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

B2PLYP/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 3152 2992           
2 A1 3068 2912   21 A1   2891  
3 A1 1535 1457   36 A1   1421  
4 A1 1398 1327   23 A1   1304  
5 A1 1013 961   15 A1   946  
6 A1 658 624   -26 A1   650  
7 A1 296 281   -18 A1   299  
8 A2 3166 3005    A2      
9 A2 1510 1433   12 A2   1421  
10 A2 820 778    A2      
11 A2 182 172    A2      
12 E 3166 3005   39 E   2966  
13 E 3152 2992   40 E   2952  
14 E 3070 2914   23 E   2891  
15 E 1526 1448   27 E   1421  
16 E 1515 1438   17 E   1421  
17 E 1372 1303   11 E   1292  
18 E 993 943   -3 E   946  
19 E 872 827   -104 E   931  
20 E 718 681   -23 E   704  
21 E 252 240    E      
22 E 208 197   -62 E   259  
The calculated vibrational frequencies were scaled by 0.9492

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.