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

Compare vibrational frequencies in CCCBDB for C2Cl4 (Tetrachloroethylene)

BLYP/cc-pVDZ

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 Ag 1551 -20 Ag 1571  
2 Ag 423 -24 Ag 447  
3 Ag 228 -9 Ag 237  
4 Au 92 -18 Au 110  
5 B1u 727 -50 B1u 777  
6 B1u 299 -11 B1u 310  
7 B2g 479 -33 B2g 512  
8 B2u 828 -80 B2u 908  
9 B2u 169 -7 B2u 176  
10 B3g 905 -95 B3g 1000  
11 B3g 328 -19 B3g 347  
12 B3u 275 -13 B3u 288  
The calculated vibrational frequencies were scaled by 1.0016

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.