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

B2PLYP=FULL/6-31G

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 3160 3160           
2 A1 3064 3064   173 A1   2891  
3 A1 1545 1545   124 A1   1421  
4 A1 1408 1408   104 A1   1304  
5 A1 1025 1025   79 A1   946  
6 A1 613 613   -37 A1   650  
7 A1 279 279   -20 A1   299  
8 A2 3175 3175    A2      
9 A2 1521 1521   100 A2   1421  
10 A2 857 857    A2      
11 A2 161 161    A2      
12 E 3176 3176   210 E   2966  
13 E 3160 3160   208 E   2952  
14 E 3066 3066   175 E   2891  
15 E 1536 1536   115 E   1421  
16 E 1528 1528   107 E   1421  
17 E 1381 1381   89 E   1292  
18 E 1012 1012   66 E   946  
19 E 896 896   -35 E   931  
20 E 678 678   -26 E   704  
21 E 240 240    E      
22 E 187 187   -72 E   259  
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.