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Compare vibrational frequencies in CCCBDB for CH3CHFCH3 (2-Fluoropropane)

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' 3046 3041   45 A'   2996  
2 A' 3033 3027   38 A'   2989  
3 A' 2968 2962   8 A'   2954  
4 A' 2964 2959   27 A'   2932  
5 A' 1444 1441   -32 A'   1473  
6 A' 1425 1422   -43 A'   1465  
7 A' 1355 1352   -50 A'   1402  
8 A' 1292 1290   -48 A'   1338  
9 A' 1150 1148   -35 A'   1183  
10 A' 1078 1076   -73 A'   1149  
11 A' 879 877   -41 A'   918  
12 A' 772 771   -46 A'   817  
13 A' 458 458   -22 A'   480  
14 A' 345 344   -13 A'   357  
15 A' 238 237   -25 A'   262  
16 A" 3044 3038   42 A"   2996  
17 A" 3026 3020   31 A"   2989  
18 A" 2959 2953   21 A"   2932  
19 A" 1420 1417   -31 A"   1448  
20 A" 1414 1412   -38 A"   1450  
21 A" 1348 1346   -39 A"   1385  
22 A" 1319 1316   -29 A"   1345  
23 A" 1119 1117   13 A"   1104  
24 A" 907 906   -35 A"   941  
25 A" 894 892   -36 A"   928  
26 A" 389 389   -26 A"   415  
27 A" 195 195   -48 A"   243  
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.