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	hartrees
Energy at 0K	-77.635827
Energy at 298.15K	-77.637335
HF Energy	-77.389226
Nuclear repulsion energy	28.101928

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3288	3288
2	A'	3256	3256
3	A'	3144	3144
4	A'	1647	1647
5	A'	1390	1390
6	A'	1080	1080
7	A'	733	733
8	A"	919	919
9	A"	809	809

Atom	x (Å)	y (Å)
C1	0.051	0.732
C2	0.051	-0.595
H3	-0.709	1.517
H4	-0.892	-1.163
H5	0.984	-1.171

	C1	C2	H3	H4	H5
C1		1.3269	1.0927	2.1165	2.1191
C2	1.3269		2.2447	1.1009	1.0961
H3	1.0927	2.2447		2.6863	3.1766
H4	2.1165	1.1009	2.6863		1.8756
H5	2.1191	1.0961	3.1766	1.8756

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	H4	121.052		C1	C2	H5	121.703
C2	C1	H3	135.938		H4	C2	H5	117.245

All results from a given calculation for C₂H₃ (vinyl)

using model chemistry: ROMP2/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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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	-0.134
2	C	-0.089
3	H	0.082
4	H	0.068
5	H	0.071

<r²>	20.659
(<r²>)^1/2	4.545

All results from a given calculation for C2H3 (vinyl)

using model chemistry: ROMP2/cc-pVDZ

States and conformations

All results from a given calculation for C₂H₃ (vinyl)