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

Compare vibrational frequencies in CCCBDB for C5H5N (Pyridine)

HF/STO-3G

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A1 3062 -32 A1 3094  
2 A1 3041 -31 A1 3073  
3 A1 3022 -8 A1 3030  
4 A1 1557 -27 A1 1584  
5 A1 1435 -49 A1 1483  
6 A1 1143 -75 A1 1218  
7 A1 1019 -53 A1 1072  
8 A1 973 -59 A1 1032  
9 A1 929 -62 A1 991  
10 A1 564 -37 A1 601  
11 A2 964 -16 A2 980  
12 A2 864 -16 A2 880  
13 A2 376 3 A2 373  
14 B1 984 -23 B1 1007  
15 B1 908 -29 B1 937  
16 B1 704 -40 B1 744  
17 B1 688 -12 B1 700  
18 B1 388 -16 B1 403  
19 B2 3055 -32 B2 3087  
20 B2 3026 -17 B2 3042  
21 B2 1548 -32 B2 1581  
22 B2 1375 -67 B2 1442  
23 B2 1272 -90 B2 1362  
24 B2 1105 -122 B2 1227  
25 B2 1013 -130 B2 1143  
26 B2 883 -196 B2 1079  
27 B2 603 -49 B2 652  
The calculated vibrational frequencies were scaled by 0.8165

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.