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Compare vibrational frequencies in CCCBDB for C5H8 (Cyclopentene)

B1B95/cc-pV(T+d)Z

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' 3222 3085   19 A'   3066  
2 A' 3127 2994   36 A'   2958  
3 A' 3091 2959   43 A'   2916  
4 A' 3070 2939   37 A'   2902  
5 A' 3028 2898   46 A'   2852  
6 A' 1705 1633   17 A'   1616  
7 A' 1504 1440   -27 A'   1467  
8 A' 1479 1416   -33 A'   1449  
9 A' 1335 1278   -24 A'   1302  
10 A' 1234 1181   -103 A'   1284  
11 A' 1130 1082   -131 A'   1213  
12 A' 1068 1022   -26 A'   1048  
13 A' 993 951   -13 A'   964  
14 A' 929 889   -73 A'   962  
15 A' 829 794   -110 A'   904  
16 A' 719 689   -3 A'   692  
17 A' 600 574   -29 A'   603  
18 A' 154 147   -107 A'   254  
19 A" 3196 3060   21 A"   3039  
20 A" 3084 2952   -15 A"   2967  
21 A" 3030 2901   -26 A"   2927  
22 A" 1485 1422   -45 A"   1467  
23 A" 1390 1330   -102 A"   1432  
24 A" 1327 1270   -86 A"   1356  
25 A" 1309 1253   -49 A"   1302  
26 A" 1231 1178   -119 A"   1297  
27 A" 1153 1104   -103 A"   1207  
28 A" 1053 1008   -105 A"   1113  
29 A" 985 943   -139 A"   1082  
30 A" 933 893   -44 A"   937  
31 A" 896 858   58 A"   800  
32 A" 784 751   49 A"   702  
33 A" 395 379   -8 A"   387  
The calculated vibrational frequencies were scaled by 0.9573

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.