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

Compare vibrational frequencies in CCCBDB for H2OH2O (water dimer)

CCSD(T)/cc-pVDZ

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A' 3820 85 A' 3735  
2 A' 3733 73 A' 3660  
3 A' 3701 100 A' 3601  
4 A' 1687 71 A' 1616  
5 A' 1649 50 A' 1599  
6 A' 387 76 A' 311  
7 A' 187 44 A' 143  
8 A' 150 47 A' 103  
9 A" 3832 87 A" 3745  
10 A" 636 113 A" 523  
11 A" 173 65 A" 108  
12 A" 81 -7 A" 88  
The calculated vibrational frequencies were scaled by 0.9788

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.