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Compare vibrational frequencies in CCCBDB for C6H5Cl (chlorobenzene)

QCISD/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 3276 3097   13 A1   3084  
2 A1 3265 3086   32 A1   3054  
3 A1 3243 3066   35 A1   3031  
4 A1 1677 1585   -1 A1   1586  
5 A1 1549 1464   -19 A1   1483  
6 A1 1224 1157   -17 A1   1174  
7 A1 1141 1079   -13 A1   1092  
8 A1 1059 1001   -24 A1   1025  
9 A1 1021 965   -38 A1   1003  
10 A1 723 684   -22 A1   706  
11 A1 423 400   -16 A1   417  
12 A2 933 882   -79 A2   961  
13 A2 838 792   -40 A2   832  
14 A2 394 372   -31 A2   403  
15 B1 918 868   -113 B1   981  
16 B1 875 827   -75 B1   902  
17 B1 733 693   -47 B1   741  
18 B1 471 445   -239 B1   685  
19 B1 408 386   -81 B1   467  
20 B1 180 170   -28 B1   198  
21 B2 3273 3094   -4 B2   3098  
22 B2 3252 3075   8 B2   3067  
23 B2 1671 1580   -18 B2   1598  
24 B2 1508 1426   -22 B2   1448  
25 B2 1366 1292   -34 B2   1326  
26 B2 1307 1235   -35 B2   1271  
27 B2 1196 1131   -26 B2   1157  
28 B2 1118 1057   -11 B2   1068  
29 B2 629 595   -20 B2   615  
30 B2 299 283   -12 B2   295  
The calculated vibrational frequencies were scaled by 0.9454

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.