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	hartrees
Energy at 0K	-259.606699
Energy at 298.15K
HF Energy	-259.061042
Nuclear repulsion energy	157.899746

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3322	3322	3.12
2	A₁	1403	1403	13.59
3	A₁	1316	1316	3.63
4	A₁	1033	1033	0.17
5	A₁	949	949	1.70
6	A₁	826	826	12.99
7	A₂	896	896	0.00
8	A₂	643	643	0.00
9	B₁	874	874	46.47
10	B₁	567	567	0.38
11	B₂	3306	3306	0.08
12	B₂	1542	1542	7.62
13	B₂	1239	1239	8.13
14	B₂	983	983	12.35
15	B₂	852	852	1.21

Atom	y (Å)	z (Å)
O1	0.000	1.192
N2	1.194	0.335
N3	-1.194	0.335
C4	0.724	-0.894
C5	-0.724	-0.894
H6	1.382	-1.747
H7	-1.382	-1.747

	O1	N2	N3	C4	C5	H6	H7
O1		1.4697	1.4697	2.2084	2.2084	3.2479	3.2479
N2	1.4697		2.3880	1.3160	2.2782	2.0906	3.3124
N3	1.4697	2.3880		2.2782	1.3160	3.3124	2.0906
C4	2.2084	1.3160	2.2782		1.4481	1.0772	2.2724
C5	2.2084	2.2782	1.3160	1.4481		2.2724	1.0772
H6	3.2479	2.0906	3.3124	1.0772	2.2724		2.7645
H7	3.2479	3.3124	2.0906	2.2724	1.0772	2.7645

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N2	C4	104.749	O1	N3	C5	104.749
N2	O1	N3	108.661	N2	C4	C5	110.921
N2	C4	H6	121.417	N3	C5	C4	110.921
N3	C5	H7	121.417	C4	C5	H7	127.662
C5	C4	H6	127.662

All results from a given calculation for C₂H₂N₂O (Furazan)

using model chemistry: MP3=FULL/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: MP3=FULL/3-21G

States and conformations

All results from a given calculation for C₂H₂N₂O (Furazan)