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

Compare vibrational frequencies in CCCBDB for H2OH2O (water dimer)

PBEPBE/STO-3G

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A' 3318 -417 A' 3735  
2 A' 3231 -429 A' 3660  
3 A' 3062 -539 A' 3601  
4 A' 1849 233 A' 1616  
5 A' 1775 176 A' 1599  
6 A' 608 297 A' 311  
7 A' 382 239 A' 143  
8 A' 319 216 A' 103  
9 A" 3426 -319 A" 3745  
10 A" 890 367 A" 523  
11 A" 363 255 A" 108  
12 A" 104 16 A" 88  
The calculated vibrational frequencies were scaled by 0.9136

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.