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

Compare vibrational frequencies in CCCBDB for P2H4 (H2PPH2)

HF/STO-3G

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A 2510 214 A 2296  
2 A 2481 200 A 2281  
3 A 1247 198 A 1049  
4 A 938 157 A 781  
5 A 757 104 A 653  
6 A 515 78 A 437  
7 A 136 -33 A 169  
8 B 2513 217 B 2296  
9 B 2478 197 B 2281  
10 B 1237 184 B 1053  
11 B 899 21 B 878  
12 B 715 79 B 636  
The calculated vibrational frequencies were scaled by 0.8165

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.