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

AM1

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' 3165 3018   22 A'   2996  
2 A' 3080 2937   -52 A'   2989  
3 A' 3075 2932   -22 A'   2954  
4 A' 2998 2858   -74 A'   2932  
5 A' 1498 1429   -44 A'   1473  
6 A' 1432 1366   -99 A'   1465  
7 A' 1396 1331   -71 A'   1402  
8 A' 1386 1322   -16 A'   1338  
9 A' 1316 1255   72 A'   1183  
10 A' 1198 1142   -7 A'   1149  
11 A' 1045 997   79 A'   918  
12 A' 1004 958   141 A'   817  
13 A' 534 509   29 A'   480  
14 A' 389 371   14 A'   357  
15 A' 156 148   -114 A'   262  
16 A" 3165 3018   22 A"   2996  
17 A" 3079 2936   -53 A"   2989  
18 A" 3072 2929   -3 A"   2932  
19 A" 1419 1353   -95 A"   1448  
20 A" 1392 1327   -123 A"   1450  
21 A" 1383 1319   -66 A"   1385  
22 A" 1354 1291   -54 A"   1345  
23 A" 1198 1143   39 A"   1104  
24 A" 1018 971   30 A"   941  
25 A" 969 924   -4 A"   928  
26 A" 470 448   33 A"   415  
27 A" 122 116   -127 A"   243  
The calculated vibrational frequencies were scaled by 0.9535

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.