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	hartrees
Energy at 0K	-340.758272
Energy at 298.15K
HF Energy	-339.463848
Nuclear repulsion energy	230.986347

Atom	y (Å)	z (Å)
C1	0.000	0.777
O2	0.000	1.958
O3	1.099	-0.017
O4	-1.099	-0.017
C5	0.662	-1.321
C6	-0.662	-1.321
H7	1.402	-2.096
H8	-1.402	-2.096

	C1	O2	O3	O4	C5	C6	H7	H8
C1		1.1806	1.3557	1.3557	2.2003	2.2003	3.1970	3.1970
O2	1.1806		2.2600	2.2600	3.3451	3.3451	4.2894	4.2894
O3	1.3557	2.2600		2.1972	1.3751	2.1909	2.1009	3.2517
O4	1.3557	2.2600	2.1972		2.1909	1.3751	3.2517	2.1009
C5	2.2003	3.3451	1.3751	2.1909		1.3240	1.0713	2.2044
C6	2.2003	3.3451	2.1909	1.3751	1.3240		2.2044	1.0713
H7	3.1970	4.2894	2.1009	3.2517	1.0713	2.2044		2.8033
H8	3.1970	4.2894	3.2517	2.1009	2.2044	1.0713	2.8033

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	C5	107.361	C1	O4	C6	107.361
O2	C1	O3	125.872	O2	C1	O4	125.872
O3	C1	O4	108.256	O3	C5	C6	108.511
O3	C5	H7	117.828	O4	C6	C5	108.511
O4	C6	H8	117.828	C5	C6	H8	133.661
C6	C5	H7	133.661

All results from a given calculation for C₃H₂O₃ (vinylene carbonate)

using model chemistry: CCSD=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 C3H2O3 (vinylene carbonate)

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

States and conformations

All results from a given calculation for C₃H₂O₃ (vinylene carbonate)