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Compare vibrational frequencies in CCCBDB for C5H8 (Cyclopentene)

wB97X-D/cc-pVDZ

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' 3237 3084   18 A'   3066  
2 A' 3145 2996   38 A'   2958  
3 A' 3108 2961   45 A'   2916  
4 A' 3084 2937   35 A'   2902  
5 A' 3047 2903   51 A'   2852  
6 A' 1716 1635   19 A'   1616  
7 A' 1526 1453   -14 A'   1467  
8 A' 1495 1424   -25 A'   1449  
9 A' 1344 1280   -22 A'   1302  
10 A' 1240 1181   -103 A'   1284  
11 A' 1129 1075   -138 A'   1213  
12 A' 1079 1028   -20 A'   1048  
13 A' 987 940   -24 A'   964  
14 A' 920 876   -86 A'   962  
15 A' 838 798   -106 A'   904  
16 A' 722 687   -5 A'   692  
17 A' 616 587   -16 A'   603  
18 A' 163 155   -99 A'   254  
19 A" 3212 3060   21 A"   3039  
20 A" 3104 2957   -10 A"   2967  
21 A" 3049 2904   -23 A"   2927  
22 A" 1501 1430   -37 A"   1467  
23 A" 1387 1321   -111 A"   1432  
24 A" 1329 1266   -90 A"   1356  
25 A" 1310 1248   -54 A"   1302  
26 A" 1235 1176   -121 A"   1297  
27 A" 1160 1105   -102 A"   1207  
28 A" 1054 1004   -109 A"   1113  
29 A" 985 939   -143 A"   1082  
30 A" 928 884   -53 A"   937  
31 A" 903 860   60 A"   800  
32 A" 782 745   43 A"   702  
33 A" 394 376   -11 A"   387  
The calculated vibrational frequencies were scaled by 0.9526

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.