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Compare vibrational frequencies in CCCBDB for C13H10 (Fluorene)

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 3232 3066   -10 A1   3076 estimate
2 A1 3219 3054   -0 A1   3054  
3 A1 3208 3043   12 A1   3031  
4 A1 3201 3037   13 A1   3024  
5 A1 3076 2918   8 A1   2910  
6 A1 1662 1577   -9 A1   1586 estimate
7 A1 1627 1543   -40 A1   1583 estimate
8 A1 1524 1446   -30 A1   1476 estimate
9 A1 1494 1418   -32 A1   1450 estimate
10 A1 1467 1392   -28 A1   1420  
11 A1 1451 1377   37 A1   1340 estimate
12 A1 1335 1266   -24 A1   1290 estimate
13 A1 1273 1207   -24 A1   1231  
14 A1 1216 1153   -33 A1   1186 estimate
15 A1 1177 1117   -49 A1   1166 estimate
16 A1 1118 1060   -33 A1   1093  
17 A1 1046 992   -35 A1   1027 estimate
18 A1 854 810   -34 A1   844 estimate
19 A1 752 714   -26 A1   740 estimate
20 A1 637 604   -23 A1   627  
21 A1 420 399   -12 A1   411 estimate
22 A1 214 203   -13 A1   216 estimate
23 A2 1148 1089   -45 A2   1134 estimate
24 A2 882 836   -141 A2   977 estimate
25 A2 868 824   -120 A2   944 estimate
26 A2 823 781   -87 A2   868 estimate
27 A2 718 682   -100 A2   782 estimate
28 A2 501 475           
29 A2 361 343   -223 A2   566 estimate
30 A2 261 248   -182 A2   430 estimate
31 A2 223 211   -59 A2   270 estimate
32 A2 126 120   -9 A2   129 estimate
33 B1 3123 2962           
34 B1 932 885           
35 B1 885 839           
36 B1 870 825           
37 B1 834 792           
38 B1 725 688   -39 A2   727 estimate
39 B1 429 407           
40 B1 384 364           
41 B1 341 324           
42 B1 217 205           
43 B1 88 84           
44 B2 3231 3065           
45 B2 3218 3053           
46 B2 3206 3041           
47 B2 3201 3036           
48 B2 1655 1570           
49 B2 1630 1546           
50 B2 1509 1432           
51 B2 1481 1405           
52 B2 1463 1388           
53 B2 1330 1262           
54 B2 1233 1170           
55 B2 1197 1136           
56 B2 1176 1115           
57 B2 1133 1075           
58 B2 1048 994           
59 B2 1018 965           
60 B2 819 777           
61 B2 627 594           
62 B2 548 519           
63 B2 490 465           
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.