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

Compare vibrational frequencies in CCCBDB for P2H4 (H2PPH2)

LSDA/STO-3G

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A 2477 181 A 2296  
2 A 2438 157 A 2281  
3 A 1212 163 A 1049  
4 A 927 146 A 781  
5 A 736 83 A 653  
6 A 492 55 A 437  
7 A 87 -82 A 169  
8 B 2479 183 B 2296  
9 B 2431 150 B 2281  
10 B 1204 151 B 1053  
11 B 851 -27 B 878  
12 B 704 68 B 636  
The calculated vibrational frequencies were scaled by 0.8955

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.