## I.B.3. (II.A.2.) |

Other names |
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1,3-Dithiacyclopentane-2-thial; 1,3-Dithiolan-2-thione; 1,3-Dithiolane-2-thione; Carbonic acid, trithio-, cyclic ethylene ester; Cyclic ethylene trithiocarbonate; Cylic ethylene trithiocarbonate; Ethylene trithiocarbonate; Trithiocarbonic acid, cyclic ethylene ester; |

INChI |
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InChI=1/C3H4S3/c4-3-5-1-2-6-3/h1-2H2 |

An "x" indicates that data is available. A number indicates how many calculations have been completed.

Property | Experiment | Calculated | Comparison | |
---|---|---|---|---|

Energies Entropies |
Enthalpy 298.15K | x | ||

Enthalpy 0K | ||||

Energy 0K | 182 | |||

Energy 298.15K | 157 | |||

Atomization Enthalpy 298.15K | x | 153 | x | |

Atomization Enthalpy 0K | 153 | |||

Entropy (298.15K) | 154 | |||

Entropy at any temperature | 154 | |||

Integrated Heat Capacity | 154 | |||

Heat Capacity (Cp) | 154 | |||

Nuclear Repulsion Energy | 175 | |||

HOMO-LUMO Energies | 169 | |||

Barriers to Internal Rotation | 0 | |||

Geometries | Cartesians | 158 | ||

Internal Coordinates | 0 | |||

Products of moments of inertia | 168 | |||

Rotational Constants | 173 | |||

Point Group | 173 | |||

Vibrations | Vibrational Frequencies | 171 | ||

Vibrational Intensities | 170 | |||

Zero-point energies | 171 | |||

Vibrational scaling factors | ||||

Anharmonic frequencies and constants | 2 | |||

Electronic States | Electronic states | x | 0 | |

Electrostatics | Atom charges | 146 | ||

Dipole | 148 | |||

Quadrupole | 143 | |||

Polarizability | 131 | |||

Other results | Spin | 0 | ||

Number of basis functions | 6 | |||

Diagnostics | 3 | |||

Conformations | 1 |