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	hartrees
Energy at 0K	-261.354534
Energy at 298.15K
HF Energy	-260.552081
Nuclear repulsion energy	162.903450

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3357	3135	0.60
2	A₁	1516	1416	16.33
3	A₁	1376	1285	3.80
4	A₁	1081	1009	0.48
5	A₁	1034	966	20.41
6	A₁	906	846	26.05
7	A₂	863	806	0.00
8	A₂	633	591	0.00
9	B₁	863	806	43.73
10	B₁	626	585	0.81
11	B₂	3343	3122	0.09
12	B₂	1635	1526	0.07
13	B₂	1239	1157	3.97
14	B₂	972	908	17.53
15	B₂	936	874	0.03

Atom	y (Å)	z (Å)
O1	0.000	1.131
N2	1.137	0.354
N3	-1.137	0.354
C4	0.714	-0.883
C5	-0.714	-0.883
H6	1.407	-1.707
H7	-1.407	-1.707

	O1	N2	N3	C4	C5	H6	H7
O1		1.3774	1.3774	2.1369	2.1369	3.1674	3.1674
N2	1.3774		2.2739	1.3067	2.2263	2.0779	3.2735
N3	1.3774	2.2739		2.2263	1.3067	3.2735	2.0779
C4	2.1369	1.3067	2.2263		1.4287	1.0762	2.2755
C5	2.1369	2.2263	1.3067	1.4287		2.2755	1.0762
H6	3.1674	2.0779	3.2735	1.0762	2.2755		2.8135
H7	3.1674	3.2735	2.0779	2.2755	1.0762	2.8135

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N2	C4	105.496	O1	N3	C5	105.496
N2	O1	N3	111.267	N2	C4	C5	108.870
N2	C4	H6	121.087	N3	C5	C4	108.870
N3	C5	H7	121.087	C4	C5	H7	130.043
C5	C4	H6	130.043

All results from a given calculation for C₂H₂N₂O (Furazan)

using model chemistry: CCSD/6-31+G**

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: CCSD/6-31+G**

States and conformations

All results from a given calculation for C₂H₂N₂O (Furazan)