## III.G.7. (XIII.B.3.) (XIII.D.5.) |

# Compare vibrational frequencies for two calculations
for SF_{2}^{-} (sulfur difluoride anion)

### A =
HF/6-31G*

B =
MP2/6-31G*

scale factors=0.8985, 0.943
symmetry | frequency (cm^{-1}) |
reduced mass (amu) | IR Intensity (km mol^{-1}) |
||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|

mode number | A | B | A | B | diff. | ratio | A | B | diff. | ratio | A | B | diff. | ratio | |||

1 | A' | A' | 710 | 638 | 72.1 | 1.113 | 22.547 | 23.347 | -0.800 | 0.966 | 114.81 | 109.05 | 5.76 | 1.053 | |||

2 | A' | A' | 339 | 380 | -40.5 | 0.893 | 23.296 | 19.669 | 3.626 | 1.184 | 16.38 | 0.32 | 16.07 | 51.671 | |||

3 | A' | A' | 182 | 279 | -97.4 | 0.651 | 19.354 | 21.954 | -2.600 | 0.882 | 5.46 | 184.25 | -178.79 | 0.030 | |||

scaled by | 0.8985 | 0.943 |

See section **III.C.1** List or set vibrational scaling factors
to change the scale factors used here.

See section **III.C.2**
Calculate a vibrational scaling factor for a given set of molecules
to determine the least squares best scaling factor.