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Compare vibrational frequencies in CCCBDB for C4H6 (Methylenecyclopropane)

mPW1PW91/6-31G**

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 3174 3020   10 A1   3010  
2 A1 3150 2997   -5 A1   3002  
3 A1 1881 1790   47 A1   1743  
4 A1 1502 1429   -8 A1   1437  
5 A1 1457 1387   -23 A1   1410  
6 A1 1099 1045   9 A1   1036  
7 A1 1053 1002   0 A1   1002  
8 A1 772 734   11 A1   723  
9 A2 3226 3070   19 A2   3051  
10 A2 1180 1123   -21 A2   1144  
11 A2 965 918   -19 A2   937  
12 A2 619 589   -27 A2   616  
13 B1 3238 3081   10 B1   3071  
14 B1 1106 1052   -20 B1   1072  
15 B1 921 877   -12 B1   889  
16 B1 762 725   -23 B1   748  
17 B1 298 284   -76 B1   360  
18 B2 3263 3104   18 B2   3086  
19 B2 3149 2996   -3 B2   2999  
20 B2 1463 1392   39 B2   1353  
21 B2 1158 1102   -72 B2   1174  
22 B2 1084 1031   -94 B2   1125  
23 B2 921 877   85 B2   792  
24 B2 357 339   49 B2   290  
The calculated vibrational frequencies were scaled by 0.9515

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.