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

M06-2X/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 2762 2625   55 A1   2570 1
2 A1 2750 2613   43 A1   2570 2
3 A1 2659 2527   52 A1   2475 3
4 A1 2296 2182   87 A1   2095 4
5 A1 1600 1520   76 A1   1444 5
6 A1 1187 1128   -127 A1   1255 6
7 A1 1017 966   -179 A1   1145 7
8 A1 863 820   -145 A1   965 10
9 A1 814 773   -135 A1   908 8
10 A1 692 658   -169 A1   827 11
11 A1 592 562   -223 A1   785 9
12 A1 231 220   -339 A1   559 12
13 A2 2328 2213   63 A2   2150 13
14 A2 1494 1420   112 A2   1308 14
15 A2 1097 1043   -74 A2   1117 15
16 A2 1043 991   -32 A2   1023 16
17 A2 922 876   8 A2   868 17
18 A2 697 662   -75 A2   737 18
19 A2 417 396   -266 A2   662 19
20 B1 2754 2617   47 B1   2570 20
21 B1 2298 2184   34 B1   2150 21
22 B1 1547 1471   147 B1   1324 22
23 B1 1114 1059   -137 B1   1196 23
24 B1 1030 979   13 B1   966 24
25 B1 925 879   33 B1   846 25
26 B1 753 716           
27 B1 596 567           
28 B2 2753 2616   46 B2   2570 28
29 B2 2656 2524   49 B2   2475 29
30 B2 2318 2203   53 B2   2150 30
31 B2 1359 1291   -97 B2   1388 31
32 B2 1172 1113   -27 B2   1140 33
33 B2 943 897   -167 B2   1064 32
34 B2 888 844   -54 B2   898 34
35 B2 547 520   48 B2   472 35
36 B2 372 354   118 B2   236 36
The calculated vibrational frequencies were scaled by 0.9504

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.