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	hartrees
Energy at 0K	-261.346015
Energy at 298.15K
HF Energy	-260.558733
Nuclear repulsion energy	162.501966

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	3335	3176	1.59	93.12	0.10	0.19
2	A₁	1434	1366	27.09	7.61	0.75	0.85
3	A₁	1294	1233	0.82	16.45	0.11	0.20
4	A₁	1082	1030	0.83	8.14	0.45	0.62
5	A₁	1045	995	14.06	6.70	0.22	0.36
6	A₁	917	873	11.91	4.47	0.12	0.21
7	A₂	881	840	0.00	0.63	0.75	0.86
8	A₂	647	616	0.00	0.64	0.75	0.86
9	B₁	846	806	37.73	0.82	0.75	0.86
10	B₁	668	636	1.14	0.19	0.75	0.86
11	B₂	3319	3161	0.91	51.78	0.75	0.86
12	B₂	1501	1430	0.33	1.02	0.75	0.86
13	B₂	1175	1119	6.05	0.01	0.75	0.86
14	B₂	968	922	16.06	3.39	0.75	0.86
15	B₂	938	894	1.32	1.66	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	1.125
N2	1.136	0.369
N3	-1.136	0.369
C4	0.707	-0.895
C5	-0.707	-0.895
H6	1.419	-1.717
H7	-1.419	-1.717

	O1	N2	N3	C4	C5	H6	H7
O1		1.3646	1.3646	2.1398	2.1398	3.1770	3.1770
N2	1.3646		2.2720	1.3347	2.2343	2.1055	3.2988
N3	1.3646	2.2720		2.2343	1.3347	3.2988	2.1055
C4	2.1398	1.3347	2.2343		1.4132	1.0884	2.2795
C5	2.1398	2.2343	1.3347	1.4132		2.2795	1.0884
H6	3.1770	2.1055	3.2988	1.0884	2.2795		2.8384
H7	3.1770	3.2988	2.1055	2.2795	1.0884	2.8384

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N2	C4	104.881	O1	N3	C5	104.881
N2	O1	N3	112.708	N2	C4	C5	108.765
N2	C4	H6	120.336	N3	C5	C4	108.765
N3	C5	H7	120.336	C4	C5	H7	130.899
C5	C4	H6	130.899

All results from a given calculation for C₂H₂N₂O (Furazan)

using model chemistry: MP2/cc-pVDZ

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/cc-pVDZ

States and conformations

All results from a given calculation for C₂H₂N₂O (Furazan)