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

B1B95/6-31G(2df,p)

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 2727 2611   41 A1   2570 1
2 A1 2698 2584   14 A1   2570 2
3 A1 2608 2498   23 A1   2475 3
4 A1 2253 2157   62 A1   2095 4
5 A1 1603 1535   91 A1   1444 5
6 A1 1175 1126   -129 A1   1255 6
7 A1 985 943   -202 A1   1145 7
8 A1 860 824   -141 A1   965 10
9 A1 806 772   -136 A1   908 8
10 A1 670 642   -185 A1   827 11
11 A1 597 572   -213 A1   785 9
12 A1 213 204   -355 A1   559 12
13 A2 2293 2196   46 A2   2150 13
14 A2 1506 1443   135 A2   1308 14
15 A2 1075 1030   -87 A2   1117 15
16 A2 1028 984   -39 A2   1023 16
17 A2 916 878   10 A2   868 17
18 A2 706 676   -61 A2   737 18
19 A2 402 385   -277 A2   662 19
20 B1 2719 2604   34 B1   2570 20
21 B1 2258 2163   13 B1   2150 21
22 B1 1553 1488   164 B1   1324 22
23 B1 1088 1042   -154 B1   1196 23
24 B1 1009 966   0 B1   966 24
25 B1 912 873   27 B1   846 25
26 B1 738 706           
27 B1 599 574           
28 B2 2700 2585   15 B2   2570 28
29 B2 2605 2495   20 B2   2475 29
30 B2 2278 2182   32 B2   2150 30
31 B2 1365 1307   -81 B2   1388 31
32 B2 1159 1110   -30 B2   1140 33
33 B2 925 885   -179 B2   1064 32
34 B2 881 844   -54 B2   898 34
35 B2 557 533   61 B2   472 35
36 B2 338 324   88 B2   236 36
The calculated vibrational frequencies were scaled by 0.9577

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.