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Compare vibrational frequencies in CCCBDB for C5H5- (cylopentadienyl anion)

MP2/CEP-121G*

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' 3188 3038   -5 A1'   3043  
2 A1' 1132 1078   95 A1'   983  
3 A2' 1270 1210   -50 A2'   1260  
4 A2" 619 590   -120 A2"   710  
5 E1' 3166 3016   -23 E1'   3039  
6 E1' 1465 1396   -59 E1'   1455  
7 E1' 1025 976   -27 E1'   1003  
8 E1" 436 416   -209 E1"   625  
9 E2' 3141 2993   -103 E2'   3096  
10 E2' 1430 1363   -84 E2'   1447  
11 E2' 1073 1022   2 E2'   1020  
12 E2' 828 789   -65 E2'   854  
13 E2" 653 622   -64 E2"   686  
14 E2" 109 104   -496 E2"   600  
The calculated vibrational frequencies were scaled by 0.9528

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.