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Compare vibrational frequencies in CCCBDB for C3H6O (2-Propen-1-ol)

MP2=FULL/6-31+G**

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 3875 3639   -36 A   3675  
2 A 3337 3134   32 A   3102  
3 A 3257 3059   37 A   3022  
4 A 3233 3037   42 A   2995  
5 A 3139 2949   15 A   2934  
6 A 3083 2896   30 A   2866  
7 A 1731 1626   -28 A   1654  
8 A 1563 1468   15 A   1453  
9 A 1508 1416   2 A   1414  
10 A 1446 1358   -26 A   1384  
11 A 1336 1255   -65 A   1320  
12 A 1299 1220   -73 A   1293  
13 A 1242 1167   -25 A   1191  
14 A 1187 1115   -17 A   1132  
15 A 1071 1006   -104 A   1110  
16 A 1030 967   -70 A   1038  
17 A 985 925   -70 A   995  
18 A 945 888   -32 A   919  
19 A 941 884   -1 A   885  
20 A 664 623   18 A   606  
21 A 448 421           
22 A 345 324   -54 A   377  
23 A 263 247   -30 A   277  
24 A 113 106   -82 A   188  
The calculated vibrational frequencies were scaled by 0.9392

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.