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Compare vibrational frequencies in CCCBDB for C4H6 (Cyclobutene)

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 A1 877 870   -2190 A1   3060  
2 A1 980 972   -1963 A1   2935  
3 A1 1107 1098   -472 A1   1570  
4 A1 1165 1155   -295 A1   1450  
5 A1 1428 1416   140 A1   1276  
6 A1 1584 1571   385 A1   1186  
7 A1 2969 2945   1832 A1   1113  
8 A1 3123 3097   2211 A1   886  
9 A2 308 305   -2650 A2   2955  
10 A2 901 894   -382 A2   1276  
11 A2 995 987   -94 A2   1081  
12 A2 1126 1117   267 A2   850  
13 A2 3002 2978   2653 A2   325  
14 B1 622 616   -2339 B1   2955  
15 B1 839 832   -242 B1   1074  
16 B1 1060 1051   205 B1   846  
17 B1 3016 2991   2356 B1   635  
18 B2 833 826   -2221 B2   3047  
19 B2 884 876   -2040 B2   2916  
20 B2 1190 1180   -247 B2   1427  
21 B2 1278 1267   -27 B2   1294  
22 B2 1408 1397   183 B2   1214  
23 B2 2965 2940   2052 B2   888  
24 B2 3091 3066   2326 B2   740  
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.