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Compare vibrational frequencies in CCCBDB for CH2FCH2CH3 (1-Fluoropropane)

G2

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' 3276 3276           
2 A' 3235 3235           
3 A' 3217 3217           
4 A' 3201 3201           
5 A' 1680 1680           
6 A' 1656 1656           
7 A' 1639 1639           
8 A' 1592 1592           
9 A' 1567 1567           
10 A' 1468 1468   6 A"   1462  
11 A' 1236 1236           
12 A' 1181 1181           
13 A' 1109 1109   -282 A'   1391  
14 A' 969 969           
15 A' 481 481   -820 A"   1301  
16 A' 291 291   -962 A"   1253  
17 A" 3288 3288           
18 A" 3261 3261   2151 A'   1110  
19 A" 3241 3241   2210 A'   1031  
20 A" 1645 1645   594 A'   1051  
21 A" 1440 1440   556 A'   884  
22 A" 1393 1393   503 A"   890  
23 A" 1312 1312           
24 A" 971 971   521 A'   450  
25 A" 822 822   552 A'   270  
26 A" 247 247   37 A"   210  
27 A" 141 141   12 A"   129  
The calculated vibrational frequencies were scaled by 1

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.