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	hartrees
Energy at 0K	-261.428851
Energy at 298.15K
HF Energy	-260.641298
Nuclear repulsion energy	166.381499

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3414	3163	0.65
2	A₁	1573	1457	13.57
3	A₁	1436	1330	4.72
4	A₁	1130	1047	37.67
5	A₁	1105	1023	1.31
6	A₁	985	912	23.56
7	A₂	992	919	0.00
8	A₂	697	646	0.00
9	B₁	936	867	37.48
10	B₁	692	641	1.88
11	B₂	3399	3149	0.10
12	B₂	1714	1588	0.06
13	B₂	1288	1193	3.19
14	B₂	1085	1005	0.80
15	B₂	1019	944	25.43

Atom	y (Å)	z (Å)
O1	0.000	1.104
N2	1.104	0.353
N3	-1.104	0.353
C4	0.708	-0.868
C5	-0.708	-0.868
H6	1.401	-1.679
H7	-1.401	-1.679

	O1	N2	N3	C4	C5	H6	H7
O1		1.3348	1.3348	2.0950	2.0950	3.1155	3.1155
N2	1.3348		2.2080	1.2843	2.1850	2.0541	3.2256
N3	1.3348	2.2080		2.1850	1.2843	3.2256	2.0541
C4	2.0950	1.2843	2.1850		1.4151	1.0668	2.2589
C5	2.0950	2.1850	1.2843	1.4151		2.2589	1.0668
H6	3.1155	2.0541	3.2256	1.0668	2.2589		2.8014
H7	3.1155	3.2256	2.0541	2.2589	1.0668	2.8014

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N2	C4	106.222	O1	N3	C5	106.222
N2	O1	N3	111.598	N2	C4	C5	107.979
N2	C4	H6	121.497	N3	C5	C4	107.979
N3	C5	H7	121.497	C4	C5	H7	130.524
C5	C4	H6	130.524

All results from a given calculation for C₂H₂N₂O (Furazan)

using model chemistry: CID/cc-pVTZ

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: CID/cc-pVTZ

States and conformations

All results from a given calculation for C₂H₂N₂O (Furazan)