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

Compare vibrational frequencies in CCCBDB for C2Cl4 (Tetrachloroethylene)

BLYP/6-311G**

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 Ag 1533 -38 Ag 1571  
2 Ag 419 -28 Ag 447  
3 Ag 234 -3 Ag 237  
4 Au 90 -20 Au 110  
5 B1u 720 -57 B1u 777  
6 B1u 305 -5 B1u 310  
7 B2g 499 -13 B2g 512  
8 B2u 805 -103 B2u 908  
9 B2u 174 -2 B2u 176  
10 B3g 887 -113 B3g 1000  
11 B3g 325 -22 B3g 347  
12 B3u 279 -9 B3u 288  
The calculated vibrational frequencies were scaled by 0.9961

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.