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Compare vibrational frequencies in CCCBDB for B5H9 (pentaborane9)

HF/6-311+G(3df,2p)

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 2804 2547   -81 A1   2628  
2 A1 2771 2518   -92 A1   2610  
3 A1 2056 1868   24 A1   1844  
4 A1 1260 1145   19 A1   1126  
5 A1 1074 976   -9 A1   985  
6 A1 849 771   -28 A1   799  
7 A1 748 679   -23 A1   702  
8 A2 1493 1356           
9 A2 853 775           
10 B1 1991 1809           
11 B1 1125 1022           
12 B1 768 697   -44 B1   741 B1 and B2 switched
13 B1 640 581   341 B1   240 B1 and B2 switched
14 B2 2783 2529   -81 B2   2610 B1 and B2 switched
15 B2 1791 1627           
16 B2 869 789   -247 B2   1036 B1 and B2 switched
17 B2 730 663   -122 B2   785 B1 and B2 switched
18 B2 483 439   -161 B2   600 B1 and B2 switched
19 E 2791 2536   -74 E   2610  
20 E 2001 1818   18 E   1800  
21 E 1635 1486   -148 E   1634  
22 E 1167 1061   -348 E   1409  
23 E 1007 915   -121 E   1036  
24 E 970 881   -11 E   892  
25 E 816 741   31 E   710  
26 E 667 606   -12 E   618  
27 E 580 527           
The calculated vibrational frequencies were scaled by 0.9086

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.