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Compare vibrational frequencies in CCCBDB for C3H6O (Oxetane)

MP2/6-311G**

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 3132 2976   17 A1   2959  
2 A1 3084 2930   0 A1   2930  
3 A1 1572 1494   21 A1   1473  
4 A1 1513 1437   -24 A1   1461  
5 A1 1414 1344   2 A1   1342  
6 A1 1075 1022   -112 A1   1134  
7 A1 957 909   -109 A1   1018  
8 A1 817 776   -132 A1   908  
9 A2 3136 2980   -20 A2   3000  
10 A2 1257 1195   -88 A2   1283  
11 A2 1192 1132   -53 A2   1185  
12 A2 856 814   -172 A2   986  
13 B1 3203 3044   37 B1   3007  
14 B1 3134 2978   38 B1   2940  
15 B1 1217 1157   -68 B1   1225  
16 B1 1174 1116   -26 B1   1142  
17 B1 784 745   -91 B1   836  
18 B1 46i 44i   -133 B1   90  
19 B2 3076 2922   -44 B2   2966  
20 B2 1543 1466   -42 B2   1508  
21 B2 1344 1277   -181 B2   1458  
22 B2 1277 1214   -149 B2   1363  
23 B2 1071 1017   -211 B2   1228  
24 B2 977 928   -8 B2   936  
The calculated vibrational frequencies were scaled by 0.9502

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.