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Compare vibrational frequencies in CCCBDB for C2H3NO3 (Oxamic acid)

wB97X-D/cc-pVDZ

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' 3843 3661   321 A'   3340  
2 A' 3784 3605   376 A'   3229  
3 A' 3638 3466   866 A'   2600 hydrogen bonded
4 A' 1863 1775   34 A'   1741  
5 A' 1847 1759   72 A'   1687  
6 A' 1608 1532   -63 A'   1595  
7 A' 1456 1387   -83 A'   1470  
8 A' 1339 1275   -85 A'   1360  
9 A' 1214 1156   -85 A'   1241  
10 A' 1097 1045   -39 A'   1084  
11 A' 790 753   -78 A'   831  
12 A' 617 588   -99 A'   687  
13 A' 533 507   -49 A'   556  
14 A' 410 390   -65 A'   455  
15 A' 260 248   -80 A'   328  
16 A" 832 792   -192 A"   984  
17 A" 673 641   -174 A"   815  
18 A" 627 597   -148 A"   745  
19 A" 447 425   -56 A"   481  
20 A" 371 354   39 A"   315  
21 A" 63 60   -102 A"   162  
The calculated vibrational frequencies were scaled by 0.9526

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.