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

Compare vibrational frequencies in CCCBDB for C4H4O (Furan)

MP2/CEP-121G*

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A1 3155 -6 A1 3161  
2 A1 3129 -11 A1 3140  
3 A1 1428 -63 A1 1491  
4 A1 1348 -36 A1 1384  
5 A1 1103 -37 A1 1140  
6 A1 1051 -15 A1 1066  
7 A1 975 -20 A1 995  
8 A1 825 -46 A1 871  
9 A2 675 -163 A2 838  
10 A2 612 -116 A2 728  
11 A2 385 -218 A2 603  
12 B1 720 -143 B1 863  
13 B1 691 -54 B1 745  
14 B1 578 -35 B1 613  
15 B2 3150 -4 B2 3154  
16 B2 3119 -10 B2 3129  
17 B2 1489 -67 B2 1556  
18 B2 1216 -51 B2 1267  
19 B2 1185 5 B2 1180  
20 B2 1015 -26 B2 1040  
21 B2 835 -38 B2 873  
The calculated vibrational frequencies were scaled by 0.9528

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.