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

Compare vibrational frequencies in CCCBDB for P2H4 (H2PPH2)

B3LYP/SDD

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A 2194 -102 A 2296  
2 A 2180 -101 A 2281  
3 A 1100 51 A 1049  
4 A 828 47 A 781  
5 A 617 -36 A 653  
6 A 350 -87 A 437  
7 A 125 -44 A 169  
8 B 2203 -93 B 2296  
9 B 2163 -118 B 2281  
10 B 1095 42 B 1053  
11 B 764 -114 B 878  
12 B 612 -24 B 636  
The calculated vibrational frequencies were scaled by 0.9613

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.