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

Compare vibrational frequencies in CCCBDB for P2H4 (H2PPH2)

B1B95/STO-3G

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A 2500 204 A 2296  
2 A 2464 183 A 2281  
3 A 1231 182 A 1049  
4 A 924 143 A 781  
5 A 741 88 A 653  
6 A 493 56 A 437  
7 A 109 -60 A 169  
8 B 2502 206 B 2296  
9 B 2459 178 B 2281  
10 B 1224 171 B 1053  
11 B 859 -19 B 878  
12 B 706 70 B 636  
The calculated vibrational frequencies were scaled by 0.883

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.