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	hartrees
Energy at 0K	-259.614456
Energy at 298.15K
HF Energy	-259.051826
Nuclear repulsion energy	156.500754

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	3323	3172	3.43	84.01	0.10	0.18
2	A₁	1341	1280	27.07	11.02	0.74	0.85
3	A₁	1122	1071	11.57	17.80	0.19	0.32
4	A₁	1073	1024	0.65	4.08	0.33	0.50
5	A₁	929	887	2.45	3.49	0.64	0.78
6	A₁	825	787	6.85	5.91	0.12	0.21
7	A₂	879	839	0.00	1.63	0.75	0.86
8	A₂	641	612	0.00	0.75	0.75	0.86
9	B₁	853	814	52.35	1.79	0.75	0.86
10	B₁	590	563	0.76	0.26	0.75	0.86
11	B₂	3305	3155	0.12	50.37	0.75	0.86
12	B₂	1401	1338	13.81	0.48	0.75	0.86
13	B₂	1153	1101	3.05	0.00	0.75	0.86
14	B₂	959	915	10.95	4.62	0.75	0.86
15	B₂	789	753	0.07	0.45	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	1.200
N2	1.208	0.346
N3	-1.208	0.346
C4	0.711	-0.911
C5	-0.711	-0.911
H6	1.378	-1.757
H7	-1.378	-1.757

	O1	N2	N3	C4	C5	H6	H7
O1		1.4797	1.4797	2.2270	2.2270	3.2621	3.2621
N2	1.4797		2.4167	1.3513	2.2938	2.1093	3.3333
N3	1.4797	2.4167		2.2938	1.3513	3.3333	2.1093
C4	2.2270	1.3513	2.2938		1.4216	1.0777	2.2538
C5	2.2270	2.2938	1.3513	1.4216		2.2538	1.0777
H6	3.2621	2.1093	3.3333	1.0777	2.2538		2.7564
H7	3.2621	3.3333	2.1093	2.2538	1.0777	2.7564

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N2	C4	103.651	O1	N3	C5	103.651
N2	O1	N3	109.490	N2	C4	C5	111.604
N2	C4	H6	120.129	N3	C5	C4	111.604
N3	C5	H7	120.129	C4	C5	H7	128.267
C5	C4	H6	128.267

All results from a given calculation for C₂H₂N₂O (Furazan)

using model chemistry: MP2/3-21G

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: MP2/3-21G

States and conformations

All results from a given calculation for C₂H₂N₂O (Furazan)