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IV.C.1. (XIII.D.1.)

Compare vibrational frequencies in CCCBDB for CH3CF3 (Ethane, 1,1,1-trifluoro-)

MP2/STO-3G

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A1 2951 -23 A1 2974  
2 A1 1378 -34 A1 1412  
3 A1 1146 -132 A1 1278  
4 A1 742 -86 A1 828  
5 A1 481 -125 A1 606  
6 A2 117 -108 A2 225  
7 E 3115 73 E 3042  
8 E 1485 35 E 1450  
9 E 1253 23 E 1230  
10 E 929 -35 E 964  
11 E 432 -108 E 540  
12 E 295 -70 E 365  
The calculated vibrational frequencies were scaled by 0.8719

See section XIII.C.3 List or set vibrational scaling factors to change the scale factors used here.
See section III.B.3.c Calculate a vibrational scaling factor for a set of molecules to determine the least squares best scaling factor.
See section III.B.3.b List of vibrational scaling factors and their uncertainties for information on where the above scaling factor is from.