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Compare vibrational frequencies in CCCBDB for C6H5Cl (chlorobenzene)

MP2=FULL/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 3246 3079   -5 A1   3084  
2 A1 3236 3070   16 A1   3054  
3 A1 3215 3050   19 A1   3031  
4 A1 1637 1553   -33 A1   1586  
5 A1 1510 1432   -51 A1   1483  
6 A1 1200 1138   -36 A1   1174  
7 A1 1133 1074   -18 A1   1092  
8 A1 1046 993   -33 A1   1025  
9 A1 1006 955   -49 A1   1003  
10 A1 719 682   -24 A1   706  
11 A1 424 402   -15 A1   417  
12 A2 912 865   -96 A2   961  
13 A2 823 781   -51 A2   832  
14 A2 396 376   -27 A2   403  
15 B1 903 856   -125 B1   981  
16 B1 862 817   -85 B1   902  
17 B1 722 685   -55 B1   741  
18 B1 447 424   -261 B1   685  
19 B1 401 380   -86 B1   467  
20 B1 184 174   -24 B1   198  
21 B2 3242 3075   -23 B2   3098  
22 B2 3224 3058   -9 B2   3067  
23 B2 1635 1551   -47 B2   1598  
24 B2 1476 1400   -48 B2   1448  
25 B2 1450 1375   49 B2   1326  
26 B2 1327 1259   -11 B2   1271  
27 B2 1181 1121   -36 B2   1157  
28 B2 1100 1043   -25 B2   1068  
29 B2 619 587   -28 B2   615  
30 B2 297 281   -13 B2   295  
The calculated vibrational frequencies were scaled by 0.9486

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.