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	hartrees
Energy at 0K	-261.345301
Energy at 298.15K
HF Energy	-260.553032
Nuclear repulsion energy	163.327093

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3365	3171	0.59
2	A₁	1515	1427	17.82
3	A₁	1383	1303	2.47
4	A₁	1088	1025	0.72
5	A₁	1051	991	25.20
6	A₁	925	871	24.37
7	A₂	866	816	0.00
8	A₂	638	601	0.00
9	B₁	866	816	43.43
10	B₁	635	599	0.80
11	B₂	3352	3158	0.12
12	B₂	1639	1544	0.05
13	B₂	1247	1175	4.47
14	B₂	1008	950	3.52
15	B₂	974	918	12.51

Atom	y (Å)	z (Å)
O1	0.000	1.127
N2	1.132	0.356
N3	-1.132	0.356
C4	0.713	-0.882
C5	-0.713	-0.882
H6	1.407	-1.704
H7	-1.407	-1.704

	O1	N2	N3	C4	C5	H6	H7
O1		1.3696	1.3696	2.1319	2.1319	3.1611	3.1611
N2	1.3696		2.2639	1.3072	2.2216	2.0778	3.2695
N3	1.3696	2.2639		2.2216	1.3072	3.2695	2.0778
C4	2.1319	1.3072	2.2216		1.4253	1.0757	2.2736
C5	2.1319	2.2216	1.3072	1.4253		2.2736	1.0757
H6	3.1611	2.0778	3.2695	1.0757	2.2736		2.8148
H7	3.1611	3.2695	2.0778	2.2736	1.0757	2.8148

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N2	C4	105.552	O1	N3	C5	105.552
N2	O1	N3	111.478	N2	C4	C5	108.709
N2	C4	H6	121.062	N3	C5	C4	108.709
N3	C5	H7	121.062	C4	C5	H7	130.229
C5	C4	H6	130.229

All results from a given calculation for C₂H₂N₂O (Furazan)

using model chemistry: CCD/6-31+G**

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: CCD/6-31+G**

States and conformations

All results from a given calculation for C₂H₂N₂O (Furazan)