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Compare vibrational frequencies in CCCBDB for C5H8 (Cyclopentene)

HF/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' 3341 3041   -25 A'   3066  
2 A' 3222 2933   -25 A'   2958  
3 A' 3194 2907   -9 A'   2916  
4 A' 3169 2885   -17 A'   2902  
5 A' 3141 2860   8 A'   2852  
6 A' 1821 1657   41 A'   1616  
7 A' 1635 1488   21 A'   1467  
8 A' 1605 1461   12 A'   1449  
9 A' 1459 1328   26 A'   1302  
10 A' 1338 1218   -66 A'   1284  
11 A' 1220 1111   -102 A'   1213  
12 A' 1171 1066   18 A'   1048  
13 A' 1030 937   -27 A'   964  
14 A' 959 873   -89 A'   962  
15 A' 885 806   -98 A'   904  
16 A' 785 715   23 A'   692  
17 A' 661 602   -1 A'   603  
18 A' 152 138   -116 A'   254  
19 A" 3312 3015   -24 A"   3039  
20 A" 3183 2898   -69 A"   2967  
21 A" 3144 2862   -65 A"   2927  
22 A" 1614 1470   3 A"   1467  
23 A" 1504 1369   -63 A"   1432  
24 A" 1439 1310   -46 A"   1356  
25 A" 1428 1300   -2 A"   1302  
26 A" 1339 1219   -78 A"   1297  
27 A" 1253 1140   -67 A"   1207  
28 A" 1108 1009   -104 A"   1113  
29 A" 1091 993   -89 A"   1082  
30 A" 980 892   -45 A"   937  
31 A" 953 868   68 A"   800  
32 A" 837 762   60 A"   702  
33 A" 424 386   -1 A"   387  
The calculated vibrational frequencies were scaled by 0.9103

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.