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	hartrees
Energy at 0K	-261.413496
Energy at 298.15K
HF Energy	-260.595133
Nuclear repulsion energy	163.218225

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	3322	3157	0.79	87.67	0.12	0.21
2	A₁	1429	1358	28.56	7.98	0.73	0.85
3	A₁	1297	1233	0.88	17.18	0.10	0.19
4	A₁	1090	1036	0.74	6.58	0.38	0.55
5	A₁	1052	1000	15.83	6.87	0.23	0.38
6	A₁	925	879	14.23	4.68	0.15	0.25
7	A₂	847	805	0.00	0.52	0.75	0.86
8	A₂	642	610	0.00	0.36	0.75	0.86
9	B₁	838	796	47.42	0.34	0.75	0.86
10	B₁	665	632	1.06	0.20	0.75	0.86
11	B₂	3308	3144	0.78	49.37	0.75	0.86
12	B₂	1504	1429	0.56	0.95	0.75	0.86
13	B₂	1188	1129	7.04	0.01	0.75	0.86
14	B₂	976	927	14.77	2.69	0.75	0.86
15	B₂	947	900	1.87	2.11	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	1.412	-1.705
H7	-1.412	-1.705

	O1	N2	N3	C4	C5	H6	H7
O1		1.3606	1.3606	2.1321	2.1321	3.1603	3.1603
N2	1.3606		2.2622	1.3271	2.2239	2.0901	3.2799
N3	1.3606	2.2622		2.2239	1.3271	3.2799	2.0901
C4	2.1321	1.3271	2.2239		1.4077	1.0796	2.2674
C5	2.1321	2.2239	1.3271	1.4077		2.2674	1.0796
H6	3.1603	2.0901	3.2799	1.0796	2.2674		2.8244
H7	3.1603	3.2799	2.0901	2.2674	1.0796	2.8244

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N2	C4	104.982	O1	N3	C5	104.982
N2	O1	N3	112.475	N2	C4	C5	108.781
N2	C4	H6	120.213	N3	C5	C4	108.781
N3	C5	H7	120.213	C4	C5	H7	131.007
C5	C4	H6	131.007

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)