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Compare vibrational frequencies in CCCBDB for C2H4F2 (1,2-difluoroethane)

MP2=FULL/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 Ag 3125 2962   -12 Ag   2974  
2 Ag 1628 1543           
3 Ag 1509 1431           
4 Ag 1079 1023           
5 Ag 1063 1008   -44 Ag   1052  
6 Ag 440 417   -40 Ag   457  
7 Au 3193 3027           
8 Au 1263 1197           
9 Au 872 827           
10 Au 125 119   2 Au   117  
11 Bg 3167 3002           
12 Bg 1375 1304           
13 Bg 1210 1147           
14 Bu 3133 2970           
15 Bu 1642 1556           
16 Bu 1424 1350           
17 Bu 1097 1040           
18 Bu 236 224   -71 Bu   295  
The calculated vibrational frequencies were scaled by 0.948

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.