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	hartrees
Energy at 0K	-261.592917
Energy at 298.15K
HF Energy	-260.637350
Nuclear repulsion energy	163.946270

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3312	3165	0.43
2	A₁	1506	1439	14.22
3	A₁	1367	1306	5.82
4	A₁	1067	1020	2.06
5	A₁	1042	996	17.23
6	A₁	908	868	23.01
7	A₂	929	888	0.00
8	A₂	660	630	0.00
9	B₁	884	845	37.46
10	B₁	648	619	1.52
11	B₂	3297	3151	0.07
12	B₂	1626	1553	0.08
13	B₂	1226	1171	3.74
14	B₂	971	928	21.80
15	B₂	936	895	0.95

Atom	y (Å)	z (Å)
O1	0.000	1.124
N2	1.127	0.353
N3	-1.127	0.353
C4	0.712	-0.877
C5	-0.712	-0.877
H6	1.406	-1.699
H7	-1.406	-1.699

	O1	N2	N3	C4	C5	H6	H7
O1		1.3655	1.3655	2.1240	2.1240	3.1529	3.1529
N2	1.3655		2.2543	1.2983	2.2131	2.0702	3.2595
N3	1.3655	2.2543		2.2131	1.2983	3.2595	2.0702
C4	2.1240	1.2983	2.2131		1.4248	1.0747	2.2718
C5	2.1240	2.2131	1.2983	1.4248		2.2718	1.0747
H6	3.1529	2.0702	3.2595	1.0747	2.2718		2.8117
H7	3.1529	3.2595	2.0702	2.2718	1.0747	2.8117

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N2	C4	105.734	O1	N3	C5	105.734
N2	O1	N3	111.273	N2	C4	C5	108.630
N2	C4	H6	121.189	N3	C5	C4	108.630
N3	C5	H7	121.189	C4	C5	H7	130.181
C5	C4	H6	130.181

All results from a given calculation for C₂H₂N₂O (Furazan)

using model chemistry: QCISD/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: QCISD/cc-pVTZ

States and conformations

All results from a given calculation for C₂H₂N₂O (Furazan)