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

Other names |
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1,1-Difluoroethane; Algofrene Type 67; Difluoroethane; Dymel 152; Ethane, 1,1-difluoro-; Ethylene fluoride; Ethylidene difluoride; Ethylidene fluoride; FC 152a; Freon 152; Freon 152a; GENETRON 100; Genetron 152a; Halocarbon 152A; Propellant 152a; R 152a; UN 1030; |

INChI |
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InChI=1/C2H4F2/c1-2(3)4/h2H,1H3 |

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 | 257 | |||

Energy 298.15K | 225 | |||

Atomization Enthalpy 298.15K | x | 218 | x | |

Atomization Enthalpy 0K | x | 219 | x | |

Entropy (298.15K) | x | 188 | x | |

Entropy at any temperature | 188 | |||

Integrated Heat Capacity | x | 188 | x | |

Heat Capacity (Cp) | x | 188 | x | |

Nuclear Repulsion Energy | 217 | |||

HOMO-LUMO Energies | 210 | |||

Barriers to Internal Rotation | x | 14 | x | |

Geometries | Cartesians | x | 186 | |

Internal Coordinates | x | 186 | x | |

Products of moments of inertia | x | 203 | x | |

Rotational Constants | x | 208 | x | |

Point Group | 208 | |||

Vibrations | Vibrational Frequencies | x | 206 | x |

Vibrational Intensities | 204 | |||

Zero-point energies | 206 | |||

Vibrational scaling factors | ||||

Anharmonic frequencies and constants | 2 | |||

Electronic States | Electronic states | x | 0 | |

Electrostatics | Atom charges | 167 | ||

Dipole | x | 170 | x | |

Quadrupole | x | 163 | x | |

Polarizability | 144 | |||

Other results | Spin | 0 | ||

Number of basis functions | 6 | |||

Diagnostics | 5 | |||

Conformations | 1 |