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

Compare vibrational frequencies in CCCBDB for H2OH2O (water dimer)

B3PW91/STO-3G

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A' 3378 -357 A' 3735  
2 A' 3278 -382 A' 3660  
3 A' 3138 -463 A' 3601  
4 A' 1831 215 A' 1616  
5 A' 1759 160 A' 1599  
6 A' 564 253 A' 311  
7 A' 352 209 A' 143  
8 A' 299 196 A' 103  
9 A" 3475 -270 A" 3745  
10 A" 841 318 A" 523  
11 A" 344 236 A" 108  
12 A" 106 18 A" 88  
The calculated vibrational frequencies were scaled by 0.885

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.