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

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

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

1 | Σ_{g} |
1112 | -221 |
Σ_{g} |
1333 | |

2 | Σ_{u} |
2265 | -84 |
Σ_{u} |
2349 | |

3 | Π_{u} |
417 | -250 |
Π_{u} |
667 |

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.