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

Compare vibrational frequencies in CCCBDB for H2OH2O (water dimer)

B1B95/cc-pVDZ

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A' 3745 10 A' 3735  
2 A 3598 -62 A' 3660  
3 A' 3584 -17 A' 3601  
4 A 711 -905 A' 1616  
5 A' 1593 -6 A' 1599  
6 A 193 -118 A' 311  
7 A' 191 48 A' 143  
8 A 3623 3520 A' 103  
9 A" 3769 24 A" 3745  
10 A 367 -156 A" 523  
11 A" 170 62 A" 108  
12 A 150 62 A" 88  
The calculated vibrational frequencies were scaled by 0.9612

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.