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Compare vibrational frequencies in CCCBDB for C6H4Cl2 (1,3-dichlorobenzene)

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 3284 3105           
2 A1 3282 3103   32 A1   3071  
3 A1 3255 3077   6 A1   3071  
4 A1 1663 1573   -4 A1   1577  
5 A1 1475 1394   -18 A1   1412  
6 A1 1175 1111   -13 A1   1124  
7 A1 1119 1058   -15 A1   1073  
8 A1 1019 964   -33 A1   997  
9 A1 683 646   -17 A1   663  
10 A1 408 386   -12 A1   398  
11 A1 199 188   -10 A1   198  
12 A2 876 828   -64 A2   892  
13 A2 426 403   -129 A2   532  
14 A2 194 183   -29 A2   212  
15 B1 924 874   -90 B1   964  
16 B1 842 796   -71 B1   867  
17 B1 761 720   -53 B1   773  
18 B1 416 393   -279 B1   672  
19 B1 161 152   -281 B1   433  
20 B1 121i 114i   -289 B1   175  
21 B2 3276 3097   2 B2   3095  
22 B2 1670 1579   2 B2   1577  
23 B2 1534 1450   -12 B2   1462  
24 B2 1347 1273   -16 B2   1289  
25 B2 1282 1212   -46 B2   1258  
26 B2 1209 1143   -18 B2   1161  
27 B2 1137 1075   -5 B2   1080  
28 B2 813 769   -15 B2   784  
29 B2 437 413   -16 B2   429  
30 B2 371 351   -14 B2   365  
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.