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

# All data (experiment and calculated) in the CCCBDB for HNO (Nitrosyl hydride)

Other names |
---|

Nitrosyl hydride; |

INChI |
---|

InChI=1S/HNO/c1-2/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 | x | ||

Enthalpy 0K | x | |||

Energy 0K | 336 | |||

Energy 298.15K | 268 | |||

Atomization Enthalpy 298.15K | x | 262 | x | |

Atomization Enthalpy 0K | x | 263 | x | |

Entropy (298.15K) | x | 226 | x | |

Entropy at any temperature | 226 | |||

Integrated Heat Capacity | x | 226 | x | |

Heat Capacity (Cp) | x | 226 | x | |

Nuclear Repulsion Energy | 287 | |||

HOMO-LUMO Energies | 279 | |||

Barriers to Internal Rotation | 0 | |||

Geometries | Cartesians | x | 243 | |

Internal Coordinates | x | 243 | x | |

Products of moments of inertia | x | 264 | x | |

Rotational Constants | x | 268 | x | |

Point Group | 269 | |||

Vibrations | Vibrational Frequencies | x | 798 | x |

Vibrational Intensities | 264 | |||

Zero-point energies | x | 266 | x | |

Vibrational scaling factors | x | |||

Anharmonic frequencies and constants | 1 | |||

Electronic States | Electronic states | x | 0 | |

Electrostatics | Atom charges | 178 | ||

Dipole | x | 208 | x | |

Quadrupole | 190 | |||

Polarizability | 176 | |||

Other results | Spin | 10 | ||

Number of basis functions | 13 | |||

Conformations | 1 |