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	hartrees
Energy at 0K	-261.427835
Energy at 298.15K
HF Energy	-260.599037
Nuclear repulsion energy	163.237857

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	3159	1.15	90.21	0.11	0.20
2	A₁	1424	1353	26.81	8.10	0.73	0.85
3	A₁	1297	1232	0.97	17.38	0.10	0.18
4	A₁	1087	1032	0.60	7.14	0.37	0.54
5	A₁	1052	1000	15.99	7.05	0.22	0.37
6	A₁	924	878	13.28	4.41	0.15	0.26
7	A₂	864	821	0.00	0.45	0.75	0.86
8	A₂	640	608	0.00	0.38	0.75	0.86
9	B₁	845	803	41.84	0.31	0.75	0.86
10	B₁	665	632	1.24	0.20	0.75	0.86
11	B₂	3309	3144	0.96	49.93	0.75	0.86
12	B₂	1500	1426	0.35	1.00	0.75	0.86
13	B₂	1186	1127	6.07	0.01	0.75	0.86
14	B₂	975	926	13.28	2.38	0.75	0.86
15	B₂	948	901	2.87	2.49	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	1.122
N2	1.131	0.366
N3	-1.131	0.366
C4	0.704	-0.891
C5	-0.704	-0.891
H6	1.411	-1.706
H7	-1.411	-1.706

	O1	N2	N3	C4	C5	H6	H7
O1		1.3602	1.3602	2.1318	2.1318	3.1598	3.1598
N2	1.3602		2.2619	1.3273	2.2239	2.0906	3.2791
N3	1.3602	2.2619		2.2239	1.3273	3.2791	2.0906
C4	2.1318	1.3273	2.2239		1.4076	1.0790	2.2662
C5	2.1318	2.2239	1.3273	1.4076		2.2662	1.0790
H6	3.1598	2.0906	3.2791	1.0790	2.2662		2.8215
H7	3.1598	3.2791	2.0906	2.2662	1.0790	2.8215

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N2	C4	104.973	O1	N3	C5	104.973
N2	O1	N3	112.506	N2	C4	C5	108.774
N2	C4	H6	120.290	N3	C5	C4	108.774
N3	C5	H7	120.290	C4	C5	H7	130.935
C5	C4	H6	130.935

All results from a given calculation for C₂H₂N₂O (Furazan)

using model chemistry: MP2/6-311G**

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: MP2/6-311G**

States and conformations

All results from a given calculation for C₂H₂N₂O (Furazan)