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	hartrees
Energy at 0K	-261.583754
Energy at 298.15K
HF Energy	-260.635805
Nuclear repulsion energy	164.844340

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3335	3335	1.07
2	A₁	1508	1508	16.44
3	A₁	1381	1381	2.79
4	A₁	1085	1085	27.18
5	A₁	1072	1072	3.62
6	A₁	946	946	21.18
7	A₂	928	928	0.00
8	A₂	665	665	0.00
9	B₁	885	885	37.54
10	B₁	661	661	1.35
11	B₂	3321	3321	0.34
12	B₂	1635	1635	0.06
13	B₂	1241	1241	3.06
14	B₂	1033	1033	1.05
15	B₂	987	987	19.58

Atom	y (Å)	z (Å)
O1	0.000	1.114
N2	1.116	0.356
N3	-1.116	0.356
C4	0.711	-0.877
C5	-0.711	-0.877
H6	1.410	-1.691
H7	-1.410	-1.691

	O1	N2	N3	C4	C5	H6	H7
O1		1.3492	1.3492	2.1141	2.1141	3.1404	3.1404
N2	1.3492		2.2321	1.2980	2.2038	2.0688	3.2521
N3	1.3492	2.2321		2.2038	1.2980	3.2521	2.0688
C4	2.1141	1.2980	2.2038		1.4212	1.0740	2.2721
C5	2.1141	2.2038	1.2980	1.4212		2.2721	1.0740
H6	3.1404	2.0688	3.2521	1.0740	2.2721		2.8208
H7	3.1404	3.2521	2.0688	2.2721	1.0740	2.8208

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N2	C4	105.985	O1	N3	C5	105.985
N2	O1	N3	111.623	N2	C4	C5	108.204
N2	C4	H6	121.134	N3	C5	C4	108.204
N3	C5	H7	121.134	C4	C5	H7	130.662
C5	C4	H6	130.662

All results from a given calculation for C₂H₂N₂O (Furazan)

using model chemistry: MP3/6-311+G(3df,2p)

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: MP3/6-311+G(3df,2p)

States and conformations

All results from a given calculation for C₂H₂N₂O (Furazan)