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	hartrees
Energy at 0K	-261.714383
Energy at 298.15K
HF Energy	-260.636176
Nuclear repulsion energy	163.771122

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3312	3173
2	A₁	1471	1410
3	A₁	1349	1293
4	A₁	1069	1024
5	A₁	1031	988
6	A₁	900	862
7	A₂	926	887
8	A₂	655	628
9	B₁	878	841
10	B₁	647	620
11	B₂	3293	3155
12	B₂	1581	1514
13	B₂	1213	1162
14	B₂	963	923
15	B₂	889	852

Atom	y (Å)	z (Å)
O1	0.000	1.125
N2	1.130	0.354
N3	-1.130	0.354
C4	0.708	-0.880
C5	-0.708	-0.880
H6	1.397	-1.701
H7	-1.397	-1.701

	O1	N2	N3	C4	C5	H6	H7
O1		1.3676	1.3676	2.1264	2.1264	3.1519	3.1519
N2	1.3676		2.2596	1.3042	2.2142	2.0721	3.2567
N3	1.3676	2.2596		2.2142	1.3042	3.2567	2.0721
C4	2.1264	1.3042	2.2142		1.4168	1.0710	2.2594
C5	2.1264	2.2142	1.3042	1.4168		2.2594	1.0710
H6	3.1519	2.0721	3.2567	1.0710	2.2594		2.7935
H7	3.1519	3.2567	2.0721	2.2594	1.0710	2.7935

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N2	C4	105.449	O1	N3	C5	105.449
N2	O1	N3	111.404	N2	C4	C5	108.849
N2	C4	H6	121.158	N3	C5	C4	108.849
N3	C5	H7	121.158	C4	C5	H7	129.992
C5	C4	H6	129.992

All results from a given calculation for C₂H₂N₂O (Furazan)

using model chemistry: CCSD(T)=FULL/cc-pVTZ

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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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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All results from a given calculation for C2H2N2O (Furazan)

using model chemistry: CCSD(T)=FULL/cc-pVTZ

States and conformations

All results from a given calculation for C₂H₂N₂O (Furazan)