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Compare vibrational frequencies in CCCBDB for B4H10 (Tetraborane(10))

G4

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 2710 2710   140 A1   2570 1
2 A1 2690 2690   120 A1   2570 2
3 A1 2602 2602   127 A1   2475 3
4 A1 2230 2230   135 A1   2095 4
5 A1 1571 1571   127 A1   1444 5
6 A1 1183 1183   -72 A1   1255 6
7 A1 996 996   -149 A1   1145 7
8 A1 855 855   -110 A1   965 10
9 A1 799 799   -109 A1   908 8
10 A1 670 670   -157 A1   827 11
11 A1 558 558   -227 A1   785 9
12 A1 210 210   -349 A1   559 12
13 A2 2257 2257   107 A2   2150 13
14 A2 1460 1460   152 A2   1308 14
15 A2 1079 1079   -38 A2   1117 15
16 A2 1036 1036   13 A2   1023 16
17 A2 907 907   39 A2   868 17
18 A2 677 677   -60 A2   737 18
19 A2 416 416   -246 A2   662 19
20 B1 2703 2703   133 B1   2570 20
21 B1 2234 2234   84 B1   2150 21
22 B1 1529 1529   205 B1   1324 22
23 B1 1097 1097   -99 B1   1196 23
24 B1 1008 1008   42 B1   966 24
25 B1 914 914   68 B1   846 25
26 B1 760 760           
27 B1 567 567           
28 B2 2691 2691   121 B2   2570 28
29 B2 2598 2598   123 B2   2475 29
30 B2 2246 2246   96 B2   2150 30
31 B2 1327 1327   -61 B2   1388 31
32 B2 1167 1167   27 B2   1140 33
33 B2 943 943   -121 B2   1064 32
34 B2 883 883   -15 B2   898 34
35 B2 474 474   2 B2   472 35
36 B2 354 354   118 B2   236 36
The calculated vibrational frequencies were scaled by 1

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.