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	hartrees
Energy at 0K	-257.551892
Energy at 298.15K
HF Energy	-257.213762
Nuclear repulsion energy	156.706727

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	3582	3184	23.76	48.08	0.12	0.22
2	A₁	1424	1266	33.63	8.61	0.73	0.85
3	A₁	1235	1098	15.93	6.45	0.24	0.38
4	A₁	1131	1006	1.52	9.49	0.32	0.48
5	A₁	1069	950	0.02	7.72	0.25	0.40
6	A₁	928	825	0.48	1.68	0.19	0.32
7	A₂	910	808	0.00	1.00	0.75	0.86
8	A₂	647	575	0.00	0.88	0.75	0.86
9	B₁	852	757	14.49	1.43	0.75	0.86
10	B₁	608	541	1.14	0.06	0.75	0.86
11	B₂	3564	3168	16.52	33.09	0.75	0.86
12	B₂	1488	1323	10.50	1.08	0.75	0.86
13	B₂	1228	1091	3.27	0.01	0.75	0.86
14	B₂	1086	965	0.05	0.01	0.75	0.86
15	B₂	961	854	6.77	4.53	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	1.173
N2	1.190	0.379
N3	-1.190	0.379
C4	0.713	-0.929
C5	-0.713	-0.929
H6	1.411	-1.775
H7	-1.411	-1.775

	O1	N2	N3	C4	C5	H6	H7
O1		1.4308	1.4308	2.2194	2.2194	3.2685	3.2685
N2	1.4308		2.3804	1.3921	2.3090	2.1652	3.3775
N3	1.4308	2.3804		2.3090	1.3921	3.3775	2.1652
C4	2.2194	1.3921	2.3090		1.4257	1.0973	2.2866
C5	2.2194	2.3090	1.3921	1.4257		2.2866	1.0973
H6	3.2685	2.1652	3.3775	1.0973	2.2866		2.8230
H7	3.2685	3.3775	2.1652	2.2866	1.0973	2.8230

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N2	C4	103.659	O1	N3	C5	103.659
N2	O1	N3	112.576	N2	C4	C5	110.053
N2	C4	H6	120.401	N3	C5	C4	110.053
N3	C5	H7	120.401	C4	C5	H7	129.546
C5	C4	H6	129.546

All results from a given calculation for C₂H₂N₂O (Furazan)

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

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/STO-3G

States and conformations

All results from a given calculation for C₂H₂N₂O (Furazan)