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	hartrees
Energy at 0K	-259.654794
Energy at 298.15K
HF Energy	-259.050174
Nuclear repulsion energy	155.556031

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3261	3163
2	A₁	1315	1275
3	A₁	1178	1143
4	A₁	1032	1001
5	A₁	899	871
6	A₁	793	769
7	A₂	854	828
8	A₂	624	605
9	B₁	832	807
10	B₁	570	553
11	B₂	3243	3145
12	B₂	1410	1368
13	B₂	1160	1125
14	B₂	934	906
15	B₂	700	679

Atom	y (Å)	z (Å)
O1	0.000	1.213
N2	1.220	0.338
N3	-1.220	0.338
C4	0.719	-0.909
C5	-0.719	-0.909
H6	1.379	-1.766
H7	-1.379	-1.766

	O1	N2	N3	C4	C5	H6	H7
O1		1.5011	1.5011	2.2397	2.2397	3.2825	3.2825
N2	1.5011		2.4406	1.3443	2.3055	2.1105	3.3447
N3	1.5011	2.4406		2.3055	1.3443	3.3447	2.1105
C4	2.2397	1.3443	2.3055		1.4374	1.0823	2.2664
C5	2.2397	2.3055	1.3443	1.4374		2.2664	1.0823
H6	3.2825	2.1105	3.3447	1.0823	2.2664		2.7585
H7	3.2825	3.3447	2.1105	2.2664	1.0823	2.7585

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N2	C4	103.704	O1	N3	C5	103.704
N2	O1	N3	108.773	N2	C4	C5	111.910
N2	C4	H6	120.477	N3	C5	C4	111.910
N3	C5	H7	120.477	C4	C5	H7	127.613
C5	C4	H6	127.613

All results from a given calculation for C₂H₂N₂O (Furazan)

using model chemistry: MP4/3-21G

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: MP4/3-21G

States and conformations

All results from a given calculation for C₂H₂N₂O (Furazan)