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	hartrees
Energy at 0K	-261.405404
Energy at 298.15K
HF Energy	-260.580450
Nuclear repulsion energy	162.480856

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3305	3184	0.42
2	A₁	1495	1440	17.55
3	A₁	1352	1303	4.12
4	A₁	1058	1019	2.31
5	A₁	1027	989	17.19
6	A₁	895	862	24.42
7	A₂	871	839	0.00
8	A₂	640	617	0.00
9	B₁	858	826	38.47
10	B₁	633	610	1.26
11	B₂	3290	3169	0.08
12	B₂	1606	1547	0.04
13	B₂	1202	1158	3.18
14	B₂	962	926	20.18
15	B₂	913	880	0.09

Atom	y (Å)	z (Å)
O1	0.000	1.132
N2	1.137	0.357
N3	-1.137	0.357
C4	0.719	-0.886
C5	-0.719	-0.886
H6	1.423	-1.715
H7	-1.423	-1.715

	O1	N2	N3	C4	C5	H6	H7
O1		1.3759	1.3759	2.1418	2.1418	3.1829	3.1829
N2	1.3759		2.2742	1.3113	2.2337	2.0921	3.2936
N3	1.3759	2.2742		2.2337	1.3113	3.2936	2.0921
C4	2.1418	1.3113	2.2337		1.4378	1.0880	2.2967
C5	2.1418	2.2337	1.3113	1.4378		2.2967	1.0880
H6	3.1829	2.0921	3.2936	1.0880	2.2967		2.8453
H7	3.1829	3.2936	2.0921	2.2967	1.0880	2.8453

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N2	C4	105.671	O1	N3	C5	105.671
N2	O1	N3	111.466	N2	C4	C5	108.597
N2	C4	H6	121.098	N3	C5	C4	108.597
N3	C5	H7	121.098	C4	C5	H7	130.305
C5	C4	H6	130.305

All results from a given calculation for C₂H₂N₂O (Furazan)

using model chemistry: CCSD/aug-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/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₂H₂N₂O (Furazan)