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	hartrees
Energy at 0K	-259.623129
Energy at 298.15K
HF Energy	-259.051902
Nuclear repulsion energy	156.520845

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	3324	3174	3.46	83.94	0.10	0.18
2	A₁	1341	1280	27.08	11.02	0.74	0.85
3	A₁	1123	1072	11.55	17.82	0.19	0.32
4	A₁	1073	1024	0.65	4.05	0.33	0.50
5	A₁	930	888	2.44	3.50	0.64	0.78
6	A₁	825	788	6.84	5.92	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	52.36	1.79	0.75	0.86
10	B₁	590	563	0.75	0.26	0.75	0.86
11	B₂	3305	3156	0.13	50.32	0.75	0.86
12	B₂	1402	1338	13.83	0.48	0.75	0.86
13	B₂	1154	1101	3.05	0.00	0.75	0.86
14	B₂	959	916	10.92	4.63	0.75	0.86
15	B₂	789	754	0.07	0.44	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	-0.910
C5	-0.711	-0.910
H6	1.378	-1.756
H7	-1.378	-1.756

	O1	N2	N3	C4	C5	H6	H7
O1		1.4795	1.4795	2.2267	2.2267	3.2617	3.2617
N2	1.4795		2.4163	1.3512	2.2935	2.1090	3.3329
N3	1.4795	2.4163		2.2935	1.3512	3.3329	2.1090
C4	2.2267	1.3512	2.2935		1.4214	1.0775	2.2536
C5	2.2267	2.2935	1.3512	1.4214		2.2536	1.0775
H6	3.2617	2.1090	3.3329	1.0775	2.2536		2.7563
H7	3.2617	3.3329	2.1090	2.2536	1.0775	2.7563

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N2	C4	103.652	O1	N3	C5	103.652
N2	O1	N3	109.488	N2	C4	C5	111.604
N2	C4	H6	120.121	N3	C5	C4	111.604
N3	C5	H7	120.121	C4	C5	H7	128.275
C5	C4	H6	128.275

All results from a given calculation for C₂H₂N₂O (Furazan)

using model chemistry: MP2=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: MP2=FULL/3-21G

States and conformations

All results from a given calculation for C₂H₂N₂O (Furazan)