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Compare vibrational frequencies in CCCBDB for CH2FCH2Cl (Ethane, 1-chloro-2-fluoro-)

B2PLYP=FULLultrafine/STO-3G

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' 3386 3386   402 A'   2984  
2 A' 3305 3305   339 A'   2966  
3 A' 1682 1682   215 A'   1467  
4 A' 1649 1649   213 A'   1436  
5 A' 1531 1531   134 A'   1397  
6 A' 1379 1379   73 A'   1306  
7 A' 1223 1223   133 A'   1090  
8 A' 1093 1093   41 A'   1052  
9 A' 883 883   104 A'   779  
10 A' 384 384   1 A'   383  
11 A' 238 238   -7 A'   245  
12 A" 3510 3510   485 A"   3025  
13 A" 3408 3408   398 A"   3010  
14 A" 1394 1394   136 A"   1258  
15 A" 1278 1278   78 A"   1200  
16 A" 1121 1121   157 A"   964  
17 A" 825 825   -22 A"   847  
18 A" 98 98   -40 A"   138  
The calculated vibrational frequencies were scaled by 1

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.