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Compare vibrational frequencies in CCCBDB for N(SiH3)3 (trisilylamine)

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 A' 2262 2163   -17 A'   2180  
2 A' 2249 2151           
3 A' 1018 973   -38 A'   1011  
4 A' 960 919   -55 A'   974  
5 A' 651 623           
6 A' 487 466   -27 A'   493  
7 A" 2253 2155           
8 A" 945 904           
9 A" 741 709   -39 A"   748  
10 A" 166 158           
11 A" 79 76           
12 E' 2259 2161           
13 E' 2246 2148           
14 E' 1015 971   -24 E'   995  
15 E' 972 930   -44 E'   974  
16 E' 942 901   -42 E'   942  
17 E' 688 658   -39 E'   697  
18 E' 155 149   -41 E'   190  
19 E" 2249 2151           
20 E" 942 902           
21 E" 688 658   -39 E"   697  
22 E" 74 71           
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.