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Compare vibrational frequencies in CCCBDB for C5H8 (Cyclopentene)

B3LYP/3-21G

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' 3228 3114   48 A'   3066  
2 A' 3134 3024   66 A'   2958  
3 A' 3093 2984   68 A'   2916  
4 A' 3074 2966   64 A'   2902  
5 A' 3038 2931   79 A'   2852  
6 A' 1686 1626   10 A'   1616  
7 A' 1560 1505   38 A'   1467  
8 A' 1538 1484   35 A'   1449  
9 A' 1335 1288   -14 A'   1302  
10 A' 1271 1226   -58 A'   1284  
11 A' 1165 1124   -89 A'   1213  
12 A' 1085 1047   -1 A'   1048  
13 A' 963 929   -35 A'   964  
14 A' 890 858   -104 A'   962  
15 A' 824 795   -109 A'   904  
16 A' 728 702   10 A'   692  
17 A' 633 611   8 A'   603  
18 A' 120 115   -139 A'   254  
19 A" 3199 3087   48 A"   3039  
20 A" 3082 2974   7 A"   2967  
21 A" 3038 2931   4 A"   2927  
22 A" 1543 1489   22 A"   1467  
23 A" 1396 1347   -85 A"   1432  
24 A" 1358 1310   -46 A"   1356  
25 A" 1338 1291   -11 A"   1302  
26 A" 1244 1200   -97 A"   1297  
27 A" 1202 1160   -47 A"   1207  
28 A" 1032 996   -117 A"   1113  
29 A" 993 958   -124 A"   1082  
30 A" 920 888   -49 A"   937  
31 A" 888 857   57 A"   800  
32 A" 797 769   67 A"   702  
33 A" 388 374   -13 A"   387  
The calculated vibrational frequencies were scaled by 0.9649

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.