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Compare vibrational frequencies in CCCBDB for C6H5F (Fluorobenzene)

MP2=FULL/6-31G**

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 3297 3081   -20 A1   3101  
2 A1 3286 3070   3 A1   3067  
3 A1 3264 3050   6 A1   3044  
4 A1 1685 1575   -21 A1   1596  
5 A1 1562 1460   -39 A1   1499  
6 A1 1292 1207   -13 A1   1220  
7 A1 1202 1124   -33 A1   1157  
8 A1 1058 989   -33 A1   1022  
9 A1 1028 961   -47 A1   1008  
10 A1 833 778   -30 A1   808  
11 A1 524 490   -29 A1   519  
12 A2 921 860   -110 A2   970  
13 A2 831 776   -50 A2   826  
14 A2 410 383   -22 A2   405  
15 B1 919 859   -138 B1   997  
16 B1 871 814   -80 B1   894  
17 B1 753 704   -50 B1   754  
18 B1 533 498   -187 B1   685  
19 B1 480 448   -52 B1   500  
20 B1 238 222   -20 B1   242  
21 B2 3296 3080   -11 B2   3091  
22 B2 3273 3058   0 B2   3058  
23 B2 1685 1574   -29 B2   1603  
24 B2 1516 1417   -43 B2   1460  
25 B2 1472 1376   53 B2   1323  
26 B2 1348 1260   24 B2   1236  
27 B2 1207 1128   -29 B2   1157  
28 B2 1112 1039   -27 B2   1066  
29 B2 627 585   -29 B2   614  
30 B2 404 378   -27 B2   405  
The calculated vibrational frequencies were scaled by 0.9344

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.