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Compare vibrational frequencies in CCCBDB for C5H8 (Cyclopentene)

mPW1PW91/6-311G*

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' 3223 3076   10 A'   3066  
2 A' 3127 2985   27 A'   2958  
3 A' 3091 2950   34 A'   2916  
4 A' 3069 2929   27 A'   2902  
5 A' 3030 2892   40 A'   2852  
6 A' 1707 1629   13 A'   1616  
7 A' 1525 1455   -12 A'   1467  
8 A' 1498 1429   -20 A'   1449  
9 A' 1345 1284   -18 A'   1302  
10 A' 1248 1191   -93 A'   1284  
11 A' 1136 1084   -129 A'   1213  
12 A' 1076 1027   -21 A'   1048  
13 A' 994 949   -15 A'   964  
14 A' 928 886   -76 A'   962  
15 A' 834 796   -108 A'   904  
16 A' 718 685   -7 A'   692  
17 A' 610 583   -20 A'   603  
18 A' 154 147   -107 A'   254  
19 A" 3197 3051   12 A"   3039  
20 A" 3083 2942   -25 A"   2967  
21 A" 3031 2893   -34 A"   2927  
22 A" 1505 1436   -31 A"   1467  
23 A" 1395 1331   -101 A"   1432  
24 A" 1340 1279   -77 A"   1356  
25 A" 1317 1256   -46 A"   1302  
26 A" 1243 1187   -110 A"   1297  
27 A" 1169 1116   -91 A"   1207  
28 A" 1058 1010   -103 A"   1113  
29 A" 973 929   -153 A"   1082  
30 A" 934 892   -45 A"   937  
31 A" 905 864   64 A"   800  
32 A" 789 753   51 A"   702  
33 A" 395 377   -10 A"   387  
The calculated vibrational frequencies were scaled by 0.9544

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.