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

Compare vibrational frequencies in CCCBDB for P2H4 (H2PPH2)

BLYP/STO-3G

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A 2474 178 A 2296  
2 A 2437 156 A 2281  
3 A 1257 208 A 1049  
4 A 944 163 A 781  
5 A 757 104 A 653  
6 A 475 38 A 437  
7 A 126 -43 A 169  
8 B 2476 180 B 2296  
9 B 2430 149 B 2281  
10 B 1250 197 B 1053  
11 B 871 -7 B 878  
12 B 717 81 B 636  
The calculated vibrational frequencies were scaled by 0.9252

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.