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

QCISD(T)=FULL/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 2758 2758   188 A1   2570 1
2 A1 2735 2735   165 A1   2570 2
3 A1 2644 2644   169 A1   2475 3
4 A1 2316 2316   221 A1   2095 4
5 A1 1626 1626   182 A1   1444 5
6 A1 1217 1217   -38 A1   1255 6
7 A1 1056 1056   -89 A1   1145 7
8 A1 886 886   -79 A1   965 10
9 A1 827 827   -81 A1   908 8
10 A1 706 706   -121 A1   827 11
11 A1 587 587   -198 A1   785 9
12 A1 239 239   -320 A1   559 12
13 A2 2354 2354   204 A2   2150 13
14 A2 1528 1528   220 A2   1308 14
15 A2 1127 1127   10 A2   1117 15
16 A2 1053 1053   30 A2   1023 16
17 A2 948 948   80 A2   868 17
18 A2 704 704   -33 A2   737 18
19 A2 439 439   -223 A2   662 19
20 B1 2748 2748   178 B1   2570 20
21 B1 2316 2316   166 B1   2150 21
22 B1 1584 1584   260 B1   1324 22
23 B1 1146 1146   -50 B1   1196 23
24 B1 1040 1040   74 B1   966 24
25 B1 943 943   97 B1   846 25
26 B1 790 790           
27 B1 600 600           
28 B2 2736 2736   166 B2   2570 28
29 B2 2641 2641   166 B2   2475 29
30 B2 2340 2340   190 B2   2150 30
31 B2 1378 1378   -10 B2   1388 31
32 B2 1198 1198   58 B2   1140 33
33 B2 980 980   -84 B2   1064 32
34 B2 909 909   11 B2   898 34
35 B2 498 498   26 B2   472 35
36 B2 375 375   139 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.