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

Compare vibrational frequencies in CCCBDB for H2OH2O (water dimer)

BLYP/STO-3G

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A' 3286 -449 A' 3735  
2 A' 3201 -459 A' 3660  
3 A' 3038 -563 A' 3601  
4 A' 1855 239 A' 1616  
5 A' 1785 186 A' 1599  
6 A' 596 285 A' 311  
7 A' 376 233 A' 143  
8 A' 316 213 A' 103  
9 A" 3398 -347 A" 3745  
10 A" 873 350 A" 523  
11 A" 358 250 A" 108  
12 A" 101 13 A" 88  
The calculated vibrational frequencies were scaled by 0.9252

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.