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	hartrees
Energy at 0K	-261.759614
Energy at 298.15K
HF Energy	-260.632495
Nuclear repulsion energy	163.598467

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3295	3295
2	A₁	1463	1463
3	A₁	1342	1342
4	A₁	1063	1063
5	A₁	1028	1028
6	A₁	896	896
7	A₂	904	904
8	A₂	649	649
9	B₁	860	860
10	B₁	644	644
11	B₂	3280	3280
12	B₂	1575	1575
13	B₂	1204	1204
14	B₂	958	958
15	B₂	889	889

Atom	y (Å)	z (Å)
O1	0.000	1.126
N2	1.130	0.355
N3	-1.130	0.355
C4	0.710	-0.881
C5	-0.710	-0.881
H6	1.408	-1.701
H7	-1.408	-1.701

	O1	N2	N3	C4	C5	H6	H7
O1		1.3675	1.3675	2.1289	2.1289	3.1581	3.1581
N2	1.3675		2.2593	1.3053	2.2166	2.0748	3.2660
N3	1.3675	2.2593		2.2166	1.3053	3.2660	2.0748
C4	2.1289	1.3053	2.2166		1.4206	1.0766	2.2714
C5	2.1289	2.2166	1.3053	1.4206		2.2714	1.0766
H6	3.1581	2.0748	3.2660	1.0766	2.2714		2.8158
H7	3.1581	3.2660	2.0748	2.2714	1.0766	2.8158

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N2	C4	105.568	O1	N3	C5	105.568
N2	O1	N3	111.387	N2	C4	C5	108.739
N2	C4	H6	120.869	N3	C5	C4	108.739
N3	C5	H7	120.869	C4	C5	H7	130.392
C5	C4	H6	130.392

All results from a given calculation for C₂H₂N₂O (Furazan)

using model chemistry: QCISD(T)=FULL/6-311+G(3df,2p)

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: QCISD(T)=FULL/6-311+G(3df,2p)

States and conformations

All results from a given calculation for C₂H₂N₂O (Furazan)