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Compare vibrational frequencies in CCCBDB for C2H3NO3 (Oxamic acid)

HF/6-311+G(3df,2p)

18 11 26 13 55
Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency Scaled
Frequency
Harm.
diff
Fund.
diff
Symmetry Harmonic
Frequency
Fundamental
Frequency
Comment
1 A' 4117 3741   401 A'   3340  
2 A' 3967 3604   375 A'   3229  
3 A' 3829 3479   879 A'   2600 hydrogen bonded
4 A' 2010 1826   85 A'   1741  
5 A' 1972 1792   105 A'   1687  
6 A' 1761 1600   5 A'   1595  
7 A' 1562 1420   -50 A'   1470  
8 A' 1421 1291   -69 A'   1360  
9 A' 1310 1190   -51 A'   1241  
10 A' 1197 1088   4 A'   1084  
11 A' 854 776   -55 A'   831  
12 A' 675 613   -74 A'   687  
13 A' 577 524   -32 A'   556  
14 A' 450 409   -46 A'   455  
15 A' 294 267   -61 A'   328  
16 A" 944 857   -127 A"   984  
17 A" 703 638   -177 A"   815  
18 A" 642 583   -162 A"   745  
19 A" 483 439   -42 A"   481  
20 A" 350 318   3 A"   315  
21 A" 54 49   -113 A"   162  
The calculated vibrational frequencies were scaled by 0.9086

See section Calculated; Vibrations; Scale Factors; Set scaling factors to change the scale factors used here.
See section Calculated; Vibrations; Scale Factors; Calculate a scale factor to determine the least squares best scaling factor.
See section Calculated; Vibrations; Scale Factors; Scale factor uncertainty for information on where the above scaling factor is from.