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

Compare vibrational frequencies in CCCBDB for C2Cl4 (Tetrachloroethylene)

BLYP/aug-cc-pVDZ

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 Ag 1547 -24 Ag 1571  
2 Ag 422 -25 Ag 447  
3 Ag 226 -11 Ag 237  
4 Au 90 -20 Au 110  
5 B1u 725 -52 B1u 777  
6 B1u 298 -12 B1u 310  
7 B2g 495 -17 B2g 512  
8 B2u 820 -88 B2u 908  
9 B2u 167 -9 B2u 176  
10 B3g 886 -114 B3g 1000  
11 B3g 325 -22 B3g 347  
12 B3u 276 -12 B3u 288  
The calculated vibrational frequencies were scaled by 0.9981

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.