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	hartrees
Energy at 0K	-261.661387
Energy at 298.15K
HF Energy	-260.639049
Nuclear repulsion energy	164.821428

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3338	3164	0.54
2	A₁	1519	1440	15.07
3	A₁	1386	1314	4.45
4	A₁	1081	1025	3.06
5	A₁	1062	1007	19.79
6	A₁	931	883	22.81
7	A₂	958	908	0.00
8	A₂	671	637	0.00
9	B₁	904	857	37.09
10	B₁	661	627	1.72
11	B₂	3320	3147	0.11
12	B₂	1639	1554	0.15
13	B₂	1242	1178	3.67
14	B₂	983	932	21.35
15	B₂	967	917	1.20

Atom	y (Å)	z (Å)
O1	0.000	1.118
N2	1.119	0.353
N3	-1.119	0.353
C4	0.709	-0.874
C5	-0.709	-0.874
H6	1.397	-1.692
H7	-1.397	-1.692

	O1	N2	N3	C4	C5	H6	H7
O1		1.3558	1.3558	2.1142	2.1142	3.1379	3.1379
N2	1.3558		2.2388	1.2940	2.2017	2.0635	3.2426
N3	1.3558	2.2388		2.2017	1.2940	3.2426	2.0635
C4	2.1142	1.2940	2.2017		1.4173	1.0690	2.2592
C5	2.1142	2.2017	1.2940	1.4173		2.2592	1.0690
H6	3.1379	2.0635	3.2426	1.0690	2.2592		2.7946
H7	3.1379	3.2426	2.0635	2.2592	1.0690	2.7946

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N2	C4	105.837	O1	N3	C5	105.837
N2	O1	N3	111.311	N2	C4	C5	108.508
N2	C4	H6	121.388	N3	C5	C4	108.508
N3	C5	H7	121.388	C4	C5	H7	130.105
C5	C4	H6	130.105

All results from a given calculation for C₂H₂N₂O (Furazan)

using model chemistry: CCSD=FULL/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: CCSD=FULL/cc-pVTZ

States and conformations

All results from a given calculation for C₂H₂N₂O (Furazan)