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Compare vibrational frequencies in CCCBDB for C5H8 (Cyclopentene)

PBEPBE/6-31G**

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' 3149 3106   40 A'   3066  
2 A' 3057 3015   57 A'   2958  
3 A' 3013 2971   55 A'   2916  
4 A' 2995 2954   52 A'   2902  
5 A' 2948 2908   56 A'   2852  
6 A' 1649 1626   10 A'   1616  
7 A' 1467 1447   -20 A'   1467  
8 A' 1442 1422   -27 A'   1449  
9 A' 1290 1272   -30 A'   1302  
10 A' 1193 1176   -108 A'   1284  
11 A' 1098 1083   -130 A'   1213  
12 A' 1033 1019   -29 A'   1048  
13 A' 965 951   -13 A'   964  
14 A' 896 883   -79 A'   962  
15 A' 802 791   -113 A'   904  
16 A' 692 683   -9 A'   692  
17 A' 590 582   -21 A'   603  
18 A' 142 140   -114 A'   254  
19 A" 3124 3081   42 A"   3039  
20 A" 3004 2963   -4 A"   2967  
21 A" 2949 2908   -19 A"   2927  
22 A" 1447 1427   -40 A"   1467  
23 A" 1345 1326   -106 A"   1432  
24 A" 1283 1266   -90 A"   1356  
25 A" 1261 1244   -58 A"   1302  
26 A" 1191 1175   -122 A"   1297  
27 A" 1114 1098   -109 A"   1207  
28 A" 1022 1008   -105 A"   1113  
29 A" 928 916   -166 A"   1082  
30 A" 906 894   -43 A"   937  
31 A" 872 860   60 A"   800  
32 A" 759 748   46 A"   702  
33 A" 379 374   -13 A"   387  
The calculated vibrational frequencies were scaled by 0.9863

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.