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	hartrees
Energy at 0K	-77.669218
Energy at 298.15K	-77.670728
HF Energy	-77.410084
Nuclear repulsion energy	28.454394

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3307	3307
2	A'	3251	3251
3	A'	3145	3145
4	A'	1654	1654
5	A'	1421	1421
6	A'	1088	1088
7	A'	741	741
8	A"	921	921
9	A"	794	794

Atom	x (Å)	y (Å)
C1	0.050	0.722
C2	0.050	-0.588
H3	-0.692	1.504
H4	-0.879	-1.154
H5	0.971	-1.157

	C1	C2	H3	H4	H5
C1		1.3102	1.0776	2.0938	2.0932
C2	1.3102		2.2192	1.0879	1.0827
H3	1.0776	2.2192		2.6642	3.1379
H4	2.0938	1.0879	2.6642		1.8497
H5	2.0932	1.0827	3.1379	1.8497

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	H4	121.366		C1	C2	H5	121.741
C2	C1	H3	136.469		H4	C2	H5	116.893

All results from a given calculation for C₂H₃ (vinyl)

using model chemistry: ROMP2/TZVP

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	-0.110
2	C	-0.247
3	H	0.125
4	H	0.111
5	H	0.121

<r²>	20.470
(<r²>)^1/2	4.524

All results from a given calculation for C2H3 (vinyl)

using model chemistry: ROMP2/TZVP

States and conformations

All results from a given calculation for C₂H₃ (vinyl)