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	hartrees
Energy at 0K	-261.358986
Energy at 298.15K
HF Energy	-260.562813
Nuclear repulsion energy	162.692173

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3314	3180	0.65
2	A₁	1508	1447	13.44
3	A₁	1358	1303	5.91
4	A₁	1059	1016	2.96
5	A₁	1031	989	12.32
6	A₁	895	859	24.29
7	A₂	899	862	0.00
8	A₂	647	621	0.00
9	B₁	866	831	33.60
10	B₁	641	615	0.77
11	B₂	3299	3165	0.04
12	B₂	1619	1554	0.04
13	B₂	1206	1157	4.08
14	B₂	965	926	20.93
15	B₂	913	876	0.78

Atom	y (Å)	z (Å)
O1	0.000	1.128
N2	1.136	0.358
N3	-1.136	0.358
C4	0.719	-0.884
C5	-0.719	-0.884
H6	1.423	-1.716
H7	-1.423	-1.716

	O1	N2	N3	C4	C5	H6	H7
O1		1.3720	1.3720	2.1370	2.1370	3.1801	3.1801
N2	1.3720		2.2712	1.3108	2.2323	2.0938	3.2938
N3	1.3720	2.2712		2.2323	1.3108	3.2938	2.0938
C4	2.1370	1.3108	2.2323		1.4376	1.0896	2.2978
C5	2.1370	2.2323	1.3108	1.4376		2.2978	1.0896
H6	3.1801	2.0938	3.2938	1.0896	2.2978		2.8467
H7	3.1801	3.2938	2.0938	2.2978	1.0896	2.8467

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N2	C4	105.591	O1	N3	C5	105.591
N2	O1	N3	111.733	N2	C4	C5	108.543
N2	C4	H6	121.170	N3	C5	C4	108.543
N3	C5	H7	121.170	C4	C5	H7	130.288
C5	C4	H6	130.288

All results from a given calculation for C₂H₂N₂O (Furazan)

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

States and conformations

All results from a given calculation for C₂H₂N₂O (Furazan)