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

Other names |
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(Z)-Difluorodiazene; cis-1,2-Difluorodiimide; cis-Difluorodiazene; FNNF; Nitrogen fluoride (N2F2), (Z)-; Nitrogen fluoride, cis; (Z)-1,2-difluorodiazene; |

INChI |
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InChI=1/F2N2/c1-3-4-2/b4-3- |

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 | 258 | |||

Energy 298.15K | 228 | |||

Atomization Enthalpy 298.15K | x | 222 | x | |

Atomization Enthalpy 0K | x | 222 | x | |

Entropy (298.15K) | x | 192 | x | |

Entropy at any temperature | 192 | |||

Integrated Heat Capacity | x | 192 | x | |

Heat Capacity (Cp) | x | 192 | x | |

Nuclear Repulsion Energy | 216 | |||

HOMO-LUMO Energies | 211 | |||

Barriers to Internal Rotation | 9 | |||

Geometries | Cartesians | x | 188 | |

Internal Coordinates | x | 188 | x | |

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

Rotational Constants | x | 208 | x | |

Point Group | 208 | |||

Vibrations | Vibrational Frequencies | 206 | ||

Vibrational Intensities | 200 | |||

Zero-point energies | 206 | |||

Vibrational scaling factors | ||||

Anharmonic frequencies and constants | 2 | |||

Electronic States | Electronic states | x | 0 | |

Electrostatics | Atom charges | 165 | ||

Dipole | x | 168 | x | |

Quadrupole | 160 | |||

Polarizability | 143 | |||

Other results | Spin | 0 | ||

Number of basis functions | 6 | |||

Diagnostics | 5 | |||

Conformations | 1 |