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

Compare vibrational frequencies in CCCBDB for H2OH2O (water dimer)

CCSD(T)/aug-cc-pVTZ

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A' 3793 58 A' 3735  
2 A 3709 49 A' 3660  
3 A' 3637 36 A' 3601  
4 A 1625 9 A' 1616  
5 A' 1605 6 A' 1599  
6 A 352 41 A' 311  
7 A' 180 37 A' 143  
8 A 153 50 A' 103  
9 A" 3812 67 A" 3745  
10 A 606 83 A" 523  
11 A" 139 31 A" 108  
12 A 129 41 A" 88  
The calculated vibrational frequencies were scaled by 0.9747

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.