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	hartrees
Energy at 0K	-261.479067
Energy at 298.15K
HF Energy	-260.563953
Nuclear repulsion energy	163.502880

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	3345	3160	2.08	83.31	0.10	0.18
2	A₁	1427	1348	25.24	6.61	0.75	0.86
3	A₁	1294	1222	0.68	15.34	0.09	0.16
4	A₁	1098	1037	0.25	7.93	0.34	0.51
5	A₁	1060	1001	15.21	7.63	0.18	0.30
6	A₁	930	878	9.10	4.00	0.11	0.19
7	A₂	907	857	0.00	0.53	0.75	0.86
8	A₂	657	620	0.00	0.64	0.75	0.86
9	B₁	864	816	33.58	0.81	0.75	0.86
10	B₁	675	637	1.91	0.25	0.75	0.86
11	B₂	3330	3145	1.83	48.46	0.75	0.86
12	B₂	1497	1414	0.67	0.62	0.75	0.86
13	B₂	1192	1126	5.86	0.05	0.75	0.86
14	B₂	982	927	8.31	0.29	0.75	0.86
15	B₂	959	906	10.52	4.03	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	1.121
N2	1.128	0.366
N3	-1.128	0.366
C4	0.700	-0.891
C5	-0.700	-0.891
H6	1.406	-1.704
H7	-1.406	-1.704

	O1	N2	N3	C4	C5	H6	H7
O1		1.3578	1.3578	2.1301	2.1301	3.1555	3.1555
N2	1.3578		2.2568	1.3276	2.2187	2.0883	3.2722
N3	1.3578	2.2568		2.2187	1.3276	3.2722	2.0883
C4	2.1301	1.3276	2.2187		1.4003	1.0768	2.2577
C5	2.1301	2.2187	1.3276	1.4003		2.2577	1.0768
H6	3.1555	2.0883	3.2722	1.0768	2.2577		2.8121
H7	3.1555	3.2722	2.0883	2.2577	1.0768	2.8121

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N2	C4	104.973	O1	N3	C5	104.973
N2	O1	N3	112.417	N2	C4	C5	108.818
N2	C4	H6	120.222	N3	C5	C4	108.818
N3	C5	H7	120.222	C4	C5	H7	130.959
C5	C4	H6	130.959

All results from a given calculation for C₂H₂N₂O (Furazan)

using model chemistry: MP2/6-31G(2df,p)

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: MP2/6-31G(2df,p)

States and conformations

All results from a given calculation for C₂H₂N₂O (Furazan)