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Compare vibrational frequencies in CCCBDB for C4H6 (Methylenecyclopropane)

MP2/6-31G(2df,p)

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 3201 3024   14 A1   3010  
2 A1 3188 3011   9 A1   3002  
3 A1 1861 1758   15 A1   1743  
4 A1 1502 1419   -18 A1   1437  
5 A1 1461 1380   -30 A1   1410  
6 A1 1088 1027   -9 A1   1036  
7 A1 1051 992   -10 A1   1002  
8 A1 768 725   2 A1   723  
9 A2 3276 3094   43 A2   3051  
10 A2 1186 1120   -24 A2   1144  
11 A2 974 920   -17 A2   937  
12 A2 626 592   -24 A2   616  
13 B1 3287 3104   33 B1   3071  
14 B1 1111 1049   -23 B1   1072  
15 B1 930 878   -11 B1   889  
16 B1 762 720   -28 B1   748  
17 B1 295 279   -81 B1   360  
18 B2 3297 3114   28 B2   3086  
19 B2 3186 3009   10 B2   2999  
20 B2 1466 1385   32 B2   1353  
21 B2 1160 1095   -79 B2   1174  
22 B2 1082 1022   -103 B2   1125  
23 B2 929 878   86 B2   792  
24 B2 356 336   46 B2   290  
The calculated vibrational frequencies were scaled by 0.9445

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.