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

HF/6-31G(2df,p)

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 4186 3791   116 A   3675  
2 A 3372 3053   -49 A   3102  
3 A 3312 2999   -23 A   3022  
4 A 3288 2977   -18 A   2995  
5 A 3170 2870   -64 A   2934  
6 A 3126 2830   -36 A   2866  
7 A 1870 1694   40 A   1654  
8 A 1642 1487   34 A   1453  
9 A 1604 1452   38 A   1414  
10 A 1546 1400   17 A   1384  
11 A 1417 1283   -37 A   1320  
12 A 1382 1251   -42 A   1293  
13 A 1349 1221   30 A   1191  
14 A 1253 1134   3 A   1132  
15 A 1188 1075   -35 A   1110  
16 A 1138 1031   -7 A   1038  
17 A 1080 978   -17 A   995  
18 A 1049 950   30 A   919  
19 A 977 885   -0 A   885  
20 A 710 643   37 A   606  
21 A 478 433           
22 A 358 324   -54 A   377  
23 A 277 251   -26 A   277  
24 A 124 112   -76 A   188  
The calculated vibrational frequencies were scaled by 0.9055

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.