## IV.C.1. (XIII.D.1.) |

# Compare vibrational frequencies in CCCBDB for C_{2}F_{2} (difluoroacetylene)

### HF/3-21G

Frequency in cm^{-1}

Calculated | Experimental | |||||
---|---|---|---|---|---|---|

Mode Number | Symmetry | Frequency | diff | Symmetry | Frequency | Comment |

1 | Σ_{g} |
2549 | 113 |
Σ_{g} |
2436 | |

2 | Σ_{g} |
768 | -19 |
Σ_{g} |
787 | |

3 | Σ_{u} |
1338 | -12 |
Σ_{u} |
1350 | |

4 | Π_{g} |
462 | 192 |
Π_{g} |
270 | |

5 | Π_{u} |
295 | 27 |
Π_{u} |
268 |

See section **XIII.C.3** List or set vibrational scaling factors to change the scale factors used here.

See section **III.B.3.c** Calculate a vibrational scaling factor for a set of molecules to determine the least squares best scaling factor.

See section **III.B.3.b** List of vibrational scaling factors and their uncertainties for information on where the above scaling factor is from.