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

Compare vibrational frequencies in CCCBDB for H2OH2O (water dimer)

CCSD(T)/aug-cc-pVDZ

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A' 3805 70 A' 3735  
2 A' 3713 53 A' 3660  
3 A' 3645 44 A' 3601  
4 A' 1628 12 A' 1616  
5 A' 1610 11 A' 1599  
6 A' 350 39 A' 311  
7 A' 180 37 A' 143  
8 A' 145 42 A' 103  
9 A" 3824 79 A" 3745  
10 A" 619 96 A" 523  
11 A" 143 35 A" 108  
12 A" 129 41 A" 88  
The calculated vibrational frequencies were scaled by 0.9817

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.