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Compare vibrational frequencies in CCCBDB for C4H5N (Cyclopropanecarbonitrile)

PBEPBE/6-311+G(3df,2p)

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 A' 207 205   -2915 A'   3120  
2 A' 519 515   -2537 A'   3052  
3 A' 739 733   -2311 A'   3044  
4 A' 793 786   -1478 A'   2264  
5 A' 948 940   -528 A'   1468  
6 A' 1023 1015   -329 A'   1344  
7 A' 1102 1093   -102 A'   1195  
8 A' 1190 1180   55 A'   1125  
9 A' 1336 1325   276 A'   1049  
10 A' 1449 1437   496 A'   941  
11 A' 2257 2239   1431 A'   808  
12 A' 3077 3052   2316 A'   736  
13 A' 3094 3068   2541 A'   527  
14 A' 3171 3145   2923 A'   222  
15 A" 209 207   -2887 A"   3094  
16 A" 537 533   -2507 A"   3040  
17 A" 806 799   -643 A"   1442  
18 A" 871 864   -316 A"   1180  
19 A" 1045 1037   -33 A"   1070  
20 A" 1070 1061   -27 A"   1088  
21 A" 1161 1152   272 A"   880  
22 A" 1420 1408   587 A"   821  
23 A" 3075 3050   2507 A"   543  
24 A" 3157 3131   2909 A"   222  
The calculated vibrational frequencies were scaled by 0.9918

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.