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

Compare vibrational frequencies in CCCBDB for C4H4N2 (Pyridazine)

HF/STO-3G

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A1 3063 0 A1 3063  
2 A1 3036 -7 A1 3043  
3 A1 1533 -39 A1 1572  
4 A1 1375 -39 A1 1414  
5 A1 1092 -191 A1 1283  
6 A1 1028 -132 A1 1160  
7 A1 969 -94 A1 1063  
8 A1 794 -170 A1 964  
9 A1 606 -13 A1 619  
10 A2 981 45 A2 936  
11 A2 892 29 A2 863  
12 A2 700 -51 A2 751  
13 A2 356 -65 A2 421  
14 B1 930   B1   760 reassinged to mode 15
15 B1 722 -38 B1 760 696 questionable
16 B1 369 -1 B1 370  
17 B2 3049 -26 B2 3075  
18 B2 3028 -15 B2 3043  
19 B2 1526 -39 B2 1565  
20 B2 1354 -90 B2 1444  
21 B2 1196 -43 B2 1239  
22 B2 1012 -40 B2 1052  
23 B2 943 -66 B2 1009  
24 B2 572 -92 B2 664  
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.