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

Compare vibrational frequencies in CCCBDB for P2H4 (H2PPH2)

PBEPBE/STO-3G

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A 2481 185 A 2296  
2 A 2442 161 A 2281  
3 A 1237 188 A 1049  
4 A 940 159 A 781  
5 A 750 97 A 653  
6 A 487 50 A 437  
7 A 105 -64 A 169  
8 B 2483 187 B 2296  
9 B 2435 154 B 2281  
10 B 1229 176 B 1053  
11 B 864 -14 B 878  
12 B 713 77 B 636  
The calculated vibrational frequencies were scaled by 0.9136

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.