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Compare vibrational frequencies in CCCBDB for C4H6 (Methylenecyclopropane)

B3LYP/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 3120 3016   6 A1   3010  
2 A1 3099 2997   -5 A1   3002  
3 A1 1835 1774   31 A1   1743  
4 A1 1484 1434   -3 A1   1437  
5 A1 1443 1395   -15 A1   1410  
6 A1 1062 1027   -9 A1   1036  
7 A1 1034 1000   -2 A1   1002  
8 A1 741 716   -7 A1   723  
9 A2 3169 3064   13 A2   3051  
10 A2 1166 1127   -17 A2   1144  
11 A2 959 927   -10 A2   937  
12 A2 618 598   -18 A2   616  
13 B1 3182 3077   6 B1   3071  
14 B1 1096 1060   -12 B1   1072  
15 B1 918 888   -1 B1   889  
16 B1 756 731   -17 B1   748  
17 B1 290 281   -79 B1   360  
18 B2 3200 3093   7 B2   3086  
19 B2 3098 2996   -3 B2   2999  
20 B2 1449 1401   48 B2   1353  
21 B2 1140 1102   -72 B2   1174  
22 B2 1070 1035   -90 B2   1125  
23 B2 900 870   78 B2   792  
24 B2 357 345   55 B2   290  
The calculated vibrational frequencies were scaled by 0.9668

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.