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	hartrees
Energy at 0K	-261.345786
Energy at 298.15K
HF Energy	-260.564675
Nuclear repulsion energy	163.502616

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3346	3172	1.12
2	A₁	1512	1433	15.08
3	A₁	1375	1304	3.00
4	A₁	1076	1020	15.58
5	A₁	1062	1006	8.82
6	A₁	936	887	24.02
7	A₂	903	856	0.00
8	A₂	656	622	0.00
9	B₁	872	827	34.72
10	B₁	655	621	0.65
11	B₂	3331	3157	0.12
12	B₂	1631	1546	0.13
13	B₂	1221	1158	3.87
14	B₂	1011	958	2.81
15	B₂	982	931	18.34

Atom	y (Å)	z (Å)
O1	0.000	1.120
N2	1.126	0.362
N3	-1.126	0.362
C4	0.716	-0.884
C5	-0.716	-0.884
H6	1.424	-1.709
H7	-1.424	-1.709

	O1	N2	N3	C4	C5	H6	H7
O1		1.3576	1.3576	2.1281	2.1281	3.1676	3.1676
N2	1.3576		2.2517	1.3110	2.2236	2.0923	3.2847
N3	1.3576	2.2517		2.2236	1.3110	3.2847	2.0923
C4	2.1281	1.3110	2.2236		1.4325	1.0873	2.2937
C5	2.1281	2.2236	1.3110	1.4325		2.2937	1.0873
H6	3.1676	2.0923	3.2847	1.0873	2.2937		2.8475
H7	3.1676	3.2847	2.0923	2.2937	1.0873	2.8475

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N2	C4	105.767	O1	N3	C5	105.767
N2	O1	N3	112.053	N2	C4	C5	108.207
N2	C4	H6	121.198	N3	C5	C4	108.207
N3	C5	H7	121.198	C4	C5	H7	130.595
C5	C4	H6	130.595

All results from a given calculation for C₂H₂N₂O (Furazan)

using model chemistry: MP3/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: MP3/cc-pVDZ

States and conformations

All results from a given calculation for C₂H₂N₂O (Furazan)