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

# Compare vibrational frequencies in CCCBDB for ZnCH_{3} (Zinc monomethyl)

### MP2=FULL/6-31G*

Frequency in cm^{-1}

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

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

1 | A_{1} |
2927 | ||||

2 | A_{1} |
1197 | 133 |
A_{1} |
1064 | |

3 | A_{1} |
511 | 66 |
A_{1} |
445 | |

4 | E | 3019 | ||||

5 | E | 1406 | ||||

6 | E | 614 | 299 | E | 315 | Tentative |

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.