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

wB97X-D/TZVP

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' 3152 3010   14 A'   2996  
2 A' 3145 3004   15 A'   2989  
3 A' 3070 2932   -22 A'   2954  
4 A' 3064 2926   -6 A'   2932  
5 A' 1518 1450   -23 A'   1473  
6 A' 1493 1426   -39 A'   1465  
7 A' 1429 1365   -37 A'   1402  
8 A' 1385 1323   -15 A'   1338  
9 A' 1209 1154   -29 A'   1183  
10 A' 1167 1115   -34 A'   1149  
11 A' 958 914   -4 A'   918  
12 A' 833 796   -21 A'   817  
13 A' 492 470   -10 A'   480  
14 A' 363 347   -10 A'   357  
15 A' 252 241   -21 A'   262  
16 A" 3149 3007   11 A"   2996  
17 A" 3139 2997   8 A"   2989  
18 A" 3060 2923   -9 A"   2932  
19 A" 1493 1426   -22 A"   1448  
20 A" 1483 1416   -34 A"   1450  
21 A" 1427 1363   -22 A"   1385  
22 A" 1384 1322   -23 A"   1345  
23 A" 1174 1121   17 A"   1104  
24 A" 957 914   -27 A"   941  
25 A" 939 897   -31 A"   928  
26 A" 419 400   -15 A"   415  
27 A" 198 189   -54 A"   243  
The calculated vibrational frequencies were scaled by 0.955

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.