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

MP4/cc-pVTZ

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 3110 3014           
2 A1 3019 2926   35 A1   2891  
3 A1 1484 1439   18 A1   1421  
4 A1 1332 1291   -13 A1   1304  
5 A1 970 940   -6 A1   946  
6 A1 662 642   -8 A1   650  
7 A1 287 278   -21 A1   299  
8 A1 169 164    A2      
9 A2 3125 3028   1607 A2   1421  
10 A2 1461 1416    A2      
11 A2 784 760    A2      
12 E 3125 3029   63 E   2966  
13 E 3111 3015   63 E   2952  
14 E 3022 2929   38 E   2891  
15 E 1477 1431   10 E   1421  
16 E 1465 1420   -1 E   1421  
17 E 1309 1268   -24 E   1292  
18 E 955 926   -20 E   946  
19 E 838 812   -119 E   931  
20 E 719 696   -8 E   704  
21 E 249 242    E      
22 E 203 197   -62 E   259  
The calculated vibrational frequencies were scaled by 0.9692

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.