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	hartrees
Energy at 0K	-261.366393
Energy at 298.15K
HF Energy	-260.563771
Nuclear repulsion energy	163.065071

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3323	3323	0.76
2	A₁	1508	1508	14.33
3	A₁	1365	1365	4.60
4	A₁	1065	1065	4.80
5	A₁	1043	1043	13.69
6	A₁	913	913	24.59
7	A₂	903	903	0.00
8	A₂	651	651	0.00
9	B₁	869	869	33.84
10	B₁	648	648	0.73
11	B₂	3308	3308	0.08
12	B₂	1623	1623	0.11
13	B₂	1210	1210	3.83
14	B₂	971	971	20.98
15	B₂	938	938	0.62

Atom	y (Å)	z (Å)
O1	0.000	1.125
N2	1.131	0.359
N3	-1.131	0.359
C4	0.717	-0.884
C5	-0.717	-0.884
H6	1.423	-1.713
H7	-1.423	-1.713

	O1	N2	N3	C4	C5	H6	H7
O1		1.3662	1.3662	2.1330	2.1330	3.1743	3.1743
N2	1.3662		2.2627	1.3102	2.2278	2.0923	3.2889
N3	1.3662	2.2627		2.2278	1.3102	3.2889	2.0923
C4	2.1330	1.3102	2.2278		1.4348	1.0884	2.2951
C5	2.1330	2.2278	1.3102	1.4348		2.2951	1.0884
H6	3.1743	2.0923	3.2889	1.0884	2.2951		2.8457
H7	3.1743	3.2889	2.0923	2.2951	1.0884	2.8457

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N2	C4	105.671	O1	N3	C5	105.671
N2	O1	N3	111.817	N2	C4	C5	108.420
N2	C4	H6	121.178	N3	C5	C4	108.420
N3	C5	H7	121.178	C4	C5	H7	130.402
C5	C4	H6	130.402

All results from a given calculation for C₂H₂N₂O (Furazan)

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

States and conformations

All results from a given calculation for C₂H₂N₂O (Furazan)