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Compare vibrational frequencies in CCCBDB for CH2CCH2 (allene)

MP4/6-31G*

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 1096 1046   -1969 A1   3015  
2 B1 885 845   -598 A1   1443  
3 B2 2036 1944   871 A1   1073  
4 E 3243 3096   2231 B1   865  
5 E 3242 3096   89 B2   3007  
6 E 3163 3020   1063 B2   1957  
7 E 3162 3019   1621 B2   1398  
8 E 1512 1443   -1643 E   3086  
9 E 1042 995   -4 E   999  
10 E 857 818   -23 E   841  
11 E 355 339   -16 E   355  
The calculated vibrational frequencies were scaled by 0.9548

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.