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Compare vibrational frequencies in CCCBDB for CH2FCH2Cl (Ethane, 1-chloro-2-fluoro-)

BLYP/aug-cc-pVDZ

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 A' 3024 3018   34 A'   2984  
2 A' 2993 2988   22 A'   2966  
3 A' 1444 1441   -26 A'   1467  
4 A' 1425 1422   -14 A'   1436  
5 A' 1333 1330   -67 A'   1397  
6 A' 1208 1206   -100 A'   1306  
7 A' 1034 1032   -58 A'   1090  
8 A' 940 938   -114 A'   1052  
9 A' 702 701   -78 A'   779  
10 A' 359 358   -25 A'   383  
11 A' 232 232   -13 A'   245  
12 A" 3095 3089   64 A"   3025  
13 A" 3052 3046   36 A"   3010  
14 A" 1238 1236   -22 A"   1258  
15 A" 1150 1148   -52 A"   1200  
16 A" 1005 1003   39 A"   964  
17 A" 766 765   -82 A"   847  
18 A" 114 114   -24 A"   138  
The calculated vibrational frequencies were scaled by 0.9981

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.