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Compare vibrational frequencies in CCCBDB for C5H8 (Cyclopentene)

wB97X-D/cc-pVTZ

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' 3221 3079   13 A'   3066  
2 A' 3132 2994   36 A'   2958  
3 A' 3096 2960   44 A'   2916  
4 A' 3073 2938   36 A'   2902  
5 A' 3041 2907   55 A'   2852  
6 A' 1711 1636   20 A'   1616  
7 A' 1522 1455   -12 A'   1467  
8 A' 1495 1429   -20 A'   1449  
9 A' 1340 1281   -21 A'   1302  
10 A' 1241 1187   -97 A'   1284  
11 A' 1126 1077   -136 A'   1213  
12 A' 1080 1033   -15 A'   1048  
13 A' 985 941   -23 A'   964  
14 A' 920 879   -83 A'   962  
15 A' 836 799   -105 A'   904  
16 A' 725 693   1 A'   692  
17 A' 622 594   -9 A'   603  
18 A' 160 153   -101 A'   254  
19 A" 3195 3054   15 A"   3039  
20 A" 3090 2954   -13 A"   2967  
21 A" 3043 2909   -18 A"   2927  
22 A" 1500 1434   -33 A"   1467  
23 A" 1384 1323   -109 A"   1432  
24 A" 1322 1264   -92 A"   1356  
25 A" 1313 1255   -47 A"   1302  
26 A" 1234 1180   -117 A"   1297  
27 A" 1162 1111   -96 A"   1207  
28 A" 1052 1006   -107 A"   1113  
29 A" 998 954   -128 A"   1082  
30 A" 925 884   -53 A"   937  
31 A" 903 863   63 A"   800  
32 A" 787 752   50 A"   702  
33 A" 397 379   -8 A"   387  
The calculated vibrational frequencies were scaled by 0.956

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.