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

Compare vibrational frequencies in CCCBDB for C5H5N (Pyridine)

MP2/CEP-121G

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A1 3093 -2 A1 3094  
2 A1 3074 1 A1 3073  
3 A1 3054 24 A1 3030  
4 A1 1526 -58 A1 1584  
5 A1 1432 -52 A1 1483  
6 A1 1193 -25 A1 1218  
7 A1 1041 -31 A1 1072  
8 A1 995 -36 A1 1032  
9 A1 915 -76 A1 991  
10 A1 588 -13 A1 601  
11 A2 824 -156 A2 980  
12 A2 713 -167 A2 880  
13 A2 330 -43 A2 373  
14 B1 809 -198 B1 1007  
15 B1 770 -166 B1 937  
16 B1 677 -67 B1 744  
17 B1 480 -220 B1 700  
18 B1 244 -160 B1 403  
19 B2 3083 -4 B2 3087  
20 B2 3064 22 B2 3042  
21 B2 1517 -63 B2 1581  
22 B2 1399 -42 B2 1442  
23 B2 1342 -20 B2 1362  
24 B2 1228 1 B2 1227  
25 B2 1151 8 B2 1143  
26 B2 1020 -59 B2 1079  
27 B2 632 -20 B2 652  
The calculated vibrational frequencies were scaled by 0.976

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.