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

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

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

1 | Σ_{g} |
521 | -19 |
Σ_{g} |
540 | |

2 | Σ_{u} |
831 | 6 |
Σ_{u} |
825 | |

3 | Π_{u} |
109 | -56 |
Π_{u} |
165 |

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.