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Compare vibrational frequencies in CCCBDB for C5H8 (Cyclopentene)

PBEPBE/6-31+G**

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' 3147 3111   45 A'   3066  
2 A' 3049 3014   56 A'   2958  
3 A' 3008 2974   58 A'   2916  
4 A' 2988 2954   52 A'   2902  
5 A' 2942 2908   56 A'   2852  
6 A' 1631 1613   -3 A'   1616  
7 A' 1457 1441   -26 A'   1467  
8 A' 1431 1415   -34 A'   1449  
9 A' 1283 1268   -34 A'   1302  
10 A' 1188 1174   -110 A'   1284  
11 A' 1093 1081   -132 A'   1213  
12 A' 1029 1017   -31 A'   1048  
13 A' 961 950   -14 A'   964  
14 A' 892 882   -80 A'   962  
15 A' 802 793   -111 A'   904  
16 A' 687 679   -13 A'   692  
17 A' 585 579   -24 A'   603  
18 A' 148 147   -107 A'   254  
19 A" 3122 3086   47 A"   3039  
20 A" 3001 2967   -0 A"   2967  
21 A" 2943 2910   -17 A"   2927  
22 A" 1437 1420   -47 A"   1467  
23 A" 1336 1321   -111 A"   1432  
24 A" 1278 1263   -93 A"   1356  
25 A" 1257 1243   -59 A"   1302  
26 A" 1183 1169   -128 A"   1297  
27 A" 1110 1097   -110 A"   1207  
28 A" 1018 1007   -106 A"   1113  
29 A" 923 912   -170 A"   1082  
30 A" 902 892   -45 A"   937  
31 A" 869 859   59 A"   800  
32 A" 755 747   45 A"   702  
33 A" 381 377   -10 A"   387  
The calculated vibrational frequencies were scaled by 0.9886

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.