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

B1B95/6-31+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 2722 2604   34 A1   2570 1
2 A1 2691 2574   4 A1   2570 2
3 A1 2602 2489   14 A1   2475 3
4 A1 2265 2166   71 A1   2095 4
5 A1 1608 1538   94 A1   1444 5
6 A1 1176 1125   -130 A1   1255 6
7 A1 993 949   -196 A1   1145 7
8 A1 868 830   -135 A1   965 10
9 A1 813 778   -130 A1   908 8
10 A1 677 647   -180 A1   827 11
11 A1 599 573   -212 A1   785 9
12 A1 222 212   -347 A1   559 12
13 A2 2309 2208   58 A2   2150 13
14 A2 1512 1446   138 A2   1308 14
15 A2 1085 1038   -79 A2   1117 15
16 A2 1029 985   -38 A2   1023 16
17 A2 926 886   18 A2   868 17
18 A2 709 678   -59 A2   737 18
19 A2 411 393   -269 A2   662 19
20 B1 2715 2597   27 B1   2570 20
21 B1 2272 2173   23 B1   2150 21
22 B1 1559 1491   167 B1   1324 22
23 B1 1097 1050   -146 B1   1196 23
24 B1 1015 971   5 B1   966 24
25 B1 915 875   29 B1   846 25
26 B1 745 712           
27 B1 603 577           
28 B2 2692 2575   5 B2   2570 28
29 B2 2599 2486   11 B2   2475 29
30 B2 2293 2193   43 B2   2150 30
31 B2 1367 1308   -80 B2   1388 31
32 B2 1159 1109   -31 B2   1140 33
33 B2 932 891   -173 B2   1064 32
34 B2 886 848   -50 B2   898 34
35 B2 560 536   64 B2   472 35
36 B2 352 336   100 B2   236 36
The calculated vibrational frequencies were scaled by 0.9566

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.