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Compare vibrational frequencies in CCCBDB for C5H8 (Cyclopentene)

BLYP/6-31G(2df,p)

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' 3123 3106   40 A'   3066  
2 A' 3023 3006   48 A'   2958  
3 A' 2984 2968   52 A'   2916  
4 A' 2961 2945   43 A'   2902  
5 A' 2922 2906   54 A'   2852  
6 A' 1625 1616   0 A'   1616  
7 A' 1467 1459   -8 A'   1467  
8 A' 1445 1437   -12 A'   1449  
9 A' 1284 1277   -25 A'   1302  
10 A' 1193 1187   -97 A'   1284  
11 A' 1102 1096   -117 A'   1213  
12 A' 1041 1035   -13 A'   1048  
13 A' 945 939   -25 A'   964  
14 A' 873 868   -94 A'   962  
15 A' 792 788   -116 A'   904  
16 A' 697 694   2 A'   692  
17 A' 605 601   -2 A'   603  
18 A' 124 123   -131 A'   254  
19 A" 3098 3080   41 A"   3039  
20 A" 2966 2950   -17 A"   2967  
21 A" 2922 2906   -21 A"   2927  
22 A" 1448 1440   -27 A"   1467  
23 A" 1339 1332   -100 A"   1432  
24 A" 1278 1271   -85 A"   1356  
25 A" 1267 1260   -42 A"   1302  
26 A" 1186 1179   -118 A"   1297  
27 A" 1113 1107   -100 A"   1207  
28 A" 1002 997   -116 A"   1113  
29 A" 936 931   -151 A"   1082  
30 A" 892 887   -50 A"   937  
31 A" 865 861   61 A"   800  
32 A" 759 754   52 A"   702  
33 A" 378 376   -11 A"   387  
The calculated vibrational frequencies were scaled by 0.9945

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.