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

B2PLYP=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 3858 3669   -6 A   3675  
2 A 3280 3120   18 A   3102  
3 A 3208 3051   29 A   3022  
4 A 3187 3031   36 A   2995  
5 A 3077 2926   -8 A   2934  
6 A 3030 2882   16 A   2866  
7 A 1724 1639   -15 A   1654  
8 A 1538 1463   10 A   1453  
9 A 1490 1417   3 A   1414  
10 A 1433 1362   -21 A   1384  
11 A 1327 1262   -58 A   1320  
12 A 1287 1224   -69 A   1293  
13 A 1235 1175   -16 A   1191  
14 A 1174 1117   -15 A   1132  
15 A 1059 1008   -102 A   1110  
16 A 1030 979   -58 A   1038  
17 A 976 928   -67 A   995  
18 A 953 907   -13 A   919  
19 A 931 885   -0 A   885  
20 A 659 626   21 A   606  
21 A 447 425           
22 A 338 321   -56 A   377  
23 A 254 241   -36 A   277  
24 A 114 108   -80 A   188  
The calculated vibrational frequencies were scaled by 0.951

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.