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

Compare vibrational frequencies in CCCBDB for H2OH2O (water dimer)

B1B95/STO-3G

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A' 3404 -331 A' 3735  
2 A' 3296 -364 A' 3660  
3 A' 3171 -430 A' 3601  
4 A' 1827 211 A' 1616  
5 A' 1758 159 A' 1599  
6 A' 546 235 A' 311  
7 A' 339 196 A' 143  
8 A' 289 186 A' 103  
9 A" 3495 -250 A" 3745  
10 A" 817 294 A" 523  
11 A" 337 229 A" 108  
12 A" 109 21 A" 88  
The calculated vibrational frequencies were scaled by 0.883

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.