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

Other names |
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1,1,2,2-Tetrachloroethene; 1,1,2,2-Tetrachloroethylene; Ankilostin; Antisal 1; Antisol 1; Carbon bichloride; Carbon dichloride; Czterochloroetylen; Didakene; Dilatin PT; Dow-per; ENT 1,860; Ethene, tetrachloro-; Ethylene tetrachloride; Ethylene, tetrachloro-; Fedal-Un; Freon 1110; NCI-C04580; Nema; Nema, veterinary; PER; Perawin; PERC; Perchloorethyleen, per; Perchlor; Perchloraethylen, per; Perchlorethylene; Perchlorethylene, per; Perchloroethylene; Perclene; Perclene D; Percloroetilene; Percosolve; Perk; Perklone; PerSec; Rcra waste number U210; Tetlen; Tetracap; Tetrachlooretheen; Tetrachloraethen; Tetrachlorethylene; Tetrachloroethane; Tetrachloroethene; Tetrachloroethylene; Tetrachloroethylene mos; Tetracloroetene; Tetraguer; Tetraleno; Tetralex; Tetravec; Tetroguer; Tetropil; UN 1897; perchloroethene; |

INChI |
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InChI=1/C2Cl4/c3-1(4)2(5)6 |

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 | x | |||

Energy 0K | 202 | |||

Energy 298.15K | 173 | |||

Atomization Enthalpy 298.15K | x | 167 | x | |

Atomization Enthalpy 0K | x | 171 | x | |

Entropy (298.15K) | x | 168 | x | |

Entropy at any temperature | 168 | |||

Integrated Heat Capacity | x | 168 | x | |

Heat Capacity (Cp) | x | 168 | x | |

Nuclear Repulsion Energy | 184 | |||

HOMO-LUMO Energies | 176 | |||

Barriers to Internal Rotation | 0 | |||

Geometries | Cartesians | 165 | ||

Internal Coordinates | x | 165 | x | |

Products of moments of inertia | 175 | |||

Rotational Constants | 180 | |||

Point Group | 182 | |||

Vibrations | Vibrational Frequencies | x | 177 | x |

Vibrational Intensities | 176 | |||

Zero-point energies | x | 177 | x | |

Vibrational scaling factors | x | |||

Anharmonic frequencies and constants | 2 | |||

Electronic States | Electronic states | x | 0 | |

Electrostatics | Atom charges | 149 | ||

Dipole | x | 153 | x | |

Quadrupole | 147 | |||

Polarizability | 134 | |||

Other results | Spin | 0 | ||

Number of basis functions | 6 | |||

Diagnostics | 4 | |||

Conformations | 1 |