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

HF/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 3235 2940           
2 A1 3161 2872   -19 A1   2891  
3 A1 1599 1453   32 A1   1421  
4 A1 1465 1331   27 A1   1304  
5 A1 1059 962   16 A1   946  
6 A1 687 624   -26 A1   650  
7 A1 310 281   -18 A1   299  
8 A2 3241 2945    A2      
9 A2 1579 1435   14 A2   1421  
10 A2 857 779    A2      
11 A2 179 163    A2      
12 E 3243 2947   -19 E   2966  
13 E 3233 2937   -15 E   2952  
14 E 3160 2871   -20 E   2891  
15 E 1593 1448   27 E   1421  
16 E 1582 1437   16 E   1421  
17 E 1443 1311   19 E   1292  
18 E 1039 944   -2 E   946  
19 E 911 827   -104 E   931  
20 E 749 681   -23 E   704  
21 E 263 239    E      
22 E 214 194   -65 E   259  
The calculated vibrational frequencies were scaled by 0.9086

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.