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Compare vibrational frequencies in CCCBDB for C5H8 (Cyclopentene)

CCD/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' 3289 3084   18 A'   3066  
2 A' 3192 2993   35 A'   2958  
3 A' 3158 2961   45 A'   2916  
4 A' 3133 2938   36 A'   2902  
5 A' 3102 2908   56 A'   2852  
6 A' 1734 1626   10 A'   1616  
7 A' 1573 1475   8 A'   1467  
8 A' 1546 1450   1 A'   1449  
9 A' 1389 1302   -0 A'   1302  
10 A' 1276 1196   -88 A'   1284  
11 A' 1165 1092   -121 A'   1213  
12 A' 1106 1037   -11 A'   1048  
13 A' 1007 944   -20 A'   964  
14 A' 940 882   -80 A'   962  
15 A' 856 803   -101 A'   904  
16 A' 730 685   -7 A'   692  
17 A' 614 575   -28 A'   603  
18 A' 169 158   -96 A'   254  
19 A" 3264 3060   21 A"   3039  
20 A" 3156 2959   -8 A"   2967  
21 A" 3102 2908   -19 A"   2927  
22 A" 1556 1459   -8 A"   1467  
23 A" 1432 1343   -89 A"   1432  
24 A" 1380 1293   -63 A"   1356  
25 A" 1354 1269   -33 A"   1302  
26 A" 1269 1190   -107 A"   1297  
27 A" 1187 1112   -95 A"   1207  
28 A" 1078 1011   -102 A"   1113  
29 A" 975 914   -168 A"   1082  
30 A" 950 891   -46 A"   937  
31 A" 924 866   66 A"   800  
32 A" 790 741   39 A"   702  
33 A" 392 368   -19 A"   387  
The calculated vibrational frequencies were scaled by 0.9376

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.