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Compare vibrational frequencies in CCCBDB for B5H9 (pentaborane9)

HSEh1PBE/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 2736 2612   -16 A1   2628  
2 A1 2722 2599   -11 A1   2610  
3 A1 2037 1945   101 A1   1844  
4 A1 1161 1109   -17 A1   1126  
5 A1 1015 969   -16 A1   985  
6 A1 822 785   -14 A1   799  
7 A1 718 686   -16 A1   702  
8 A2 1493 1426           
9 A2 874 835           
10 B1 1999 1908           
11 B1 1028 981           
12 B1 788 753   12 B1   741 B1 and B2 switched
13 B1 630 601   361 B1   240 B1 and B2 switched
14 B2 2711 2588   -22 B2   2610 B1 and B2 switched
15 B2 1708 1631           
16 B2 808 771   -265 B2   1036 B1 and B2 switched
17 B2 731 698   -87 B2   785 B1 and B2 switched
18 B2 496 474   -126 B2   600 B1 and B2 switched
19 E 2720 2597   -13 E   2610  
20 E 1998 1907   107 E   1800  
21 E 1580 1508   -126 E   1634  
22 E 1080 1032   -377 E   1409  
23 E 956 913   -123 E   1036  
24 E 918 877   -15 E   892  
25 E 814 777   67 E   710  
26 E 647 618   0 E   618  
27 E 600 573           
The calculated vibrational frequencies were scaled by 0.9548

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.