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

MP2/6-31+G**

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' 3258 3065   22 A1'   3043  
2 A1' 1153 1084   101 A1'   983  
3 A2' 1298 1221   -39 A2'   1260  
4 A2" 624 587   -123 A2"   710  
5 E1' 3236 3044   5 E1'   3039  
6 E1' 1486 1398   -57 E1'   1455  
7 E1' 1039 977   -26 E1'   1003  
8 E1" 557 524   -101 E1"   625  
9 E2' 3212 3021   -75 E2'   3096  
10 E2' 1449 1363   -84 E2'   1447  
11 E2' 1091 1026   6 E2'   1020  
12 E2' 842 792   -62 E2'   854  
13 E2" 685 644   -42 E2"   686  
14 E2" 491 462   -138 E2"   600  
The calculated vibrational frequencies were scaled by 0.9406

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.