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	hartrees
Energy at 0K	-261.396391
Energy at 298.15K
HF Energy	-260.581408
Nuclear repulsion energy	162.917422

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3312	3194	0.45
2	A₁	1491	1438	19.72
3	A₁	1359	1311	2.44
4	A₁	1065	1027	4.57
5	A₁	1044	1007	19.90
6	A₁	915	883	22.94
7	A₂	875	844	0.00
8	A₂	645	622	0.00
9	B₁	861	831	38.30
10	B₁	643	620	1.25
11	B₂	3296	3179	0.10
12	B₂	1607	1550	0.04
13	B₂	1210	1167	3.59
14	B₂	988	953	6.09
15	B₂	963	929	12.67

Atom	y (Å)	z (Å)
O1	0.000	1.127
N2	1.132	0.360
N3	-1.132	0.360
C4	0.717	-0.886
C5	-0.717	-0.886
H6	1.424	-1.712
H7	-1.424	-1.712

	O1	N2	N3	C4	C5	H6	H7
O1		1.3674	1.3674	2.1367	2.1367	3.1765	3.1765
N2	1.3674		2.2634	1.3125	2.2290	2.0926	3.2898
N3	1.3674	2.2634		2.2290	1.3125	3.2898	2.0926
C4	2.1367	1.3125	2.2290		1.4341	1.0876	2.2948
C5	2.1367	2.2290	1.3125	1.4341		2.2948	1.0876
H6	3.1765	2.0926	3.2898	1.0876	2.2948		2.8471
H7	3.1765	3.2898	2.0926	2.2948	1.0876	2.8471

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N2	C4	105.729	O1	N3	C5	105.729
N2	O1	N3	111.708	N2	C4	C5	108.417
N2	C4	H6	121.071	N3	C5	C4	108.417
N3	C5	H7	121.071	C4	C5	H7	130.512
C5	C4	H6	130.512

All results from a given calculation for C₂H₂N₂O (Furazan)

using model chemistry: CCD/aug-cc-pVDZ

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: CCD/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₂H₂N₂O (Furazan)