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Compare vibrational frequencies in CCCBDB for C5H8 (Cyclopentene)

MP2/6-311G*

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' 3235 3075   9 A'   3066  
2 A' 3158 3001   43 A'   2958  
3 A' 3124 2969   53 A'   2916  
4 A' 3094 2940   38 A'   2902  
5 A' 3059 2907   55 A'   2852  
6 A' 1660 1577   -39 A'   1616  
7 A' 1544 1467   0 A'   1467  
8 A' 1520 1444   -5 A'   1449  
9 A' 1348 1281   -21 A'   1302  
10 A' 1261 1199   -85 A'   1284  
11 A' 1136 1079   -134 A'   1213  
12 A' 1085 1031   -17 A'   1048  
13 A' 997 948   -16 A'   964  
14 A' 936 890   -72 A'   962  
15 A' 849 807   -97 A'   904  
16 A' 710 675   -17 A'   692  
17 A' 595 565   -38 A'   603  
18 A' 188 179   -75 A'   254  
19 A" 3211 3051   12 A"   3039  
20 A" 3124 2969   2 A"   2967  
21 A" 3061 2909   -18 A"   2927  
22 A" 1525 1449   -18 A"   1467  
23 A" 1392 1323   -109 A"   1432  
24 A" 1355 1288   -68 A"   1356  
25 A" 1318 1253   -49 A"   1302  
26 A" 1237 1176   -121 A"   1297  
27 A" 1172 1114   -93 A"   1207  
28 A" 1065 1012   -101 A"   1113  
29 A" 945 898   -184 A"   1082  
30 A" 930 884   -53 A"   937  
31 A" 912 867   67 A"   800  
32 A" 777 738   36 A"   702  
33 A" 393 374   -13 A"   387  
The calculated vibrational frequencies were scaled by 0.9503

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.