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

Compare vibrational frequencies in CCCBDB for C5H5N (Pyridine)

MP2/6-31+G**

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A1 3088 -7 A1 3094  
2 A1 3065 -8 A1 3073  
3 A1 3055 24 A1 3030  
4 A1 1553 -31 A1 1584  
5 A1 1436 -47 A1 1483  
6 A1 1184 -34 A1 1218  
7 A1 1039 -33 A1 1072  
8 A1 990 -42 A1 1032  
9 A1 953 -39 A1 991  
10 A1 572 -29 A1 601  
11 A2 884 -96 A2 980  
12 A2 822 -58 A2 880  
13 A2 338 -35 A2 373  
14 B1 870 -137 B1 1007  
15 B1 850 -86 B1 937  
16 B1 680 -64 B1 744  
17 B1 563 -137 B1 700  
18 B1 354 -49 B1 403  
19 B2 3081 -6 B2 3087  
20 B2 3052 9 B2 3042  
21 B2 1544 -36 B2 1581  
22 B2 1404 -38 B2 1442  
23 B2 1328 -35 B2 1362  
24 B2 1315 88 B2 1227  
25 B2 1123 -21 B2 1143  
26 B2 1028 -51 B2 1079  
27 B2 625 -27 B2 652  
The calculated vibrational frequencies were scaled by 0.9406

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.