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Compare vibrational frequencies in CCCBDB for PCl5 (Phosphorus pentachloride)

mPW1PW91/3-21G*

18 11 26 13 55
Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency Scaled
Frequency
Harm.
diff
Fund.
diff
Symmetry Harmonic
Frequency
Fundamental
Frequency
Comment
1 A1' 398 378   -16 A1'   394  
2 A1' 274 260   -4 A1'   264  
3 A2" 423 402   -63 A2"   465  
4 A2" 311 295   -4 A2"   299  
5 E' 590 560   -32 E'   592  
6 E' 590 560   -32 E'   592  
7 E' 276 262   -11 E'   273  
8 E' 92 87   -13 E'   100  
9 E" 270 257   -25 E"   282  
The calculated vibrational frequencies were scaled by 0.9496

See section Calculated; Vibrations; Scale Factors; Set scaling factors to change the scale factors used here.
See section Calculated; Vibrations; Scale Factors; Calculate a scale factor to determine the least squares best scaling factor.
See section Calculated; Vibrations; Scale Factors; Scale factor uncertainty for information on where the above scaling factor is from.