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	hartrees
Energy at 0K
Energy at 298.15K	0.118524
HF Energy	0.118524
Nuclear repulsion energy	102.587311

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	3112	3031	82.95	57.20	0.13	0.23
2	A₁	1611	1570	0.09	83.04	0.13	0.24
3	A₁	1369	1333	12.47	26.25	0.74	0.85
4	A₁	1034	1007	0.67	4.53	0.62	0.77
5	A₁	948	924	18.90	10.42	0.60	0.75
6	A₁	758	738	41.25	2.40	0.09	0.17
7	A₂	929	905	0.00	5.60	0.75	0.86
8	A₂	562	547	0.00	0.09	0.75	0.86
9	B₁	832	811	40.10	1.04	0.75	0.86
10	B₁	521	507	4.13	3.58	0.75	0.86
11	B₂	3104	3023	50.59	52.49	0.75	0.86
12	B₂	1735	1690	2.42	2.33	0.75	0.86
13	B₂	1081	1053	0.41	0.81	0.75	0.86
14	B₂	898	875	27.81	10.27	0.75	0.86
15	B₂	608	592	12.75	4.31	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	1.187
N2	1.104	0.354
N3	-1.104	0.354
C4	0.727	-0.912
C5	-0.727	-0.912
H6	1.412	-1.759
H7	-1.412	-1.759

	O1	N2	N3	C4	C5	H6	H7
O1		1.3830	1.3830	2.2214	2.2214	3.2675	3.2675
N2	1.3830		2.2079	1.3211	2.2259	2.1360	3.2858
N3	1.3830	2.2079		2.2259	1.3211	3.2858	2.1360
C4	2.2214	1.3211	2.2259		1.4535	1.0898	2.3003
C5	2.2214	2.2259	1.3211	1.4535		2.3003	1.0898
H6	3.2675	2.1360	3.2858	1.0898	2.3003		2.8233
H7	3.2675	3.2858	2.1360	2.3003	1.0898	2.8233

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N2	C4	110.449	O1	N3	C5	110.449
N2	O1	N3	105.922	N2	C4	C5	106.590
N2	C4	H6	124.473	N3	C5	C4	106.590
N3	C5	H7	124.473	C4	C5	H7	128.937
C5	C4	H6	128.937

All results from a given calculation for C₂H₂N₂O (Furazan)

using model chemistry: PM3

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: PM3

States and conformations

All results from a given calculation for C₂H₂N₂O (Furazan)