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Compare vibrational frequencies in CCCBDB for C3H6O (Oxetane)

mPW1PW91/6-31+G**

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 A1 3119 2968   9 A1   2959  
2 A1 3065 2917   -13 A1   2930  
3 A1 1554 1479   6 A1   1473  
4 A1 1500 1428   -33 A1   1461  
5 A1 1390 1323   -19 A1   1342  
6 A1 1074 1022   -112 A1   1134  
7 A1 959 913   -105 A1   1018  
8 A1 815 776   -132 A1   908  
9 A2 3108 2958   -42 A2   3000  
10 A2 1241 1181   -102 A2   1283  
11 A2 1171 1115   -70 A2   1185  
12 A2 844 803   -183 A2   986  
13 B1 3179 3026   19 B1   3007  
14 B1 3106 2956   16 B1   2940  
15 B1 1204 1146   -79 B1   1225  
16 B1 1157 1101   -41 B1   1142  
17 B1 775 737   -99 B1   836  
18 B1 20 19   -71 B1   90  
19 B2 3056 2908   -58 B2   2966  
20 B2 1524 1451   -57 B2   1508  
21 B2 1324 1260   -198 B2   1458  
22 B2 1272 1211   -152 B2   1363  
23 B2 1080 1028   -200 B2   1228  
24 B2 968 921   -15 B2   936  
The calculated vibrational frequencies were scaled by 0.9518

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.