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

# Compare vibrational frequencies in CCCBDB for C_{3} (carbon trimer)

### HF/CEP-31G

Frequency in cm^{-1}

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

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

1 | Σ_{g} |
1190 | -35 |
Σ_{g} |
1225 | |

2 | Σ_{u} |
2059 | 19 |
Σ_{u} |
2040 | |

3 | Π_{u} |
335 | 271 |
Π_{u} |
63 |

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.