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	hartrees
Energy at 0K	-261.412744
Energy at 298.15K
HF Energy	-260.581003
Nuclear repulsion energy	162.213237

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3301	3301	0.38
2	A₁	1496	1496	16.14
3	A₁	1346	1346	5.55
4	A₁	1054	1054	1.37
5	A₁	1016	1016	15.01
6	A₁	879	879	23.94
7	A₂	910	910	0.00
8	A₂	641	641	0.00
9	B₁	861	861	37.74
10	B₁	626	626	1.42
11	B₂	3287	3287	0.06
12	B₂	1604	1604	0.00
13	B₂	1200	1200	3.35
14	B₂	956	956	20.20
15	B₂	891	891	0.24

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	1.421	-1.717
H7	-1.421	-1.717

	O1	N2	N3	C4	C5	H6	H7
O1		1.3810	1.3810	2.1449	2.1449	3.1861	3.1861
N2	1.3810		2.2810	1.3112	2.2368	2.0918	3.2954
N3	1.3810	2.2810		2.2368	1.3112	3.2954	2.0918
C4	2.1449	1.3112	2.2368		1.4397	1.0874	2.2968
C5	2.1449	2.2368	1.3112	1.4397		2.2968	1.0874
H6	3.1861	2.0918	3.2954	1.0874	2.2968		2.8426
H7	3.1861	3.2954	2.0918	2.2968	1.0874	2.8426

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N2	C4	105.610	O1	N3	C5	105.610
N2	O1	N3	111.356	N2	C4	C5	108.712
N2	C4	H6	121.122	N3	C5	C4	108.712
N3	C5	H7	121.122	C4	C5	H7	130.166
C5	C4	H6	130.166

All results from a given calculation for C₂H₂N₂O (Furazan)

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

States and conformations

All results from a given calculation for C₂H₂N₂O (Furazan)