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Compare vibrational frequencies in CCCBDB for C3H6S (Thietane)

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' 157 155   -2839 A'   2994  
2 A' 512 508   -2464 A'   2972  
3 A' 685 679   -2267 A'   2946  
4 A' 834 827   -2076 A'   2903  
5 A' 925 918   -552 A'   1470  
6 A' 956 948   -504 A'   1452  
7 A' 1163 1153   -71 A'   1224  
8 A' 1204 1194   11 A'   1183  
9 A' 1432 1420   445 A'   975  
10 A' 1452 1440   507 A'   933  
11 A' 2972 2947   2102 A'   845  
12 A' 2982 2958   2258 A'   700  
13 A' 3021 2996   2467 A'   529  
14 A' 3049 3024    A'      
15 A" 668 662   -2332 A"   2994  
16 A" 800 793   -2157 A"   2950  
17 A" 970 962   -492 A"   1454  
18 A" 999 991   -290 A"   1281  
19 A" 1145 1136   -93 A"   1229  
20 A" 1214 1204   39 A"   1165  
21 A" 1263 1253   242 A"   1011  
22 A" 1427 1415   429 A"   986  
23 A" 2982 2957   2134 A"   823  
24 A" 3044 3019   2342 A"   677  
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.