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Compare vibrational frequencies in CCCBDB for C5H8 (Cyclopentene)

B1B95/6-31G(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' 3224 3088   22 A'   3066  
2 A' 3131 2998   40 A'   2958  
3 A' 3089 2959   43 A'   2916  
4 A' 3069 2939   37 A'   2902  
5 A' 3025 2897   45 A'   2852  
6 A' 1707 1635   19 A'   1616  
7 A' 1497 1434   -33 A'   1467  
8 A' 1472 1410   -39 A'   1449  
9 A' 1330 1274   -28 A'   1302  
10 A' 1227 1175   -109 A'   1284  
11 A' 1126 1078   -135 A'   1213  
12 A' 1064 1019   -29 A'   1048  
13 A' 992 950   -14 A'   964  
14 A' 928 889   -73 A'   962  
15 A' 825 790   -114 A'   904  
16 A' 720 689   -3 A'   692  
17 A' 596 571   -32 A'   603  
18 A' 152 145   -109 A'   254  
19 A" 3198 3063   24 A"   3039  
20 A" 3082 2952   -15 A"   2967  
21 A" 3026 2898   -29 A"   2927  
22 A" 1479 1416   -51 A"   1467  
23 A" 1382 1323   -109 A"   1432  
24 A" 1322 1266   -90 A"   1356  
25 A" 1297 1242   -60 A"   1302  
26 A" 1225 1173   -124 A"   1297  
27 A" 1143 1095   -112 A"   1207  
28 A" 1052 1008   -105 A"   1113  
29 A" 978 936   -146 A"   1082  
30 A" 934 894   -43 A"   937  
31 A" 894 856   56 A"   800  
32 A" 776 743   41 A"   702  
33 A" 391 374   -13 A"   387  
The calculated vibrational frequencies were scaled by 0.9577

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.