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	hartrees
Energy at 0K	-261.433011
Energy at 298.15K
HF Energy	-260.603621
Nuclear repulsion energy	163.729091

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3310	3310	0.38
2	A₁	1496	1496	14.19
3	A₁	1368	1368	4.67
4	A₁	1068	1068	7.66
5	A₁	1052	1052	13.99
6	A₁	922	922	25.10
7	A₂	887	887	0.00
8	A₂	647	647	0.00
9	B₁	867	867	37.12
10	B₁	646	646	0.77
11	B₂	3296	3296	0.06
12	B₂	1619	1619	0.15
13	B₂	1220	1220	3.79
14	B₂	975	975	20.30
15	B₂	962	962	0.00

Atom	y (Å)	z (Å)
O1	0.000	1.122
N2	1.127	0.357
N3	-1.127	0.357
C4	0.715	-0.880
C5	-0.715	-0.880
H6	1.415	-1.703
H7	-1.415	-1.703

	O1	N2	N3	C4	C5	H6	H7
O1		1.3616	1.3616	2.1258	2.1258	3.1588	3.1588
N2	1.3616		2.2533	1.3038	2.2189	2.0796	3.2714
N3	1.3616	2.2533		2.2189	1.3038	3.2714	2.0796
C4	2.1258	1.3038	2.2189		1.4306	1.0798	2.2836
C5	2.1258	2.2189	1.3038	1.4306		2.2836	1.0798
H6	3.1588	2.0796	3.2714	1.0798	2.2836		2.8302
H7	3.1588	3.2714	2.0796	2.2836	1.0798	2.8302

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N2	C4	105.771	O1	N3	C5	105.771
N2	O1	N3	111.675	N2	C4	C5	108.391
N2	C4	H6	121.211	N3	C5	C4	108.391
N3	C5	H7	121.211	C4	C5	H7	130.398
C5	C4	H6	130.398

All results from a given calculation for C₂H₂N₂O (Furazan)

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

States and conformations

All results from a given calculation for C₂H₂N₂O (Furazan)