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	hartrees
Energy at 0K	-261.591864
Energy at 298.15K
HF Energy	-260.648760
Nuclear repulsion energy	164.706290

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3344	3344	0.87
2	A₁	1509	1509	16.21
3	A₁	1382	1382	3.01
4	A₁	1081	1081	15.72
5	A₁	1071	1071	12.78
6	A₁	940	940	23.08
7	A₂	918	918	0.00
8	A₂	663	663	0.00
9	B₁	887	887	38.44
10	B₁	659	659	1.44
11	B₂	3329	3329	0.19
12	B₂	1634	1634	0.12
13	B₂	1240	1240	3.36
14	B₂	1018	1018	1.43
15	B₂	984	984	19.92

Atom	y (Å)	z (Å)
O1	0.000	1.116
N2	1.118	0.355
N3	-1.118	0.355
C4	0.711	-0.877
C5	-0.711	-0.877
H6	1.408	-1.692
H7	-1.408	-1.692

	O1	N2	N3	C4	C5	H6	H7
O1		1.3523	1.3523	2.1156	2.1156	3.1411	3.1411
N2	1.3523		2.2365	1.2979	2.2052	2.0679	3.2514
N3	1.3523	2.2365		2.2052	1.2979	3.2514	2.0679
C4	2.1156	1.2979	2.2052		1.4212	1.0726	2.2696
C5	2.1156	2.2052	1.2979	1.4212		2.2696	1.0726
H6	3.1411	2.0679	3.2514	1.0726	2.2696		2.8150
H7	3.1411	3.2514	2.0679	2.2696	1.0726	2.8150

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N2	C4	105.915	O1	N3	C5	105.915
N2	O1	N3	111.559	N2	C4	C5	108.305
N2	C4	H6	121.173	N3	C5	C4	108.305
N3	C5	H7	121.173	C4	C5	H7	130.522
C5	C4	H6	130.522

All results from a given calculation for C₂H₂N₂O (Furazan)

using model chemistry: MP3/Def2TZVPP

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: MP3/Def2TZVPP

States and conformations

All results from a given calculation for C₂H₂N₂O (Furazan)