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	hartrees
Energy at 0K	-77.708908
Energy at 298.15K	-77.710420
HF Energy	-77.410499
Nuclear repulsion energy	28.459494

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3290	3290
2	A'	3233	3233
3	A'	3126	3126
4	A'	1641	1641
5	A'	1404	1404
6	A'	1069	1069
7	A'	724	724
8	A"	928	928
9	A"	828	828

Atom	x (Å)	y (Å)
C1	0.050	0.721
C2	0.050	-0.588
H3	-0.683	1.511
H4	-0.882	-1.149
H5	0.969	-1.160

	C1	C2	H3	H4	H5
C1		1.3099	1.0771	2.0900	2.0943
C2	1.3099		2.2239	1.0874	1.0824
H3	1.0771	2.2239		2.6682	3.1409
H4	2.0900	1.0874	2.6682		1.8505
H5	2.0943	1.0824	3.1409	1.8505

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	H4	121.052		C1	C2	H5	121.902
C2	C1	H3	137.169		H4	C2	H5	117.045

All results from a given calculation for C₂H₃ (vinyl)

using model chemistry: ROMP2/6-311+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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Number	Element	Mulliken
1	C	-0.258
2	C	-0.182
3	H	0.173
4	H	0.130
5	H	0.138

<r²>	20.480
(<r²>)^1/2	4.525

All results from a given calculation for C2H3 (vinyl)

using model chemistry: ROMP2/6-311+G(3df,2p)

States and conformations

All results from a given calculation for C₂H₃ (vinyl)