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

Other names |
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(E)-Difluorodiazene; (E)-N2F2; Difluorodiazene, (E)-; Dinitrogen difluoride, (E)-; FNNF; Nitrogen fluoride (N2F2), (E)-; Nitrogen fluoride, trans; trans-1,2-Difluorodiazene; trans-1,2-Difluorodiimide; trans-Difluorodiazene; (E)-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 | 257 | |||

Energy 298.15K | 231 | |||

Atomization Enthalpy 298.15K | x | 224 | x | |

Atomization Enthalpy 0K | x | 224 | x | |

Entropy (298.15K) | x | 195 | x | |

Entropy at any temperature | 195 | |||

Integrated Heat Capacity | x | 195 | x | |

Heat Capacity (Cp) | x | 195 | x | |

Nuclear Repulsion Energy | 214 | |||

HOMO-LUMO Energies | 207 | |||

Barriers to Internal Rotation | 0 | |||

Geometries | Cartesians | 184 | ||

Internal Coordinates | 184 | |||

Products of moments of inertia | 200 | |||

Rotational Constants | 205 | |||

Point Group | 207 | |||

Vibrations | Vibrational Frequencies | x | 202 | x |

Vibrational Intensities | 196 | |||

Zero-point energies | x | 202 | x | |

Vibrational scaling factors | x | |||

Anharmonic frequencies and constants | 2 | |||

Electronic States | Electronic states | x | 0 | |

Electrostatics | Atom charges | 165 | ||

Dipole | 164 | |||

Quadrupole | 156 | |||

Polarizability | 143 | |||

Other results | Spin | 0 | ||

Number of basis functions | 6 | |||

Diagnostics | 5 | |||

Conformations | 1 |