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

wB97X-D/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' 3159 3009   13 A'   2996  
2 A' 3153 3003   14 A'   2989  
3 A' 3061 2916   -38 A'   2954  
4 A' 3054 2909   -23 A'   2932  
5 A' 1493 1422   -51 A'   1473  
6 A' 1465 1395   -70 A'   1465  
7 A' 1406 1339   -63 A'   1402  
8 A' 1364 1299   -39 A'   1338  
9 A' 1198 1142   -41 A'   1183  
10 A' 1162 1107   -42 A'   1149  
11 A' 966 920   2 A'   918  
12 A' 838 798   -19 A'   817  
13 A' 485 462   -18 A'   480  
14 A' 357 340   -17 A'   357  
15 A' 253 241   -21 A'   262  
16 A" 3157 3008   12 A"   2996  
17 A" 3147 2997   8 A"   2989  
18 A" 3057 2912   -20 A"   2932  
19 A" 1466 1396   -52 A"   1448  
20 A" 1459 1390   -60 A"   1450  
21 A" 1413 1346   -39 A"   1385  
22 A" 1362 1298   -47 A"   1345  
23 A" 1173 1117   13 A"   1104  
24 A" 945 901   -40 A"   941  
25 A" 929 885   -43 A"   928  
26 A" 411 392   -23 A"   415  
27 A" 201 192   -51 A"   243  
The calculated vibrational frequencies were scaled by 0.9526

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.