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Compare vibrational frequencies in CCCBDB for C4H6 (Methylenecyclopropane)

B1B95/6-31+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 3160 3023   13 A1   3010  
2 A1 3138 3002   0 A1   3002  
3 A1 1865 1784   41 A1   1743  
4 A1 1485 1420   -17 A1   1437  
5 A1 1441 1378   -32 A1   1410  
6 A1 1091 1043   7 A1   1036  
7 A1 1038 993   -9 A1   1002  
8 A1 767 734   11 A1   723  
9 A2 3214 3075   24 A2   3051  
10 A2 1165 1114   -30 A2   1144  
11 A2 951 909   -28 A2   937  
12 A2 609 583   -33 A2   616  
13 B1 3226 3086   15 B1   3071  
14 B1 1091 1044   -28 B1   1072  
15 B1 915 876   -13 B1   889  
16 B1 754 722   -26 B1   748  
17 B1 294 281   -79 B1   360  
18 B2 3248 3107   21 B2   3086  
19 B2 3137 3001   2 B2   2999  
20 B2 1444 1381   28 B2   1353  
21 B2 1146 1096   -78 B2   1174  
22 B2 1072 1026   -99 B2   1125  
23 B2 915 876   84 B2   792  
24 B2 353 338   48 B2   290  
The calculated vibrational frequencies were scaled by 0.9566

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.