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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 3162 3162           
2 A1 3072 3072   181 A1   2891  
3 A1 1521 1521   100 A1   1421  
4 A1 1384 1384   80 A1   1304  
5 A1 1006 1006   60 A1   946  
6 A1 658 658   8 A1   650  
7 A1 296 296   -3 A1   299  
8 A2 3175 3175    A2      
9 A2 1496 1496   75 A2   1421  
10 A2 812 812    A2      
11 A2 180 180    A2      
12 E 3175 3175   209 E   2966  
13 E 3162 3162   210 E   2952  
14 E 3074 3074   183 E   2891  
15 E 1513 1513   92 E   1421  
16 E 1500 1500   79 E   1421  
17 E 1358 1358   66 E   1292  
18 E 986 986   40 E   946  
19 E 865 865   -66 E   931  
20 E 717 717   13 E   704  
21 E 253 253    E      
22 E 209 209   -50 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.