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	hartrees
Energy at 0K	-261.408676
Energy at 298.15K
HF Energy	-260.579691
Nuclear repulsion energy	162.199260

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3304	3200	0.37
2	A₁	1498	1451	16.25
3	A₁	1347	1305	5.51
4	A₁	1054	1021	1.57
5	A₁	1016	984	14.65
6	A₁	878	851	24.18
7	A₂	869	842	0.00
8	A₂	637	617	0.00
9	B₁	856	829	38.23
10	B₁	627	608	1.35
11	B₂	3288	3186	0.06
12	B₂	1605	1555	0.00
13	B₂	1199	1161	3.42
14	B₂	956	927	20.20
15	B₂	890	862	0.26

Atom	y (Å)	z (Å)
O1	0.000	1.135
N2	1.141	0.356
N3	-1.141	0.356
C4	0.720	-0.886
C5	-0.720	-0.886
H6	1.422	-1.717
H7	-1.422	-1.717

	O1	N2	N3	C4	C5	H6	H7
O1		1.3812	1.3812	2.1451	2.1451	3.1868	3.1868
N2	1.3812		2.2812	1.3111	2.2368	2.0919	3.2960
N3	1.3812	2.2812		2.2368	1.3111	3.2960	2.0919
C4	2.1451	1.3111	2.2368		1.4396	1.0881	2.2974
C5	2.1451	2.2368	1.3111	1.4396		2.2974	1.0881
H6	3.1868	2.0919	3.2960	1.0881	2.2974		2.8439
H7	3.1868	3.2960	2.0919	2.2974	1.0881	2.8439

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N2	C4	105.611	O1	N3	C5	105.611
N2	O1	N3	111.338	N2	C4	C5	108.720
N2	C4	H6	121.092	N3	C5	C4	108.720
N3	C5	H7	121.092	C4	C5	H7	130.188
C5	C4	H6	130.188

All results from a given calculation for C₂H₂N₂O (Furazan)

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

States and conformations

All results from a given calculation for C₂H₂N₂O (Furazan)