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	hartrees
Energy at 0K	-261.313259
Energy at 298.15K
HF Energy	-260.542676
Nuclear repulsion energy	163.519038

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3350	3144	0.88
2	A₁	1527	1434	14.29
3	A₁	1391	1306	3.89
4	A₁	1094	1027	1.08
5	A₁	1060	995	23.08
6	A₁	936	879	23.75
7	A₂	866	813	0.00
8	A₂	651	611	0.00
9	B₁	866	813	39.28
10	B₁	647	607	0.53
11	B₂	3336	3131	0.04
12	B₂	1651	1549	0.63
13	B₂	1249	1173	5.17
14	B₂	1016	954	4.61
15	B₂	986	925	15.68

Atom	y (Å)	z (Å)
O1	0.000	1.125
N2	1.130	0.356
N3	-1.130	0.356
C4	0.712	-0.881
C5	-0.712	-0.881
H6	1.409	-1.705
H7	-1.409	-1.705

	O1	N2	N3	C4	C5	H6	H7
O1		1.3669	1.3669	2.1285	2.1285	3.1616	3.1616
N2	1.3669		2.2602	1.3058	2.2188	2.0800	3.2705
N3	1.3669	2.2602		2.2188	1.3058	3.2705	2.0800
C4	2.1285	1.3058	2.2188		1.4237	1.0796	2.2755
C5	2.1285	2.2188	1.3058	1.4237		2.2755	1.0796
H6	3.1616	2.0800	3.2705	1.0796	2.2755		2.8183
H7	3.1616	3.2705	2.0800	2.2755	1.0796	2.8183

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N2	C4	105.552	O1	N3	C5	105.552
N2	O1	N3	111.532	N2	C4	C5	108.682
N2	C4	H6	121.087	N3	C5	C4	108.682
N3	C5	H7	121.087	C4	C5	H7	130.231
C5	C4	H6	130.231

All results from a given calculation for C₂H₂N₂O (Furazan)

using model chemistry: MP3/6-31G*

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: MP3/6-31G*

States and conformations

All results from a given calculation for C₂H₂N₂O (Furazan)