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

Other names |
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Dichlorotrifluoromethylmethane; Ethane, 2,2-dichloro-1,1,1-trifluoro-; 1,1,1-Trifluoro-2,2-dichloroethane; 2,2-Dichloro-1,1,1-trifluoroethane; Dichlorotrifluoroethane; Freon 123; HCFC-123; R 123; |

INChI |
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InChI=1S/C2HCl2F3/c3-1(4)2(5,6)7/h1H |

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 | |||

Enthalpy 0K | ||||

Energy 0K | 13 | |||

Energy 298.15K | 1 | |||

Atomization Enthalpy 298.15K | 0 | |||

Atomization Enthalpy 0K | 0 | |||

Entropy (298.15K) | 0 | |||

Entropy at any temperature | 0 | |||

Integrated Heat Capacity | 0 | |||

Heat Capacity (Cp) | 0 | |||

Nuclear Repulsion Energy | 13 | |||

HOMO-LUMO Energies | 13 | |||

Barriers to Internal Rotation | 0 | |||

Geometries | Cartesians | 13 | ||

Internal Coordinates | 12 | |||

Products of moments of inertia | 12 | |||

Rotational Constants | 13 | |||

Point Group | 14 | |||

Vibrations | Vibrational Frequencies | 12 | ||

Vibrational Intensities | 12 | |||

Zero-point energies | 12 | |||

Vibrational scaling factors | ||||

Anharmonic frequencies and constants | ||||

Electronic States | Electronic states | 0 | ||

Electrostatics | Atom charges | 7 | ||

Dipole | 8 | |||

Quadrupole | 5 | |||

Polarizability | 8 | |||

Other results | Spin | 0 | ||

Number of basis functions | 2 | |||

Diagnostics | 0 | |||

Conformations | 1 |