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Compare vibrational frequencies in CCCBDB for C5H8 (Cyclopentene)

CCD/6-311G*

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' 3215 3070   4 A'   3066  
2 A' 3123 2983   25 A'   2958  
3 A' 3092 2953   37 A'   2916  
4 A' 3066 2928   26 A'   2902  
5 A' 3035 2899   47 A'   2852  
6 A' 1701 1625   9 A'   1616  
7 A' 1546 1477   10 A'   1467  
8 A' 1521 1453   4 A'   1449  
9 A' 1364 1303   1 A'   1302  
10 A' 1263 1207   -77 A'   1284  
11 A' 1142 1091   -122 A'   1213  
12 A' 1090 1041   -7 A'   1048  
13 A' 996 951   -13 A'   964  
14 A' 933 891   -71 A'   962  
15 A' 844 806   -98 A'   904  
16 A' 717 685   -7 A'   692  
17 A' 606 579   -24 A'   603  
18 A' 171 163   -91 A'   254  
19 A" 3189 3046   7 A"   3039  
20 A" 3090 2951   -16 A"   2967  
21 A" 3037 2901   -26 A"   2927  
22 A" 1527 1459   -8 A"   1467  
23 A" 1402 1339   -93 A"   1432  
24 A" 1360 1299   -57 A"   1356  
25 A" 1329 1269   -33 A"   1302  
26 A" 1252 1196   -101 A"   1297  
27 A" 1179 1126   -81 A"   1207  
28 A" 1067 1019   -94 A"   1113  
29 A" 954 911   -171 A"   1082  
30 A" 935 893   -44 A"   937  
31 A" 911 871   71 A"   800  
32 A" 785 750   48 A"   702  
33 A" 393 375   -12 A"   387  
The calculated vibrational frequencies were scaled by 0.9551

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.