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Compare vibrational frequencies in CCCBDB for P(CH3)3 (trimethylphosphine)

QCISD(T)/TZVP

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 3124 3009           
2 A1 3034 2922   31 A1   2891  
3 A1 1479 1425   4 A1   1421  
4 A1 1362 1312   8 A1   1304  
5 A1 979 943   -3 A1   946  
6 A1 654 630   -20 A1   650  
7 A1 290 279   -20 A1   299  
8 A2 3136 3020    A2      
9 A2 1461 1407   -14 A2   1421  
10 A2 788 759    A2      
11 A2 18 17    A2      
12 E 3136 3021   55 E   2966  
13 E 3123 3008   56 E   2952  
14 E 3035 2923   32 E   2891  
15 E 1479 1424   3 E   1421  
16 E 1460 1406   -15 E   1421  
17 E 1334 1285   -7 E   1292  
18 E 961 926   -20 E   946  
19 E 845 814   -117 E   931  
20 E 710 684   -20 E   704  
21 E 249 240    E      
22 E 177 170   -89 E   259  
The calculated vibrational frequencies were scaled by 0.9632

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.