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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	3151	3.46	83.94	0.10	0.18
2	A₁	1341	1271	27.08	11.02	0.74	0.85
3	A₁	1123	1064	11.55	17.82	0.19	0.32
4	A₁	1073	1017	0.65	4.05	0.33	0.50
5	A₁	930	881	2.44	3.50	0.64	0.78
6	A₁	825	782	6.84	5.92	0.12	0.21
7	A₂	879	833	0.00	1.63	0.75	0.86
8	A₂	641	608	0.00	0.75	0.75	0.86
9	B₁	853	809	52.36	1.79	0.75	0.86
10	B₁	590	559	0.75	0.26	0.75	0.86
11	B₂	3305	3134	0.13	50.32	0.75	0.86
12	B₂	1402	1329	13.83	0.48	0.75	0.86
13	B₂	1154	1094	3.05	0.00	0.75	0.86
14	B₂	959	909	10.92	4.63	0.75	0.86
15	B₂	789	748	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)