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Compare vibrational frequencies in CCCBDB for C3H6O (Oxetane)

B3LYP/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 3085 2975   16 A1   2959  
2 A1 3037 2928   -2 A1   2930  
3 A1 1548 1492   19 A1   1473  
4 A1 1499 1445   -16 A1   1461  
5 A1 1377 1328   -14 A1   1342  
6 A1 1043 1006   -128 A1   1134  
7 A1 924 891   -127 A1   1018  
8 A1 810 781   -127 A1   908  
9 A2 3075 2965   -35 A2   3000  
10 A2 1233 1189   -94 A2   1283  
11 A2 1159 1117   -68 A2   1185  
12 A2 839 809   -177 A2   986  
13 B1 3140 3027   20 B1   3007  
14 B1 3073 2963   23 B1   2940  
15 B1 1195 1152   -73 B1   1225  
16 B1 1147 1106   -36 B1   1142  
17 B1 771 744   -92 B1   836  
18 B1 46 44   -46 B1   90  
19 B2 3028 2920   -46 B2   2966  
20 B2 1519 1465   -43 B2   1508  
21 B2 1314 1267   -191 B2   1458  
22 B2 1264 1219   -144 B2   1363  
23 B2 1033 996   -232 B2   1228  
24 B2 943 910   -26 B2   936  
The calculated vibrational frequencies were scaled by 0.9642

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.