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Compare vibrational frequencies in CCCBDB for C4H8O (Cyclobutanol)

PBEPBE/6-311+G(3df,2p)

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' 174 173   -3483 A'   3656  
2 A' 442 439   -2554 A'   2993  
3 A' 586 582   -2397 A'   2979  
4 A' 732 726   -2242 A'   2968  
5 A' 880 873   -2070 A'   2943  
6 A' 957 950   -1925 A'   2875  
7 A' 1048 1039   -430 A'   1469  
8 A' 1098 1089   -361 A'   1450  
9 A' 1170 1161   -232 A'   1393  
10 A' 1215 1205   -73 A'   1278  
11 A' 1282 1271   30 A'   1241  
12 A' 1379 1368   248 A'   1120  
13 A' 1435 1423   326 A'   1097  
14 A' 1455 1443   372 A'   1071  
15 A' 2967 2943   1980 A'   963  
16 A' 2988 2963   2138 A'   825  
17 A' 2992 2968   2218 A'   750  
18 A' 3030 3005   2403 A'   602  
19 A' 3049 3024   2567 A'   457  
20 A' 3705 3674   3504 A'   170  
21 A" 290 288   -2691 A"   2979  
22 A" 393 390   -2574 A"   2964  
23 A" 761 755   -683 A"   1438  
24 A" 896 888   -323 A"   1211  
25 A" 912 905   -294 A"   1199  
26 A" 1010 1001   -159 A"   1160  
27 A" 1140 1131   102 A"   1029  
28 A" 1196 1186   228 A"   958  
29 A" 1204 1194   267 A"   927  
30 A" 1238 1228   326 A"   902  
31 A" 1417 1406   625 A"   781  
32 A" 2965 2941   2561 A"   380  
33 A" 3030 3005   2762 A"   243  
The calculated vibrational frequencies were scaled by 0.9918

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.