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Compare vibrational frequencies in CCCBDB for CH2CCH2 (allene)

QCISD(T)/6-311G*

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 1072 1032   -1983 A1   3015  
2 B1 868 836   -607 A1   1443  
3 B2 2005 1931   858 A1   1073  
4 E 3203 3084   2219 B1   865  
5 E 3202 3083   76 B2   3007  
6 E 3121 3005   1048 B2   1957  
7 E 3119 3003   1605 B2   1398  
8 E 1489 1434   -1652 E   3086  
9 E 1026 988   -11 E   999  
10 E 838 807   -34 E   841  
11 E 344 331   -24 E   355  
The calculated vibrational frequencies were scaled by 0.9628

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.