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

MP2/6-311G**

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 3158 3000           
2 A1 3060 2908   17 A1   2891  
3 A1 1491 1417   -4 A1   1421  
4 A1 1369 1301   -3 A1   1304  
5 A1 993 943   -3 A1   946  
6 A1 683 649   -1 A1   650  
7 A1 295 281   -18 A1   299  
8 A2 3173 3015    A2      
9 A2 1467 1394   -27 A2   1421  
10 A2 798 758    A2      
11 A2 127 121    A2      
12 E 3173 3015   49 E   2966  
13 E 3158 3001   49 E   2952  
14 E 3063 2910   19 E   2891  
15 E 1486 1412   -9 E   1421  
16 E 1471 1398   -23 E   1421  
17 E 1341 1274   -18 E   1292  
18 E 973 924   -22 E   946  
19 E 857 814   -117 E   931  
20 E 738 701   -3 E   704  
21 E 257 244    E      
22 E 198 188   -71 E   259  
The calculated vibrational frequencies were scaled by 0.9502

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.