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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 3083   17 A'   3066  
2 A' 3126 2991   33 A'   2958  
3 A' 3088 2955   39 A'   2916  
4 A' 3067 2935   33 A'   2902  
5 A' 3027 2896   44 A'   2852  
6 A' 1703 1629   13 A'   1616  
7 A' 1509 1443   -24 A'   1467  
8 A' 1482 1417   -32 A'   1449  
9 A' 1336 1278   -24 A'   1302  
10 A' 1236 1183   -101 A'   1284  
11 A' 1131 1082   -131 A'   1213  
12 A' 1068 1022   -26 A'   1048  
13 A' 992 949   -15 A'   964  
14 A' 925 885   -77 A'   962  
15 A' 830 794   -110 A'   904  
16 A' 721 690   -2 A'   692  
17 A' 609 582   -21 A'   603  
18 A' 153 146   -108 A'   254  
19 A" 3197 3058   19 A"   3039  
20 A" 3081 2948   -19 A"   2967  
21 A" 3029 2898   -29 A"   2927  
22 A" 1488 1423   -44 A"   1467  
23 A" 1386 1326   -106 A"   1432  
24 A" 1328 1270   -86 A"   1356  
25 A" 1307 1251   -51 A"   1302  
26 A" 1234 1181   -116 A"   1297  
27 A" 1157 1107   -100 A"   1207  
28 A" 1054 1008   -105 A"   1113  
29 A" 983 940   -142 A"   1082  
30 A" 931 891   -46 A"   937  
31 A" 898 859   59 A"   800  
32 A" 787 753   51 A"   702  
33 A" 395 378   -9 A"   387  
The calculated vibrational frequencies were scaled by 0.9567

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.