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Compare vibrational frequencies in CCCBDB for C2H3NO3 (Oxamic acid)

HF/CEP-121G*

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' 4079 3685   345 A'   3340  
2 A' 3969 3586   357 A'   3229  
3 A' 3826 3456   856 A'   2600 hydrogen bonded
4 A' 1998 1805   64 A'   1741  
5 A' 1951 1763   76 A'   1687  
6 A' 1773 1602   7 A'   1595  
7 A' 1564 1413   -57 A'   1470  
8 A' 1423 1286   -74 A'   1360  
9 A' 1319 1192   -49 A'   1241  
10 A' 1193 1078   -6 A'   1084  
11 A' 849 767   -64 A'   831  
12 A' 660 597   -90 A'   687  
13 A' 570 515   -41 A'   556  
14 A' 444 401   -54 A'   455  
15 A' 289 261   -67 A'   328  
16 A" 915 826   -158 A"   984  
17 A" 700 633   -182 A"   815  
18 A" 645 583   -162 A"   745  
19 A" 472 426   -55 A"   481  
20 A" 251 227   -88 A"   315  
21 A" 20 18   -144 A"   162  
The calculated vibrational frequencies were scaled by 0.9034

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.