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Compare vibrational frequencies in CCCBDB for C5H8 (Cyclopentene)

HF/TZVP

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' 3349 3043   -23 A'   3066  
2 A' 3232 2937   -21 A'   2958  
3 A' 3204 2911   -5 A'   2916  
4 A' 3180 2889   -13 A'   2902  
5 A' 3152 2864   12 A'   2852  
6 A' 1820 1654   38 A'   1616  
7 A' 1638 1489   22 A'   1467  
8 A' 1608 1461   12 A'   1449  
9 A' 1459 1325   23 A'   1302  
10 A' 1341 1218   -66 A'   1284  
11 A' 1224 1112   -101 A'   1213  
12 A' 1171 1064   16 A'   1048  
13 A' 1028 934   -30 A'   964  
14 A' 959 871   -91 A'   962  
15 A' 887 806   -98 A'   904  
16 A' 786 714   22 A'   692  
17 A' 658 598   -5 A'   603  
18 A' 161 146   -108 A'   254  
19 A" 3322 3018   -21 A"   3039  
20 A" 3196 2904   -63 A"   2967  
21 A" 3154 2866   -61 A"   2927  
22 A" 1617 1469   2 A"   1467  
23 A" 1504 1367   -65 A"   1432  
24 A" 1442 1310   -46 A"   1356  
25 A" 1428 1298   -4 A"   1302  
26 A" 1338 1216   -81 A"   1297  
27 A" 1254 1139   -68 A"   1207  
28 A" 1106 1005   -108 A"   1113  
29 A" 1085 986   -96 A"   1082  
30 A" 979 889   -48 A"   937  
31 A" 952 865   65 A"   800  
32 A" 838 761   59 A"   702  
33 A" 425 387   -0 A"   387  
The calculated vibrational frequencies were scaled by 0.9086

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.