1.3768	2.1395	2.1395	3.1699	3.1699
N2	1.3768		2.2777	1.3174	2.2279	2.0839	3.2798
N3	1.3768	2.2777		2.2279	1.3174	3.2798	2.0839
C4	2.1395	1.3174	2.2279		1.4171	1.0788	2.2704
C5	2.1395	2.2279	1.3174	1.4171		2.2704	1.0788
H6	3.1699	2.0839	3.2798	1.0788	2.2704		2.8162
H7	3.1699	3.2798	2.0839	2.2704	1.0788	2.8162

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N2	C4	105.123	O1	N3	C5	105.123
N2	O1	N3	111.625	N2	C4	C5	109.065
N2	C4	H6	120.509	N3	C5	C4	109.065
N3	C5	H7	120.509	C4	C5	H7	130.426
C5	C4	H6	130.426

All results from a given calculation for C₂H₂N₂O (Furazan)

using model chemistry: MP4/6-311+G(3df,2p)

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: MP4/6-311+G(3df,2p)

States and conformations

All results from a given calculation for C₂H₂N₂O (Furazan)